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/Denv2_dominio2_RNAco-12540cdf/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 168 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 168 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: 845
n_atoms_counter: 845
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 168.000000 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/Denv2_dominio2_RNAco-12540cdf/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 168 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 168 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: 845
n_atoms_counter: 845
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 168.000000 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/Denv2_dominio2_RNAco-12540cdf/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 168 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 168 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: 845
n_atoms_counter: 845
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 168.000000 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/Denv2_dominio2_RNAco-12540cdf/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 168 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 168 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: 845
n_atoms_counter: 845
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 168.000000 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/Denv2_dominio2_RNAco-12540cdf/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 168 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 168 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: 845
n_atoms_counter: 845
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 168.000000 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/Denv2_dominio2_RNAco-12540cdf/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 168 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 168 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: 845
n_atoms_counter: 845
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 168.000000 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/Denv2_dominio2_RNAco-12540cdf/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 168 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 168 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: 845
n_atoms_counter: 845
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 168.000000 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/Denv2_dominio2_RNAco-12540cdf/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 168 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 168 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: 845
n_atoms_counter: 845
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 168.000000 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/Denv2_dominio2_RNAco-12540cdf/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 168 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 168 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: 845
n_atoms_counter: 845
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 168.000000 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/Denv2_dominio2_RNAco-12540cdf/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 168 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 168 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: 845
n_atoms_counter: 845
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 168.000000 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: -1955.469298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.469298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.469298 (E_RNA)
where:
Base-Base interactions energy: -1372.739
where: short stacking energy: -544.282
Base-Backbone interact. energy: -3.082
local terms energy: -579.647964
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -131.309
flat angles C4'-P-C4' energy: -125.015
flat angles P-C4'-P energy: -78.560
tors. eta vs tors. theta energy: -150.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -1955.469298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.469298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.469298 (E_RNA)
where:
Base-Base interactions energy: -1372.739
where: short stacking energy: -544.282
Base-Backbone interact. energy: -3.082
local terms energy: -579.647964
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -131.309
flat angles C4'-P-C4' energy: -125.015
flat angles P-C4'-P energy: -78.560
tors. eta vs tors. theta energy: -150.312
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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -1955.469298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.469298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.469298 (E_RNA)
where:
Base-Base interactions energy: -1372.739
where: short stacking energy: -544.282
Base-Backbone interact. energy: -3.082
local terms energy: -579.647964
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -131.309
flat angles C4'-P-C4' energy: -125.015
flat angles P-C4'-P energy: -78.560
tors. eta vs tors. theta energy: -150.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -1955.469298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.469298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.469298 (E_RNA)
where:
Base-Base interactions energy: -1372.739
where: short stacking energy: -544.282
Base-Backbone interact. energy: -3.082
local terms energy: -579.647964
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -131.309
flat angles C4'-P-C4' energy: -125.015
flat angles P-C4'-P energy: -78.560
tors. eta vs tors. theta energy: -150.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -1955.469298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.469298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.469298 (E_RNA)
where:
Base-Base interactions energy: -1372.739
where: short stacking energy: -544.282
Base-Backbone interact. energy: -3.082
local terms energy: -579.647964
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -131.309
flat angles C4'-P-C4' energy: -125.015
flat angles P-C4'-P energy: -78.560
tors. eta vs tors. theta energy: -150.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -1955.469298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.469298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.469298 (E_RNA)
where:
Base-Base interactions energy: -1372.739
where: short stacking energy: -544.282
Base-Backbone interact. energy: -3.082
local terms energy: -579.647964
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -131.309
flat angles C4'-P-C4' energy: -125.015
flat angles P-C4'-P energy: -78.560
tors. eta vs tors. theta energy: -150.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -1955.469298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.469298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.469298 (E_RNA)
where:
Base-Base interactions energy: -1372.739
where: short stacking energy: -544.282
Base-Backbone interact. energy: -3.082
local terms energy: -579.647964
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -131.309
flat angles C4'-P-C4' energy: -125.015
flat angles P-C4'-P energy: -78.560
tors. eta vs tors. theta energy: -150.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -1955.469298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.469298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.469298 (E_RNA)
where:
Base-Base interactions energy: -1372.739
where: short stacking energy: -544.282
Base-Backbone interact. energy: -3.082
local terms energy: -579.647964
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -131.309
flat angles C4'-P-C4' energy: -125.015
flat angles P-C4'-P energy: -78.560
tors. eta vs tors. theta energy: -150.312
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -1955.469298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.469298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.469298 (E_RNA)
where:
Base-Base interactions energy: -1372.739
where: short stacking energy: -544.282
Base-Backbone interact. energy: -3.082
local terms energy: -579.647964
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -131.309
flat angles C4'-P-C4' energy: -125.015
flat angles P-C4'-P energy: -78.560
tors. eta vs tors. theta energy: -150.312
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: 1
Temperature: 1.350000
Total energy: -1955.469298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.469298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.469298 (E_RNA)
where:
Base-Base interactions energy: -1372.739
where: short stacking energy: -544.282
Base-Backbone interact. energy: -3.082
local terms energy: -579.647964
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -131.309
flat angles C4'-P-C4' energy: -125.015
flat angles P-C4'-P energy: -78.560
tors. eta vs tors. theta energy: -150.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -1962.809081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.809081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.809081 (E_RNA)
where:
Base-Base interactions energy: -1387.184
where: short stacking energy: -542.238
Base-Backbone interact. energy: -1.179
local terms energy: -574.445744
where:
bonds (distance) C4'-P energy: -106.595
bonds (distance) P-C4' energy: -98.579
flat angles C4'-P-C4' energy: -130.903
flat angles P-C4'-P energy: -86.087
tors. eta vs tors. theta energy: -152.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -1952.168695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.168695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.168695 (E_RNA)
where:
Base-Base interactions energy: -1370.579
where: short stacking energy: -543.085
Base-Backbone interact. energy: -3.396
local terms energy: -578.192873
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -131.538
flat angles C4'-P-C4' energy: -124.425
flat angles P-C4'-P energy: -77.711
tors. eta vs tors. theta energy: -150.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -1952.790319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.790319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.790319 (E_RNA)
where:
Base-Base interactions energy: -1377.970
where: short stacking energy: -546.901
Base-Backbone interact. energy: -3.382
local terms energy: -571.438931
where:
bonds (distance) C4'-P energy: -89.902
bonds (distance) P-C4' energy: -128.132
flat angles C4'-P-C4' energy: -123.504
flat angles P-C4'-P energy: -79.398
tors. eta vs tors. theta energy: -150.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -1951.154502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.154502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.154502 (E_RNA)
where:
Base-Base interactions energy: -1369.565
where: short stacking energy: -543.084
Base-Backbone interact. energy: -3.396
local terms energy: -578.192873
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -131.538
flat angles C4'-P-C4' energy: -124.425
flat angles P-C4'-P energy: -77.711
tors. eta vs tors. theta energy: -150.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -1951.154820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.154820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.154820 (E_RNA)
where:
Base-Base interactions energy: -1369.565
where: short stacking energy: -543.084
Base-Backbone interact. energy: -3.397
local terms energy: -578.192873
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -131.538
flat angles C4'-P-C4' energy: -124.425
flat angles P-C4'-P energy: -77.711
tors. eta vs tors. theta energy: -150.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -1950.678895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.678895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.678895 (E_RNA)
where:
Base-Base interactions energy: -1369.089
where: short stacking energy: -543.083
Base-Backbone interact. energy: -3.397
local terms energy: -578.192873
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -131.538
flat angles C4'-P-C4' energy: -124.425
flat angles P-C4'-P energy: -77.711
tors. eta vs tors. theta energy: -150.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -1951.319728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.319728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.319728 (E_RNA)
where:
Base-Base interactions energy: -1369.730
where: short stacking energy: -543.752
Base-Backbone interact. energy: -3.397
local terms energy: -578.192873
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -131.538
flat angles C4'-P-C4' energy: -124.425
flat angles P-C4'-P energy: -77.711
tors. eta vs tors. theta energy: -150.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -1950.936450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.936450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.936450 (E_RNA)
where:
Base-Base interactions energy: -1369.347
where: short stacking energy: -543.752
Base-Backbone interact. energy: -3.397
local terms energy: -578.192873
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -131.538
flat angles C4'-P-C4' energy: -124.425
flat angles P-C4'-P energy: -77.711
tors. eta vs tors. theta energy: -150.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -1950.101209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.101209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.101209 (E_RNA)
where:
Base-Base interactions energy: -1368.512
where: short stacking energy: -543.751
Base-Backbone interact. energy: -3.397
local terms energy: -578.192873
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -131.538
flat angles C4'-P-C4' energy: -124.425
flat angles P-C4'-P energy: -77.711
tors. eta vs tors. theta energy: -150.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -1950.788366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.788366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.788366 (E_RNA)
where:
Base-Base interactions energy: -1369.199
where: short stacking energy: -543.750
Base-Backbone interact. energy: -3.397
local terms energy: -578.192873
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -131.538
flat angles C4'-P-C4' energy: -124.425
flat angles P-C4'-P energy: -77.711
tors. eta vs tors. theta energy: -150.066
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: 3
Temperature: 0.900000
Total energy: -1941.398077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.398077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.398077 (E_RNA)
where:
Base-Base interactions energy: -1381.061
where: short stacking energy: -544.819
Base-Backbone interact. energy: -1.211
local terms energy: -559.126353
where:
bonds (distance) C4'-P energy: -112.193
bonds (distance) P-C4' energy: -96.546
flat angles C4'-P-C4' energy: -122.385
flat angles P-C4'-P energy: -77.230
tors. eta vs tors. theta energy: -150.772
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: 3
Temperature: 0.950000
Total energy: -1893.838599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.838599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.838599 (E_RNA)
where:
Base-Base interactions energy: -1345.537
where: short stacking energy: -542.481
Base-Backbone interact. energy: -3.603
local terms energy: -544.698295
where:
bonds (distance) C4'-P energy: -84.924
bonds (distance) P-C4' energy: -110.962
flat angles C4'-P-C4' energy: -121.174
flat angles P-C4'-P energy: -77.910
tors. eta vs tors. theta energy: -149.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -1791.864275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.864275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.864275 (E_RNA)
where:
Base-Base interactions energy: -1272.490
where: short stacking energy: -509.193
Base-Backbone interact. energy: -3.315
local terms energy: -516.059193
where:
bonds (distance) C4'-P energy: -94.733
bonds (distance) P-C4' energy: -106.979
flat angles C4'-P-C4' energy: -106.341
flat angles P-C4'-P energy: -67.369
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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -1743.991614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.991614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.991614 (E_RNA)
where:
Base-Base interactions energy: -1217.739
where: short stacking energy: -498.852
Base-Backbone interact. energy: -3.279
local terms energy: -522.973204
where:
bonds (distance) C4'-P energy: -78.219
bonds (distance) P-C4' energy: -101.675
flat angles C4'-P-C4' energy: -113.753
flat angles P-C4'-P energy: -83.190
tors. eta vs tors. theta energy: -146.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -1699.214672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.214672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.214672 (E_RNA)
where:
Base-Base interactions energy: -1205.864
where: short stacking energy: -495.108
Base-Backbone interact. energy: 1.509
local terms energy: -494.860039
where:
bonds (distance) C4'-P energy: -89.261
bonds (distance) P-C4' energy: -88.608
flat angles C4'-P-C4' energy: -117.404
flat angles P-C4'-P energy: -61.567
tors. eta vs tors. theta energy: -138.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -1606.908380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.908380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.908380 (E_RNA)
where:
Base-Base interactions energy: -1114.407
where: short stacking energy: -454.617
Base-Backbone interact. energy: -1.564
local terms energy: -490.937011
where:
bonds (distance) C4'-P energy: -87.793
bonds (distance) P-C4' energy: -96.499
flat angles C4'-P-C4' energy: -102.630
flat angles P-C4'-P energy: -80.059
tors. eta vs tors. theta energy: -123.957
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: 3
Temperature: 1.200000
Total energy: -1512.622396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.622396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.622396 (E_RNA)
where:
Base-Base interactions energy: -1054.314
where: short stacking energy: -416.682
Base-Backbone interact. energy: 4.434
local terms energy: -462.742454
where:
bonds (distance) C4'-P energy: -91.446
bonds (distance) P-C4' energy: -85.870
flat angles C4'-P-C4' energy: -105.125
flat angles P-C4'-P energy: -61.096
tors. eta vs tors. theta energy: -119.204
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: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -1401.770517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.770517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.770517 (E_RNA)
where:
Base-Base interactions energy: -970.985
where: short stacking energy: -386.492
Base-Backbone interact. energy: -4.098
local terms energy: -426.687563
where:
bonds (distance) C4'-P energy: -92.462
bonds (distance) P-C4' energy: -83.024
flat angles C4'-P-C4' energy: -97.683
flat angles P-C4'-P energy: -57.724
tors. eta vs tors. theta energy: -95.794
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: 3
Temperature: 1.300000
Total energy: -1273.590715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.590715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.590715 (E_RNA)
where:
Base-Base interactions energy: -878.974
where: short stacking energy: -362.735
Base-Backbone interact. energy: 5.362
local terms energy: -399.978936
where:
bonds (distance) C4'-P energy: -84.585
bonds (distance) P-C4' energy: -76.598
flat angles C4'-P-C4' energy: -86.680
flat angles P-C4'-P energy: -63.504
tors. eta vs tors. theta energy: -88.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -1242.198268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.198268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.198268 (E_RNA)
where:
Base-Base interactions energy: -876.996
where: short stacking energy: -346.124
Base-Backbone interact. energy: -1.830
local terms energy: -363.372151
where:
bonds (distance) C4'-P energy: -76.742
bonds (distance) P-C4' energy: -59.576
flat angles C4'-P-C4' energy: -82.925
flat angles P-C4'-P energy: -62.130
tors. eta vs tors. theta energy: -81.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1898.666457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.666457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.666457 (E_RNA)
where:
Base-Base interactions energy: -1363.002
where: short stacking energy: -551.996
Base-Backbone interact. energy: 0.531
local terms energy: -536.195997
where:
bonds (distance) C4'-P energy: -98.164
bonds (distance) P-C4' energy: -96.902
flat angles C4'-P-C4' energy: -113.303
flat angles P-C4'-P energy: -77.773
tors. eta vs tors. theta energy: -150.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1849.154518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.154518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.154518 (E_RNA)
where:
Base-Base interactions energy: -1328.495
where: short stacking energy: -528.628
Base-Backbone interact. energy: -3.230
local terms energy: -517.429680
where:
bonds (distance) C4'-P energy: -89.765
bonds (distance) P-C4' energy: -93.089
flat angles C4'-P-C4' energy: -114.185
flat angles P-C4'-P energy: -78.258
tors. eta vs tors. theta energy: -142.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -1778.116543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.116543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.116543 (E_RNA)
where:
Base-Base interactions energy: -1267.309
where: short stacking energy: -499.156
Base-Backbone interact. energy: -1.268
local terms energy: -509.539504
where:
bonds (distance) C4'-P energy: -84.801
bonds (distance) P-C4' energy: -106.902
flat angles C4'-P-C4' energy: -105.761
flat angles P-C4'-P energy: -69.144
tors. eta vs tors. theta energy: -142.931
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: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -1752.386707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.386707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.386707 (E_RNA)
where:
Base-Base interactions energy: -1236.207
where: short stacking energy: -514.523
Base-Backbone interact. energy: 1.666
local terms energy: -517.845438
where:
bonds (distance) C4'-P energy: -100.907
bonds (distance) P-C4' energy: -90.198
flat angles C4'-P-C4' energy: -111.229
flat angles P-C4'-P energy: -75.255
tors. eta vs tors. theta energy: -140.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -1648.758602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.758602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.758602 (E_RNA)
where:
Base-Base interactions energy: -1162.088
where: short stacking energy: -475.843
Base-Backbone interact. energy: -0.598
local terms energy: -486.072816
where:
bonds (distance) C4'-P energy: -90.100
bonds (distance) P-C4' energy: -94.483
flat angles C4'-P-C4' energy: -102.705
flat angles P-C4'-P energy: -71.001
tors. eta vs tors. theta energy: -127.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -1567.513063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.513063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.513063 (E_RNA)
where:
Base-Base interactions energy: -1110.345
where: short stacking energy: -471.049
Base-Backbone interact. energy: 3.400
local terms energy: -460.568149
where:
bonds (distance) C4'-P energy: -92.195
bonds (distance) P-C4' energy: -82.264
flat angles C4'-P-C4' energy: -100.497
flat angles P-C4'-P energy: -57.222
tors. eta vs tors. theta energy: -128.391
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: 4
Temperature: 1.200000
Total energy: -1425.054183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.054183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.054183 (E_RNA)
where:
Base-Base interactions energy: -978.704
where: short stacking energy: -403.514
Base-Backbone interact. energy: -2.647
local terms energy: -443.703388
where:
bonds (distance) C4'-P energy: -95.114
bonds (distance) P-C4' energy: -91.370
flat angles C4'-P-C4' energy: -96.870
flat angles P-C4'-P energy: -57.781
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: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -1346.962666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.962666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.962666 (E_RNA)
where:
Base-Base interactions energy: -935.024
where: short stacking energy: -343.472
Base-Backbone interact. energy: 0.296
local terms energy: -412.234773
where:
bonds (distance) C4'-P energy: -73.193
bonds (distance) P-C4' energy: -91.876
flat angles C4'-P-C4' energy: -90.736
flat angles P-C4'-P energy: -66.458
tors. eta vs tors. theta energy: -89.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -1240.053461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.053461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.053461 (E_RNA)
where:
Base-Base interactions energy: -825.453
where: short stacking energy: -337.520
Base-Backbone interact. energy: 2.112
local terms energy: -416.711799
where:
bonds (distance) C4'-P energy: -106.307
bonds (distance) P-C4' energy: -82.675
flat angles C4'-P-C4' energy: -93.396
flat angles P-C4'-P energy: -67.625
tors. eta vs tors. theta energy: -66.708
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: 4
Temperature: 1.350000
Total energy: -1219.975708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.975708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.975708 (E_RNA)
where:
Base-Base interactions energy: -855.876
where: short stacking energy: -342.570
Base-Backbone interact. energy: 2.851
local terms energy: -366.950932
where:
bonds (distance) C4'-P energy: -65.367
bonds (distance) P-C4' energy: -95.523
flat angles C4'-P-C4' energy: -87.754
flat angles P-C4'-P energy: -34.185
tors. eta vs tors. theta energy: -84.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1906.704013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.704013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.704013 (E_RNA)
where:
Base-Base interactions energy: -1348.043
where: short stacking energy: -540.446
Base-Backbone interact. energy: 2.346
local terms energy: -561.006857
where:
bonds (distance) C4'-P energy: -106.581
bonds (distance) P-C4' energy: -105.893
flat angles C4'-P-C4' energy: -121.001
flat angles P-C4'-P energy: -78.532
tors. eta vs tors. theta energy: -148.999
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: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1867.693521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.693521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.693521 (E_RNA)
where:
Base-Base interactions energy: -1311.193
where: short stacking energy: -541.020
Base-Backbone interact. energy: -2.368
local terms energy: -554.132492
where:
bonds (distance) C4'-P energy: -101.201
bonds (distance) P-C4' energy: -102.009
flat angles C4'-P-C4' energy: -121.366
flat angles P-C4'-P energy: -80.810
tors. eta vs tors. theta energy: -148.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1786.611895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.611895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.611895 (E_RNA)
where:
Base-Base interactions energy: -1263.451
where: short stacking energy: -491.810
Base-Backbone interact. energy: 3.344
local terms energy: -526.505013
where:
bonds (distance) C4'-P energy: -112.141
bonds (distance) P-C4' energy: -92.330
flat angles C4'-P-C4' energy: -117.604
flat angles P-C4'-P energy: -68.605
tors. eta vs tors. theta energy: -135.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -1693.382310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.382310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.382310 (E_RNA)
where:
Base-Base interactions energy: -1177.838
where: short stacking energy: -462.135
Base-Backbone interact. energy: 1.147
local terms energy: -516.691528
where:
bonds (distance) C4'-P energy: -100.943
bonds (distance) P-C4' energy: -110.468
flat angles C4'-P-C4' energy: -120.358
flat angles P-C4'-P energy: -71.505
tors. eta vs tors. theta energy: -113.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -1565.812869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.812869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.812869 (E_RNA)
where:
Base-Base interactions energy: -1082.647
where: short stacking energy: -482.275
Base-Backbone interact. energy: -1.628
local terms energy: -481.537815
where:
bonds (distance) C4'-P energy: -80.743
bonds (distance) P-C4' energy: -98.615
flat angles C4'-P-C4' energy: -103.420
flat angles P-C4'-P energy: -65.556
tors. eta vs tors. theta energy: -133.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -1555.940470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.940470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.940470 (E_RNA)
where:
Base-Base interactions energy: -1087.358
where: short stacking energy: -441.726
Base-Backbone interact. energy: 0.399
local terms energy: -468.982363
where:
bonds (distance) C4'-P energy: -74.638
bonds (distance) P-C4' energy: -97.736
flat angles C4'-P-C4' energy: -103.703
flat angles P-C4'-P energy: -76.571
tors. eta vs tors. theta energy: -116.335
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: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -1452.965400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.965400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.965400 (E_RNA)
where:
Base-Base interactions energy: -1030.944
where: short stacking energy: -425.453
Base-Backbone interact. energy: 0.303
local terms energy: -422.324305
where:
bonds (distance) C4'-P energy: -87.554
bonds (distance) P-C4' energy: -76.192
flat angles C4'-P-C4' energy: -98.906
flat angles P-C4'-P energy: -61.825
tors. eta vs tors. theta energy: -97.846
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: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -1364.386336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.386336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.386336 (E_RNA)
where:
Base-Base interactions energy: -954.456
where: short stacking energy: -384.469
Base-Backbone interact. energy: -1.900
local terms energy: -408.030777
where:
bonds (distance) C4'-P energy: -72.803
bonds (distance) P-C4' energy: -77.728
flat angles C4'-P-C4' energy: -97.740
flat angles P-C4'-P energy: -68.094
tors. eta vs tors. theta energy: -91.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -1213.940829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.940829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.940829 (E_RNA)
where:
Base-Base interactions energy: -854.893
where: short stacking energy: -350.814
Base-Backbone interact. energy: -0.072
local terms energy: -358.976349
where:
bonds (distance) C4'-P energy: -69.645
bonds (distance) P-C4' energy: -79.078
flat angles C4'-P-C4' energy: -91.878
flat angles P-C4'-P energy: -46.643
tors. eta vs tors. theta energy: -71.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -1211.442991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.442991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.442991 (E_RNA)
where:
Base-Base interactions energy: -851.881
where: short stacking energy: -338.722
Base-Backbone interact. energy: 3.939
local terms energy: -363.501318
where:
bonds (distance) C4'-P energy: -75.719
bonds (distance) P-C4' energy: -70.795
flat angles C4'-P-C4' energy: -91.548
flat angles P-C4'-P energy: -51.817
tors. eta vs tors. theta energy: -73.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1883.130689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.130689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.130689 (E_RNA)
where:
Base-Base interactions energy: -1329.373
where: short stacking energy: -556.520
Base-Backbone interact. energy: -1.413
local terms energy: -552.344818
where:
bonds (distance) C4'-P energy: -101.640
bonds (distance) P-C4' energy: -110.086
flat angles C4'-P-C4' energy: -112.806
flat angles P-C4'-P energy: -79.503
tors. eta vs tors. theta energy: -148.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1852.383743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.383743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.383743 (E_RNA)
where:
Base-Base interactions energy: -1311.651
where: short stacking energy: -533.187
Base-Backbone interact. energy: 1.175
local terms energy: -541.907738
where:
bonds (distance) C4'-P energy: -101.733
bonds (distance) P-C4' energy: -104.301
flat angles C4'-P-C4' energy: -116.473
flat angles P-C4'-P energy: -78.060
tors. eta vs tors. theta energy: -141.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1733.945729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.945729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.945729 (E_RNA)
where:
Base-Base interactions energy: -1212.137
where: short stacking energy: -490.018
Base-Backbone interact. energy: -3.609
local terms energy: -518.199859
where:
bonds (distance) C4'-P energy: -89.701
bonds (distance) P-C4' energy: -98.900
flat angles C4'-P-C4' energy: -117.909
flat angles P-C4'-P energy: -79.348
tors. eta vs tors. theta energy: -132.342
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: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -1680.879919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.879919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.879919 (E_RNA)
where:
Base-Base interactions energy: -1191.888
where: short stacking energy: -477.224
Base-Backbone interact. energy: 0.083
local terms energy: -489.075146
where:
bonds (distance) C4'-P energy: -80.441
bonds (distance) P-C4' energy: -101.314
flat angles C4'-P-C4' energy: -113.889
flat angles P-C4'-P energy: -65.799
tors. eta vs tors. theta energy: -127.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -1589.587645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.587645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.587645 (E_RNA)
where:
Base-Base interactions energy: -1097.542
where: short stacking energy: -461.217
Base-Backbone interact. energy: -1.676
local terms energy: -490.369721
where:
bonds (distance) C4'-P energy: -100.904
bonds (distance) P-C4' energy: -99.990
flat angles C4'-P-C4' energy: -101.504
flat angles P-C4'-P energy: -66.988
tors. eta vs tors. theta energy: -120.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -1457.160770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.160770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.160770 (E_RNA)
where:
Base-Base interactions energy: -1022.587
where: short stacking energy: -410.800
Base-Backbone interact. energy: 1.904
local terms energy: -436.478450
where:
bonds (distance) C4'-P energy: -86.508
bonds (distance) P-C4' energy: -92.274
flat angles C4'-P-C4' energy: -100.621
flat angles P-C4'-P energy: -60.566
tors. eta vs tors. theta energy: -96.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -1445.665179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.665179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.665179 (E_RNA)
where:
Base-Base interactions energy: -1001.214
where: short stacking energy: -426.080
Base-Backbone interact. energy: -3.348
local terms energy: -441.103327
where:
bonds (distance) C4'-P energy: -75.105
bonds (distance) P-C4' energy: -94.801
flat angles C4'-P-C4' energy: -88.080
flat angles P-C4'-P energy: -72.423
tors. eta vs tors. theta energy: -110.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -1321.612118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.612118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.612118 (E_RNA)
where:
Base-Base interactions energy: -922.508
where: short stacking energy: -371.090
Base-Backbone interact. energy: -1.067
local terms energy: -398.037262
where:
bonds (distance) C4'-P energy: -77.486
bonds (distance) P-C4' energy: -96.316
flat angles C4'-P-C4' energy: -87.492
flat angles P-C4'-P energy: -57.351
tors. eta vs tors. theta energy: -79.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -1226.517737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.517737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.517737 (E_RNA)
where:
Base-Base interactions energy: -850.577
where: short stacking energy: -350.979
Base-Backbone interact. energy: -3.569
local terms energy: -372.371248
where:
bonds (distance) C4'-P energy: -63.752
bonds (distance) P-C4' energy: -98.993
flat angles C4'-P-C4' energy: -86.959
flat angles P-C4'-P energy: -52.953
tors. eta vs tors. theta energy: -69.714
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: 6
Temperature: 1.350000
Total energy: -1216.198400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.198400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.198400 (E_RNA)
where:
Base-Base interactions energy: -820.672
where: short stacking energy: -318.851
Base-Backbone interact. energy: 3.157
local terms energy: -398.683581
where:
bonds (distance) C4'-P energy: -103.869
bonds (distance) P-C4' energy: -86.688
flat angles C4'-P-C4' energy: -83.138
flat angles P-C4'-P energy: -59.531
tors. eta vs tors. theta energy: -65.458
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: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1887.976699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.976699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.976699 (E_RNA)
where:
Base-Base interactions energy: -1341.745
where: short stacking energy: -533.208
Base-Backbone interact. energy: -3.861
local terms energy: -542.370138
where:
bonds (distance) C4'-P energy: -96.646
bonds (distance) P-C4' energy: -110.577
flat angles C4'-P-C4' energy: -113.790
flat angles P-C4'-P energy: -81.902
tors. eta vs tors. theta energy: -139.456
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: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1852.425430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.425430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.425430 (E_RNA)
where:
Base-Base interactions energy: -1305.419
where: short stacking energy: -535.655
Base-Backbone interact. energy: 0.557
local terms energy: -547.564176
where:
bonds (distance) C4'-P energy: -98.109
bonds (distance) P-C4' energy: -106.145
flat angles C4'-P-C4' energy: -120.856
flat angles P-C4'-P energy: -71.560
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: 4
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1731.565695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.565695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.565695 (E_RNA)
where:
Base-Base interactions energy: -1198.874
where: short stacking energy: -490.889
Base-Backbone interact. energy: -2.599
local terms energy: -530.092389
where:
bonds (distance) C4'-P energy: -96.990
bonds (distance) P-C4' energy: -100.925
flat angles C4'-P-C4' energy: -120.435
flat angles P-C4'-P energy: -77.195
tors. eta vs tors. theta energy: -134.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1677.408312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.408312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.408312 (E_RNA)
where:
Base-Base interactions energy: -1176.789
where: short stacking energy: -476.042
Base-Backbone interact. energy: -4.864
local terms energy: -495.755974
where:
bonds (distance) C4'-P energy: -79.867
bonds (distance) P-C4' energy: -103.282
flat angles C4'-P-C4' energy: -117.315
flat angles P-C4'-P energy: -71.227
tors. eta vs tors. theta energy: -124.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -1608.105830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.105830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.105830 (E_RNA)
where:
Base-Base interactions energy: -1120.343
where: short stacking energy: -473.841
Base-Backbone interact. energy: -3.151
local terms energy: -484.611638
where:
bonds (distance) C4'-P energy: -99.038
bonds (distance) P-C4' energy: -85.280
flat angles C4'-P-C4' energy: -101.342
flat angles P-C4'-P energy: -70.041
tors. eta vs tors. theta energy: -128.910
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: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -1508.194205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.194205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.194205 (E_RNA)
where:
Base-Base interactions energy: -1049.626
where: short stacking energy: -427.860
Base-Backbone interact. energy: -1.395
local terms energy: -457.172604
where:
bonds (distance) C4'-P energy: -87.861
bonds (distance) P-C4' energy: -91.056
flat angles C4'-P-C4' energy: -109.290
flat angles P-C4'-P energy: -65.274
tors. eta vs tors. theta energy: -103.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -1410.687005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.687005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.687005 (E_RNA)
where:
Base-Base interactions energy: -994.980
where: short stacking energy: -416.420
Base-Backbone interact. energy: 3.162
local terms energy: -418.869189
where:
bonds (distance) C4'-P energy: -89.297
bonds (distance) P-C4' energy: -99.406
flat angles C4'-P-C4' energy: -77.210
flat angles P-C4'-P energy: -52.324
tors. eta vs tors. theta energy: -100.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -1321.933844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.933844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.933844 (E_RNA)
where:
Base-Base interactions energy: -892.103
where: short stacking energy: -371.705
Base-Backbone interact. energy: -1.264
local terms energy: -428.567422
where:
bonds (distance) C4'-P energy: -76.254
bonds (distance) P-C4' energy: -98.238
flat angles C4'-P-C4' energy: -102.491
flat angles P-C4'-P energy: -61.783
tors. eta vs tors. theta energy: -89.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -1211.943903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.943903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.943903 (E_RNA)
where:
Base-Base interactions energy: -859.402
where: short stacking energy: -346.427
Base-Backbone interact. energy: -0.724
local terms energy: -351.817845
where:
bonds (distance) C4'-P energy: -69.641
bonds (distance) P-C4' energy: -94.220
flat angles C4'-P-C4' energy: -78.402
flat angles P-C4'-P energy: -49.215
tors. eta vs tors. theta energy: -60.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -1205.688208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.688208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.688208 (E_RNA)
where:
Base-Base interactions energy: -847.617
where: short stacking energy: -366.773
Base-Backbone interact. energy: 4.281
local terms energy: -362.351896
where:
bonds (distance) C4'-P energy: -82.393
bonds (distance) P-C4' energy: -74.336
flat angles C4'-P-C4' energy: -83.467
flat angles P-C4'-P energy: -47.631
tors. eta vs tors. theta energy: -74.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1884.863995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.863995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.863995 (E_RNA)
where:
Base-Base interactions energy: -1332.651
where: short stacking energy: -539.038
Base-Backbone interact. energy: -0.502
local terms energy: -551.710720
where:
bonds (distance) C4'-P energy: -96.459
bonds (distance) P-C4' energy: -107.124
flat angles C4'-P-C4' energy: -124.134
flat angles P-C4'-P energy: -81.655
tors. eta vs tors. theta energy: -142.339
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: 8
Temperature: 0.950000
Total energy: -1853.161453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.161453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.161453 (E_RNA)
where:
Base-Base interactions energy: -1325.137
where: short stacking energy: -521.577
Base-Backbone interact. energy: 1.344
local terms energy: -529.368391
where:
bonds (distance) C4'-P energy: -99.560
bonds (distance) P-C4' energy: -100.142
flat angles C4'-P-C4' energy: -108.206
flat angles P-C4'-P energy: -76.963
tors. eta vs tors. theta energy: -144.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1768.840217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.840217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.840217 (E_RNA)
where:
Base-Base interactions energy: -1235.202
where: short stacking energy: -497.251
Base-Backbone interact. energy: -2.185
local terms energy: -531.453431
where:
bonds (distance) C4'-P energy: -96.656
bonds (distance) P-C4' energy: -102.331
flat angles C4'-P-C4' energy: -120.474
flat angles P-C4'-P energy: -74.040
tors. eta vs tors. theta energy: -137.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1657.079421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.079421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.079421 (E_RNA)
where:
Base-Base interactions energy: -1164.711
where: short stacking energy: -476.405
Base-Backbone interact. energy: -1.135
local terms energy: -491.232889
where:
bonds (distance) C4'-P energy: -83.454
bonds (distance) P-C4' energy: -100.319
flat angles C4'-P-C4' energy: -116.147
flat angles P-C4'-P energy: -76.209
tors. eta vs tors. theta energy: -115.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -1637.476540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.476540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.476540 (E_RNA)
where:
Base-Base interactions energy: -1162.441
where: short stacking energy: -491.822
Base-Backbone interact. energy: 5.844
local terms energy: -480.878677
where:
bonds (distance) C4'-P energy: -82.299
bonds (distance) P-C4' energy: -92.221
flat angles C4'-P-C4' energy: -110.692
flat angles P-C4'-P energy: -68.980
tors. eta vs tors. theta energy: -126.687
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: 6
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -1562.346186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.346186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.346186 (E_RNA)
where:
Base-Base interactions energy: -1109.470
where: short stacking energy: -449.305
Base-Backbone interact. energy: -0.576
local terms energy: -452.300442
where:
bonds (distance) C4'-P energy: -78.391
bonds (distance) P-C4' energy: -91.838
flat angles C4'-P-C4' energy: -106.650
flat angles P-C4'-P energy: -60.591
tors. eta vs tors. theta energy: -114.831
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: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -1395.330235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.330235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.330235 (E_RNA)
where:
Base-Base interactions energy: -948.778
where: short stacking energy: -404.401
Base-Backbone interact. energy: -2.006
local terms energy: -444.546127
where:
bonds (distance) C4'-P energy: -87.663
bonds (distance) P-C4' energy: -97.216
flat angles C4'-P-C4' energy: -91.616
flat angles P-C4'-P energy: -65.072
tors. eta vs tors. theta energy: -102.979
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: 7
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -1410.469040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.469040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.469040 (E_RNA)
where:
Base-Base interactions energy: -995.902
where: short stacking energy: -407.179
Base-Backbone interact. energy: 3.039
local terms energy: -417.606208
where:
bonds (distance) C4'-P energy: -77.010
bonds (distance) P-C4' energy: -91.814
flat angles C4'-P-C4' energy: -94.454
flat angles P-C4'-P energy: -49.851
tors. eta vs tors. theta energy: -104.478
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: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -1202.761003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.761003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.761003 (E_RNA)
where:
Base-Base interactions energy: -815.647
where: short stacking energy: -342.098
Base-Backbone interact. energy: -0.857
local terms energy: -386.256818
where:
bonds (distance) C4'-P energy: -85.735
bonds (distance) P-C4' energy: -77.990
flat angles C4'-P-C4' energy: -101.637
flat angles P-C4'-P energy: -47.985
tors. eta vs tors. theta energy: -72.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -1180.920370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.920370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.920370 (E_RNA)
where:
Base-Base interactions energy: -814.646
where: short stacking energy: -333.105
Base-Backbone interact. energy: 0.783
local terms energy: -367.057446
where:
bonds (distance) C4'-P energy: -72.613
bonds (distance) P-C4' energy: -83.921
flat angles C4'-P-C4' energy: -64.791
flat angles P-C4'-P energy: -59.470
tors. eta vs tors. theta energy: -86.262
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: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1899.345756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.345756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.345756 (E_RNA)
where:
Base-Base interactions energy: -1338.887
where: short stacking energy: -549.514
Base-Backbone interact. energy: -2.703
local terms energy: -557.756098
where:
bonds (distance) C4'-P energy: -107.663
bonds (distance) P-C4' energy: -104.472
flat angles C4'-P-C4' energy: -117.215
flat angles P-C4'-P energy: -79.620
tors. eta vs tors. theta energy: -148.785
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: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1868.475097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.475097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.475097 (E_RNA)
where:
Base-Base interactions energy: -1314.620
where: short stacking energy: -551.041
Base-Backbone interact. energy: -3.378
local terms energy: -550.477111
where:
bonds (distance) C4'-P energy: -103.460
bonds (distance) P-C4' energy: -102.521
flat angles C4'-P-C4' energy: -119.999
flat angles P-C4'-P energy: -73.851
tors. eta vs tors. theta energy: -150.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1742.117766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.117766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.117766 (E_RNA)
where:
Base-Base interactions energy: -1191.835
where: short stacking energy: -508.021
Base-Backbone interact. energy: -2.360
local terms energy: -547.923052
where:
bonds (distance) C4'-P energy: -102.755
bonds (distance) P-C4' energy: -106.405
flat angles C4'-P-C4' energy: -114.532
flat angles P-C4'-P energy: -81.829
tors. eta vs tors. theta energy: -142.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1720.332819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.332819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.332819 (E_RNA)
where:
Base-Base interactions energy: -1218.066
where: short stacking energy: -492.689
Base-Backbone interact. energy: -2.298
local terms energy: -499.969431
where:
bonds (distance) C4'-P energy: -91.680
bonds (distance) P-C4' energy: -94.609
flat angles C4'-P-C4' energy: -111.069
flat angles P-C4'-P energy: -72.560
tors. eta vs tors. theta energy: -130.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -1647.871836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.871836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.871836 (E_RNA)
where:
Base-Base interactions energy: -1142.951
where: short stacking energy: -501.459
Base-Backbone interact. energy: -2.083
local terms energy: -502.838541
where:
bonds (distance) C4'-P energy: -93.242
bonds (distance) P-C4' energy: -89.225
flat angles C4'-P-C4' energy: -104.481
flat angles P-C4'-P energy: -81.783
tors. eta vs tors. theta energy: -134.107
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: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -1499.878452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.878452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.878452 (E_RNA)
where:
Base-Base interactions energy: -1051.867
where: short stacking energy: -444.422
Base-Backbone interact. energy: 5.470
local terms energy: -453.482027
where:
bonds (distance) C4'-P energy: -92.715
bonds (distance) P-C4' energy: -77.319
flat angles C4'-P-C4' energy: -104.302
flat angles P-C4'-P energy: -72.264
tors. eta vs tors. theta energy: -106.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -1407.381562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.381562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.381562 (E_RNA)
where:
Base-Base interactions energy: -992.506
where: short stacking energy: -422.016
Base-Backbone interact. energy: 0.353
local terms energy: -415.228765
where:
bonds (distance) C4'-P energy: -83.147
bonds (distance) P-C4' energy: -82.962
flat angles C4'-P-C4' energy: -95.304
flat angles P-C4'-P energy: -48.628
tors. eta vs tors. theta energy: -105.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -1367.260525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.260525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.260525 (E_RNA)
where:
Base-Base interactions energy: -962.035
where: short stacking energy: -373.347
Base-Backbone interact. energy: -0.223
local terms energy: -405.002763
where:
bonds (distance) C4'-P energy: -77.776
bonds (distance) P-C4' energy: -89.678
flat angles C4'-P-C4' energy: -89.068
flat angles P-C4'-P energy: -65.983
tors. eta vs tors. theta energy: -82.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -1169.262604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.262604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.262604 (E_RNA)
where:
Base-Base interactions energy: -783.328
where: short stacking energy: -337.911
Base-Backbone interact. energy: 0.603
local terms energy: -386.537822
where:
bonds (distance) C4'-P energy: -84.278
bonds (distance) P-C4' energy: -86.594
flat angles C4'-P-C4' energy: -92.394
flat angles P-C4'-P energy: -44.017
tors. eta vs tors. theta energy: -79.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -1190.492315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.492315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.492315 (E_RNA)
where:
Base-Base interactions energy: -836.501
where: short stacking energy: -338.641
Base-Backbone interact. energy: 3.369
local terms energy: -357.359995
where:
bonds (distance) C4'-P energy: -69.082
bonds (distance) P-C4' energy: -71.145
flat angles C4'-P-C4' energy: -77.161
flat angles P-C4'-P energy: -64.818
tors. eta vs tors. theta energy: -75.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1894.741502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.741502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.741502 (E_RNA)
where:
Base-Base interactions energy: -1321.674
where: short stacking energy: -551.288
Base-Backbone interact. energy: -0.078
local terms energy: -572.989246
where:
bonds (distance) C4'-P energy: -99.302
bonds (distance) P-C4' energy: -111.894
flat angles C4'-P-C4' energy: -123.000
flat angles P-C4'-P energy: -82.337
tors. eta vs tors. theta energy: -156.457
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: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1869.237273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.237273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.237273 (E_RNA)
where:
Base-Base interactions energy: -1310.655
where: short stacking energy: -540.955
Base-Backbone interact. energy: -3.533
local terms energy: -555.049419
where:
bonds (distance) C4'-P energy: -95.378
bonds (distance) P-C4' energy: -108.726
flat angles C4'-P-C4' energy: -129.391
flat angles P-C4'-P energy: -78.075
tors. eta vs tors. theta energy: -143.478
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: 4
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1769.061691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.061691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.061691 (E_RNA)
where:
Base-Base interactions energy: -1267.496
where: short stacking energy: -513.113
Base-Backbone interact. energy: 6.014
local terms energy: -507.579366
where:
bonds (distance) C4'-P energy: -93.878
bonds (distance) P-C4' energy: -100.050
flat angles C4'-P-C4' energy: -116.354
flat angles P-C4'-P energy: -61.915
tors. eta vs tors. theta energy: -135.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1696.350907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.350907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.350907 (E_RNA)
where:
Base-Base interactions energy: -1191.257
where: short stacking energy: -470.421
Base-Backbone interact. energy: 1.873
local terms energy: -506.966739
where:
bonds (distance) C4'-P energy: -93.840
bonds (distance) P-C4' energy: -102.655
flat angles C4'-P-C4' energy: -114.926
flat angles P-C4'-P energy: -77.980
tors. eta vs tors. theta energy: -117.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1627.169067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.169067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.169067 (E_RNA)
where:
Base-Base interactions energy: -1113.996
where: short stacking energy: -474.314
Base-Backbone interact. energy: 1.317
local terms energy: -514.489932
where:
bonds (distance) C4'-P energy: -102.966
bonds (distance) P-C4' energy: -101.023
flat angles C4'-P-C4' energy: -104.799
flat angles P-C4'-P energy: -74.026
tors. eta vs tors. theta energy: -131.677
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: 6
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -1484.474482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.474482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.474482 (E_RNA)
where:
Base-Base interactions energy: -1039.806
where: short stacking energy: -421.896
Base-Backbone interact. energy: 1.315
local terms energy: -445.983334
where:
bonds (distance) C4'-P energy: -72.706
bonds (distance) P-C4' energy: -89.768
flat angles C4'-P-C4' energy: -86.631
flat angles P-C4'-P energy: -81.008
tors. eta vs tors. theta energy: -115.870
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: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -1365.745933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.745933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.745933 (E_RNA)
where:
Base-Base interactions energy: -949.316
where: short stacking energy: -379.834
Base-Backbone interact. energy: -4.092
local terms energy: -412.337920
where:
bonds (distance) C4'-P energy: -89.363
bonds (distance) P-C4' energy: -96.883
flat angles C4'-P-C4' energy: -85.643
flat angles P-C4'-P energy: -51.297
tors. eta vs tors. theta energy: -89.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -1309.837906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.837906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.837906 (E_RNA)
where:
Base-Base interactions energy: -889.765
where: short stacking energy: -382.511
Base-Backbone interact. energy: -0.120
local terms energy: -419.953166
where:
bonds (distance) C4'-P energy: -75.168
bonds (distance) P-C4' energy: -101.919
flat angles C4'-P-C4' energy: -86.907
flat angles P-C4'-P energy: -60.028
tors. eta vs tors. theta energy: -95.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -1176.245964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.245964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.245964 (E_RNA)
where:
Base-Base interactions energy: -794.467
where: short stacking energy: -326.615
Base-Backbone interact. energy: -3.108
local terms energy: -378.670164
where:
bonds (distance) C4'-P energy: -77.616
bonds (distance) P-C4' energy: -85.692
flat angles C4'-P-C4' energy: -82.610
flat angles P-C4'-P energy: -62.256
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: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -1077.929354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.929354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.929354 (E_RNA)
where:
Base-Base interactions energy: -705.750
where: short stacking energy: -311.572
Base-Backbone interact. energy: -0.977
local terms energy: -371.201865
where:
bonds (distance) C4'-P energy: -82.438
bonds (distance) P-C4' energy: -80.702
flat angles C4'-P-C4' energy: -93.142
flat angles P-C4'-P energy: -53.110
tors. eta vs tors. theta energy: -61.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1878.743385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.743385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.743385 (E_RNA)
where:
Base-Base interactions energy: -1320.132
where: short stacking energy: -547.090
Base-Backbone interact. energy: -4.557
local terms energy: -554.054560
where:
bonds (distance) C4'-P energy: -105.345
bonds (distance) P-C4' energy: -101.622
flat angles C4'-P-C4' energy: -116.557
flat angles P-C4'-P energy: -80.834
tors. eta vs tors. theta energy: -149.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1850.734181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.734181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.734181 (E_RNA)
where:
Base-Base interactions energy: -1317.504
where: short stacking energy: -517.588
Base-Backbone interact. energy: -2.921
local terms energy: -530.309827
where:
bonds (distance) C4'-P energy: -88.374
bonds (distance) P-C4' energy: -103.654
flat angles C4'-P-C4' energy: -108.596
flat angles P-C4'-P energy: -87.094
tors. eta vs tors. theta energy: -142.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1743.615966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.615966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.615966 (E_RNA)
where:
Base-Base interactions energy: -1203.765
where: short stacking energy: -509.812
Base-Backbone interact. energy: -2.078
local terms energy: -537.772303
where:
bonds (distance) C4'-P energy: -96.616
bonds (distance) P-C4' energy: -103.247
flat angles C4'-P-C4' energy: -116.129
flat angles P-C4'-P energy: -77.658
tors. eta vs tors. theta energy: -144.123
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: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1627.368350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.368350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.368350 (E_RNA)
where:
Base-Base interactions energy: -1132.987
where: short stacking energy: -477.858
Base-Backbone interact. energy: -1.902
local terms energy: -492.478976
where:
bonds (distance) C4'-P energy: -84.685
bonds (distance) P-C4' energy: -89.895
flat angles C4'-P-C4' energy: -108.109
flat angles P-C4'-P energy: -79.349
tors. eta vs tors. theta energy: -130.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1552.937562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.937562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.937562 (E_RNA)
where:
Base-Base interactions energy: -1094.445
where: short stacking energy: -429.991
Base-Backbone interact. energy: 1.334
local terms energy: -459.826060
where:
bonds (distance) C4'-P energy: -89.514
bonds (distance) P-C4' energy: -88.253
flat angles C4'-P-C4' energy: -99.279
flat angles P-C4'-P energy: -70.590
tors. eta vs tors. theta energy: -112.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -1475.426385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.426385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.426385 (E_RNA)
where:
Base-Base interactions energy: -1010.348
where: short stacking energy: -416.572
Base-Backbone interact. energy: -0.593
local terms energy: -464.485350
where:
bonds (distance) C4'-P energy: -99.277
bonds (distance) P-C4' energy: -88.107
flat angles C4'-P-C4' energy: -103.102
flat angles P-C4'-P energy: -63.796
tors. eta vs tors. theta energy: -110.204
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: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -1289.607380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.607380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.607380 (E_RNA)
where:
Base-Base interactions energy: -842.984
where: short stacking energy: -338.168
Base-Backbone interact. energy: -2.637
local terms energy: -443.986334
where:
bonds (distance) C4'-P energy: -86.087
bonds (distance) P-C4' energy: -108.779
flat angles C4'-P-C4' energy: -97.690
flat angles P-C4'-P energy: -66.143
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: 8, replica: 7
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -1355.844595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.844595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.844595 (E_RNA)
where:
Base-Base interactions energy: -918.215
where: short stacking energy: -386.948
Base-Backbone interact. energy: 3.139
local terms energy: -440.769212
where:
bonds (distance) C4'-P energy: -92.359
bonds (distance) P-C4' energy: -88.125
flat angles C4'-P-C4' energy: -84.146
flat angles P-C4'-P energy: -78.743
tors. eta vs tors. theta energy: -97.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -1201.381268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.381268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.381268 (E_RNA)
where:
Base-Base interactions energy: -820.077
where: short stacking energy: -311.723
Base-Backbone interact. energy: -0.619
local terms energy: -380.684689
where:
bonds (distance) C4'-P energy: -86.990
bonds (distance) P-C4' energy: -86.350
flat angles C4'-P-C4' energy: -81.481
flat angles P-C4'-P energy: -60.723
tors. eta vs tors. theta energy: -65.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -1058.318938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.318938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.318938 (E_RNA)
where:
Base-Base interactions energy: -704.114
where: short stacking energy: -284.995
Base-Backbone interact. energy: -2.334
local terms energy: -351.871664
where:
bonds (distance) C4'-P energy: -84.523
bonds (distance) P-C4' energy: -106.068
flat angles C4'-P-C4' energy: -72.824
flat angles P-C4'-P energy: -35.784
tors. eta vs tors. theta energy: -52.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1886.688742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.688742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.688742 (E_RNA)
where:
Base-Base interactions energy: -1325.437
where: short stacking energy: -546.116
Base-Backbone interact. energy: -3.381
local terms energy: -557.870244
where:
bonds (distance) C4'-P energy: -97.927
bonds (distance) P-C4' energy: -107.839
flat angles C4'-P-C4' energy: -120.106
flat angles P-C4'-P energy: -79.743
tors. eta vs tors. theta energy: -152.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1840.812354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.812354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.812354 (E_RNA)
where:
Base-Base interactions energy: -1286.939
where: short stacking energy: -515.894
Base-Backbone interact. energy: -0.771
local terms energy: -553.102516
where:
bonds (distance) C4'-P energy: -89.576
bonds (distance) P-C4' energy: -115.839
flat angles C4'-P-C4' energy: -124.104
flat angles P-C4'-P energy: -81.644
tors. eta vs tors. theta energy: -141.940
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: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1739.773579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.773579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.773579 (E_RNA)
where:
Base-Base interactions energy: -1225.642
where: short stacking energy: -506.592
Base-Backbone interact. energy: -3.113
local terms energy: -511.018689
where:
bonds (distance) C4'-P energy: -85.010
bonds (distance) P-C4' energy: -92.309
flat angles C4'-P-C4' energy: -110.359
flat angles P-C4'-P energy: -77.845
tors. eta vs tors. theta energy: -145.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1596.144764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.144764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.144764 (E_RNA)
where:
Base-Base interactions energy: -1152.236
where: short stacking energy: -445.166
Base-Backbone interact. energy: -3.052
local terms energy: -440.856577
where:
bonds (distance) C4'-P energy: -79.570
bonds (distance) P-C4' energy: -84.509
flat angles C4'-P-C4' energy: -98.426
flat angles P-C4'-P energy: -69.748
tors. eta vs tors. theta energy: -108.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1548.889018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.889018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.889018 (E_RNA)
where:
Base-Base interactions energy: -1065.490
where: short stacking energy: -444.848
Base-Backbone interact. energy: 0.542
local terms energy: -483.940635
where:
bonds (distance) C4'-P energy: -104.907
bonds (distance) P-C4' energy: -94.330
flat angles C4'-P-C4' energy: -94.339
flat angles P-C4'-P energy: -68.400
tors. eta vs tors. theta energy: -121.965
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: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1495.649171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.649171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.649171 (E_RNA)
where:
Base-Base interactions energy: -1051.364
where: short stacking energy: -455.517
Base-Backbone interact. energy: -1.761
local terms energy: -442.524060
where:
bonds (distance) C4'-P energy: -77.734
bonds (distance) P-C4' energy: -90.391
flat angles C4'-P-C4' energy: -95.512
flat angles P-C4'-P energy: -62.352
tors. eta vs tors. theta energy: -116.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -1438.353465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.353465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.353465 (E_RNA)
where:
Base-Base interactions energy: -1027.412
where: short stacking energy: -422.133
Base-Backbone interact. energy: 7.133
local terms energy: -418.075251
where:
bonds (distance) C4'-P energy: -81.377
bonds (distance) P-C4' energy: -76.888
flat angles C4'-P-C4' energy: -89.489
flat angles P-C4'-P energy: -61.649
tors. eta vs tors. theta energy: -108.673
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: 12
Temperature: 1.250000
Total energy: -1272.316434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.316434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.316434 (E_RNA)
where:
Base-Base interactions energy: -871.141
where: short stacking energy: -383.799
Base-Backbone interact. energy: 0.010
local terms energy: -401.185166
where:
bonds (distance) C4'-P energy: -68.040
bonds (distance) P-C4' energy: -90.998
flat angles C4'-P-C4' energy: -89.640
flat angles P-C4'-P energy: -66.950
tors. eta vs tors. theta energy: -85.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -1156.947436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.947436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.947436 (E_RNA)
where:
Base-Base interactions energy: -757.744
where: short stacking energy: -321.484
Base-Backbone interact. energy: 0.379
local terms energy: -399.581899
where:
bonds (distance) C4'-P energy: -88.374
bonds (distance) P-C4' energy: -83.265
flat angles C4'-P-C4' energy: -93.155
flat angles P-C4'-P energy: -69.113
tors. eta vs tors. theta energy: -65.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -965.500823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.500823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.500823 (E_RNA)
where:
Base-Base interactions energy: -648.592
where: short stacking energy: -252.195
Base-Backbone interact. energy: -2.197
local terms energy: -314.712038
where:
bonds (distance) C4'-P energy: -57.761
bonds (distance) P-C4' energy: -65.831
flat angles C4'-P-C4' energy: -80.973
flat angles P-C4'-P energy: -64.465
tors. eta vs tors. theta energy: -45.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1897.924710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.924710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.924710 (E_RNA)
where:
Base-Base interactions energy: -1314.167
where: short stacking energy: -545.270
Base-Backbone interact. energy: -0.311
local terms energy: -583.446834
where:
bonds (distance) C4'-P energy: -114.414
bonds (distance) P-C4' energy: -114.820
flat angles C4'-P-C4' energy: -114.574
flat angles P-C4'-P energy: -89.621
tors. eta vs tors. theta energy: -150.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1839.071758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.071758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.071758 (E_RNA)
where:
Base-Base interactions energy: -1296.211
where: short stacking energy: -504.183
Base-Backbone interact. energy: -0.736
local terms energy: -542.124352
where:
bonds (distance) C4'-P energy: -101.704
bonds (distance) P-C4' energy: -96.684
flat angles C4'-P-C4' energy: -122.162
flat angles P-C4'-P energy: -75.187
tors. eta vs tors. theta energy: -146.387
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: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1722.963133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.963133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.963133 (E_RNA)
where:
Base-Base interactions energy: -1211.486
where: short stacking energy: -501.579
Base-Backbone interact. energy: -0.181
local terms energy: -511.296502
where:
bonds (distance) C4'-P energy: -96.478
bonds (distance) P-C4' energy: -106.107
flat angles C4'-P-C4' energy: -105.088
flat angles P-C4'-P energy: -74.462
tors. eta vs tors. theta energy: -129.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1628.336655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.336655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.336655 (E_RNA)
where:
Base-Base interactions energy: -1140.222
where: short stacking energy: -435.252
Base-Backbone interact. energy: -1.888
local terms energy: -486.227061
where:
bonds (distance) C4'-P energy: -96.323
bonds (distance) P-C4' energy: -88.837
flat angles C4'-P-C4' energy: -117.003
flat angles P-C4'-P energy: -69.232
tors. eta vs tors. theta energy: -114.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1618.783221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.783221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.783221 (E_RNA)
where:
Base-Base interactions energy: -1131.632
where: short stacking energy: -458.755
Base-Backbone interact. energy: -0.731
local terms energy: -486.420016
where:
bonds (distance) C4'-P energy: -79.531
bonds (distance) P-C4' energy: -98.290
flat angles C4'-P-C4' energy: -110.336
flat angles P-C4'-P energy: -77.571
tors. eta vs tors. theta energy: -120.692
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: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -1490.922199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.922199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.922199 (E_RNA)
where:
Base-Base interactions energy: -996.392
where: short stacking energy: -411.523
Base-Backbone interact. energy: 5.690
local terms energy: -500.220123
where:
bonds (distance) C4'-P energy: -91.980
bonds (distance) P-C4' energy: -103.338
flat angles C4'-P-C4' energy: -108.548
flat angles P-C4'-P energy: -86.665
tors. eta vs tors. theta energy: -109.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -1368.230051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.230051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.230051 (E_RNA)
where:
Base-Base interactions energy: -926.595
where: short stacking energy: -371.454
Base-Backbone interact. energy: 0.828
local terms energy: -442.463403
where:
bonds (distance) C4'-P energy: -79.974
bonds (distance) P-C4' energy: -98.844
flat angles C4'-P-C4' energy: -97.129
flat angles P-C4'-P energy: -68.131
tors. eta vs tors. theta energy: -98.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -1292.139568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.139568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.139568 (E_RNA)
where:
Base-Base interactions energy: -894.648
where: short stacking energy: -383.478
Base-Backbone interact. energy: 1.878
local terms energy: -399.369903
where:
bonds (distance) C4'-P energy: -77.967
bonds (distance) P-C4' energy: -86.977
flat angles C4'-P-C4' energy: -95.311
flat angles P-C4'-P energy: -53.217
tors. eta vs tors. theta energy: -85.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -1113.078648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.078648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.078648 (E_RNA)
where:
Base-Base interactions energy: -758.470
where: short stacking energy: -318.761
Base-Backbone interact. energy: 1.567
local terms energy: -356.174993
where:
bonds (distance) C4'-P energy: -75.613
bonds (distance) P-C4' energy: -91.232
flat angles C4'-P-C4' energy: -78.179
flat angles P-C4'-P energy: -54.362
tors. eta vs tors. theta energy: -56.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -932.476113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.476113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.476113 (E_RNA)
where:
Base-Base interactions energy: -619.597
where: short stacking energy: -264.482
Base-Backbone interact. energy: -2.513
local terms energy: -310.365971
where:
bonds (distance) C4'-P energy: -85.902
bonds (distance) P-C4' energy: -91.052
flat angles C4'-P-C4' energy: -95.495
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1886.055580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.055580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.055580 (E_RNA)
where:
Base-Base interactions energy: -1332.001
where: short stacking energy: -537.722
Base-Backbone interact. energy: -2.484
local terms energy: -551.570136
where:
bonds (distance) C4'-P energy: -97.614
bonds (distance) P-C4' energy: -106.113
flat angles C4'-P-C4' energy: -122.389
flat angles P-C4'-P energy: -80.296
tors. eta vs tors. theta energy: -145.158
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: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1848.850720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.850720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.850720 (E_RNA)
where:
Base-Base interactions energy: -1318.549
where: short stacking energy: -516.606
Base-Backbone interact. energy: -3.085
local terms energy: -527.216249
where:
bonds (distance) C4'-P energy: -100.310
bonds (distance) P-C4' energy: -98.225
flat angles C4'-P-C4' energy: -111.440
flat angles P-C4'-P energy: -74.030
tors. eta vs tors. theta energy: -143.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1759.820716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.820716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.820716 (E_RNA)
where:
Base-Base interactions energy: -1231.842
where: short stacking energy: -482.145
Base-Backbone interact. energy: -2.265
local terms energy: -525.713644
where:
bonds (distance) C4'-P energy: -101.702
bonds (distance) P-C4' energy: -118.553
flat angles C4'-P-C4' energy: -110.951
flat angles P-C4'-P energy: -72.729
tors. eta vs tors. theta energy: -121.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1634.387746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.387746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.387746 (E_RNA)
where:
Base-Base interactions energy: -1153.797
where: short stacking energy: -435.327
Base-Backbone interact. energy: -1.734
local terms energy: -478.856160
where:
bonds (distance) C4'-P energy: -89.173
bonds (distance) P-C4' energy: -102.807
flat angles C4'-P-C4' energy: -91.537
flat angles P-C4'-P energy: -76.437
tors. eta vs tors. theta energy: -118.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1608.307613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.307613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.307613 (E_RNA)
where:
Base-Base interactions energy: -1124.702
where: short stacking energy: -476.908
Base-Backbone interact. energy: -2.927
local terms energy: -480.678696
where:
bonds (distance) C4'-P energy: -82.742
bonds (distance) P-C4' energy: -89.649
flat angles C4'-P-C4' energy: -111.788
flat angles P-C4'-P energy: -65.623
tors. eta vs tors. theta energy: -130.877
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: 6
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1419.152314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.152314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.152314 (E_RNA)
where:
Base-Base interactions energy: -959.095
where: short stacking energy: -406.371
Base-Backbone interact. energy: 0.143
local terms energy: -460.201074
where:
bonds (distance) C4'-P energy: -102.827
bonds (distance) P-C4' energy: -79.953
flat angles C4'-P-C4' energy: -112.323
flat angles P-C4'-P energy: -63.544
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: 7, replica: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -1379.055857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.055857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.055857 (E_RNA)
where:
Base-Base interactions energy: -954.504
where: short stacking energy: -397.688
Base-Backbone interact. energy: 6.117
local terms energy: -430.668156
where:
bonds (distance) C4'-P energy: -86.254
bonds (distance) P-C4' energy: -85.665
flat angles C4'-P-C4' energy: -101.407
flat angles P-C4'-P energy: -63.842
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: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -1299.377110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.377110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.377110 (E_RNA)
where:
Base-Base interactions energy: -902.327
where: short stacking energy: -379.331
Base-Backbone interact. energy: 5.278
local terms energy: -402.328147
where:
bonds (distance) C4'-P energy: -93.788
bonds (distance) P-C4' energy: -93.855
flat angles C4'-P-C4' energy: -74.730
flat angles P-C4'-P energy: -59.015
tors. eta vs tors. theta energy: -80.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -1112.267164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.267164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.267164 (E_RNA)
where:
Base-Base interactions energy: -721.011
where: short stacking energy: -301.579
Base-Backbone interact. energy: 0.485
local terms energy: -391.740917
where:
bonds (distance) C4'-P energy: -86.382
bonds (distance) P-C4' energy: -87.527
flat angles C4'-P-C4' energy: -98.305
flat angles P-C4'-P energy: -45.714
tors. eta vs tors. theta energy: -73.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -908.250012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.250012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.250012 (E_RNA)
where:
Base-Base interactions energy: -576.513
where: short stacking energy: -261.791
Base-Backbone interact. energy: -0.463
local terms energy: -331.273412
where:
bonds (distance) C4'-P energy: -93.759
bonds (distance) P-C4' energy: -73.828
flat angles C4'-P-C4' energy: -80.284
flat angles P-C4'-P energy: -43.447
tors. eta vs tors. theta energy: -39.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1914.176795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.176795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.176795 (E_RNA)
where:
Base-Base interactions energy: -1365.083
where: short stacking energy: -545.763
Base-Backbone interact. energy: -1.831
local terms energy: -547.263317
where:
bonds (distance) C4'-P energy: -97.649
bonds (distance) P-C4' energy: -105.529
flat angles C4'-P-C4' energy: -116.393
flat angles P-C4'-P energy: -80.984
tors. eta vs tors. theta energy: -146.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1835.776435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.776435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.776435 (E_RNA)
where:
Base-Base interactions energy: -1302.669
where: short stacking energy: -534.094
Base-Backbone interact. energy: 4.076
local terms energy: -537.183484
where:
bonds (distance) C4'-P energy: -104.366
bonds (distance) P-C4' energy: -96.437
flat angles C4'-P-C4' energy: -109.933
flat angles P-C4'-P energy: -82.876
tors. eta vs tors. theta energy: -143.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1791.309013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.309013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.309013 (E_RNA)
where:
Base-Base interactions energy: -1285.415
where: short stacking energy: -522.498
Base-Backbone interact. energy: 7.024
local terms energy: -512.917267
where:
bonds (distance) C4'-P energy: -86.706
bonds (distance) P-C4' energy: -91.627
flat angles C4'-P-C4' energy: -113.224
flat angles P-C4'-P energy: -79.805
tors. eta vs tors. theta energy: -141.555
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: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1689.368921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.368921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.368921 (E_RNA)
where:
Base-Base interactions energy: -1182.048
where: short stacking energy: -505.533
Base-Backbone interact. energy: -0.173
local terms energy: -507.148378
where:
bonds (distance) C4'-P energy: -95.026
bonds (distance) P-C4' energy: -102.288
flat angles C4'-P-C4' energy: -106.345
flat angles P-C4'-P energy: -62.504
tors. eta vs tors. theta energy: -140.985
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: 5, replica: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1570.484982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.484982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.484982 (E_RNA)
where:
Base-Base interactions energy: -1109.501
where: short stacking energy: -447.849
Base-Backbone interact. energy: 3.603
local terms energy: -464.586960
where:
bonds (distance) C4'-P energy: -86.113
bonds (distance) P-C4' energy: -75.007
flat angles C4'-P-C4' energy: -106.450
flat angles P-C4'-P energy: -83.565
tors. eta vs tors. theta energy: -113.452
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: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1434.422647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.422647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.422647 (E_RNA)
where:
Base-Base interactions energy: -981.464
where: short stacking energy: -417.463
Base-Backbone interact. energy: -3.290
local terms energy: -449.668738
where:
bonds (distance) C4'-P energy: -98.783
bonds (distance) P-C4' energy: -93.298
flat angles C4'-P-C4' energy: -103.798
flat angles P-C4'-P energy: -61.801
tors. eta vs tors. theta energy: -91.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -1361.176497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.176497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.176497 (E_RNA)
where:
Base-Base interactions energy: -914.825
where: short stacking energy: -393.944
Base-Backbone interact. energy: -1.132
local terms energy: -445.219276
where:
bonds (distance) C4'-P energy: -89.354
bonds (distance) P-C4' energy: -95.167
flat angles C4'-P-C4' energy: -98.036
flat angles P-C4'-P energy: -65.656
tors. eta vs tors. theta energy: -97.005
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: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -1254.351096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.351096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.351096 (E_RNA)
where:
Base-Base interactions energy: -855.782
where: short stacking energy: -365.964
Base-Backbone interact. energy: 5.159
local terms energy: -403.727510
where:
bonds (distance) C4'-P energy: -90.304
bonds (distance) P-C4' energy: -81.757
flat angles C4'-P-C4' energy: -87.481
flat angles P-C4'-P energy: -65.861
tors. eta vs tors. theta energy: -78.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -1077.935103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.935103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.935103 (E_RNA)
where:
Base-Base interactions energy: -697.765
where: short stacking energy: -310.336
Base-Backbone interact. energy: -0.629
local terms energy: -379.541676
where:
bonds (distance) C4'-P energy: -95.622
bonds (distance) P-C4' energy: -90.399
flat angles C4'-P-C4' energy: -83.768
flat angles P-C4'-P energy: -56.811
tors. eta vs tors. theta energy: -52.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -947.295335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.295335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.295335 (E_RNA)
where:
Base-Base interactions energy: -634.992
where: short stacking energy: -277.890
Base-Backbone interact. energy: 8.000
local terms energy: -320.303330
where:
bonds (distance) C4'-P energy: -51.024
bonds (distance) P-C4' energy: -84.392
flat angles C4'-P-C4' energy: -92.875
flat angles P-C4'-P energy: -52.825
tors. eta vs tors. theta energy: -39.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1897.314626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.314626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.314626 (E_RNA)
where:
Base-Base interactions energy: -1357.940
where: short stacking energy: -545.811
Base-Backbone interact. energy: -1.513
local terms energy: -537.861565
where:
bonds (distance) C4'-P energy: -102.761
bonds (distance) P-C4' energy: -102.323
flat angles C4'-P-C4' energy: -110.502
flat angles P-C4'-P energy: -77.351
tors. eta vs tors. theta energy: -144.924
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: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1843.304820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.304820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.304820 (E_RNA)
where:
Base-Base interactions energy: -1270.704
where: short stacking energy: -522.395
Base-Backbone interact. energy: -1.535
local terms energy: -571.065823
where:
bonds (distance) C4'-P energy: -103.086
bonds (distance) P-C4' energy: -109.502
flat angles C4'-P-C4' energy: -122.960
flat angles P-C4'-P energy: -85.062
tors. eta vs tors. theta energy: -150.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1793.183283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.183283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.183283 (E_RNA)
where:
Base-Base interactions energy: -1248.284
where: short stacking energy: -516.977
Base-Backbone interact. energy: -2.761
local terms energy: -542.137826
where:
bonds (distance) C4'-P energy: -98.034
bonds (distance) P-C4' energy: -99.347
flat angles C4'-P-C4' energy: -121.571
flat angles P-C4'-P energy: -76.156
tors. eta vs tors. theta energy: -147.031
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: 5
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1709.526576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.526576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.526576 (E_RNA)
where:
Base-Base interactions energy: -1185.977
where: short stacking energy: -521.020
Base-Backbone interact. energy: -3.895
local terms energy: -519.654525
where:
bonds (distance) C4'-P energy: -104.478
bonds (distance) P-C4' energy: -94.341
flat angles C4'-P-C4' energy: -104.171
flat angles P-C4'-P energy: -79.338
tors. eta vs tors. theta energy: -137.327
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: 5, replica: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1612.019243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.019243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.019243 (E_RNA)
where:
Base-Base interactions energy: -1138.749
where: short stacking energy: -447.805
Base-Backbone interact. energy: -2.749
local terms energy: -470.521380
where:
bonds (distance) C4'-P energy: -82.191
bonds (distance) P-C4' energy: -92.612
flat angles C4'-P-C4' energy: -107.735
flat angles P-C4'-P energy: -73.914
tors. eta vs tors. theta energy: -114.070
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: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1464.441834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.441834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.441834 (E_RNA)
where:
Base-Base interactions energy: -1010.760
where: short stacking energy: -432.352
Base-Backbone interact. energy: -0.117
local terms energy: -453.565050
where:
bonds (distance) C4'-P energy: -96.157
bonds (distance) P-C4' energy: -93.454
flat angles C4'-P-C4' energy: -89.108
flat angles P-C4'-P energy: -63.303
tors. eta vs tors. theta energy: -111.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -1346.917776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.917776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.917776 (E_RNA)
where:
Base-Base interactions energy: -902.033
where: short stacking energy: -388.066
Base-Backbone interact. energy: -2.245
local terms energy: -442.639996
where:
bonds (distance) C4'-P energy: -94.670
bonds (distance) P-C4' energy: -91.842
flat angles C4'-P-C4' energy: -85.390
flat angles P-C4'-P energy: -68.471
tors. eta vs tors. theta energy: -102.266
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: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -1245.257259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.257259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.257259 (E_RNA)
where:
Base-Base interactions energy: -857.083
where: short stacking energy: -369.344
Base-Backbone interact. energy: 0.603
local terms energy: -388.777375
where:
bonds (distance) C4'-P energy: -93.362
bonds (distance) P-C4' energy: -92.859
flat angles C4'-P-C4' energy: -87.057
flat angles P-C4'-P energy: -40.329
tors. eta vs tors. theta energy: -75.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -998.039504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.039504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.039504 (E_RNA)
where:
Base-Base interactions energy: -635.034
where: short stacking energy: -280.601
Base-Backbone interact. energy: 1.218
local terms energy: -364.224090
where:
bonds (distance) C4'-P energy: -92.532
bonds (distance) P-C4' energy: -88.434
flat angles C4'-P-C4' energy: -84.534
flat angles P-C4'-P energy: -47.729
tors. eta vs tors. theta energy: -50.996
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: 16
Temperature: 1.350000
Total energy: -1009.565024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.565024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.565024 (E_RNA)
where:
Base-Base interactions energy: -665.710
where: short stacking energy: -287.262
Base-Backbone interact. energy: 0.535
local terms energy: -344.390637
where:
bonds (distance) C4'-P energy: -80.172
bonds (distance) P-C4' energy: -82.011
flat angles C4'-P-C4' energy: -91.368
flat angles P-C4'-P energy: -42.769
tors. eta vs tors. theta energy: -48.071
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: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1905.469322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.469322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.469322 (E_RNA)
where:
Base-Base interactions energy: -1374.204
where: short stacking energy: -532.128
Base-Backbone interact. energy: -2.909
local terms energy: -528.356566
where:
bonds (distance) C4'-P energy: -81.847
bonds (distance) P-C4' energy: -107.239
flat angles C4'-P-C4' energy: -119.133
flat angles P-C4'-P energy: -70.863
tors. eta vs tors. theta energy: -149.274
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: 17
Temperature: 0.950000
Total energy: -1863.894514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.894514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.894514 (E_RNA)
where:
Base-Base interactions energy: -1316.306
where: short stacking energy: -531.614
Base-Backbone interact. energy: -2.788
local terms energy: -544.800704
where:
bonds (distance) C4'-P energy: -101.164
bonds (distance) P-C4' energy: -99.481
flat angles C4'-P-C4' energy: -116.895
flat angles P-C4'-P energy: -84.694
tors. eta vs tors. theta energy: -142.567
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: 4
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1764.178400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.178400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.178400 (E_RNA)
where:
Base-Base interactions energy: -1251.197
where: short stacking energy: -518.730
Base-Backbone interact. energy: -3.936
local terms energy: -509.045521
where:
bonds (distance) C4'-P energy: -86.371
bonds (distance) P-C4' energy: -97.690
flat angles C4'-P-C4' energy: -108.554
flat angles P-C4'-P energy: -74.135
tors. eta vs tors. theta energy: -142.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1690.096087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.096087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.096087 (E_RNA)
where:
Base-Base interactions energy: -1200.768
where: short stacking energy: -495.985
Base-Backbone interact. energy: 3.528
local terms energy: -492.856544
where:
bonds (distance) C4'-P energy: -87.346
bonds (distance) P-C4' energy: -90.005
flat angles C4'-P-C4' energy: -114.225
flat angles P-C4'-P energy: -72.508
tors. eta vs tors. theta energy: -128.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1535.017963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.017963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.017963 (E_RNA)
where:
Base-Base interactions energy: -1068.440
where: short stacking energy: -433.694
Base-Backbone interact. energy: -2.819
local terms energy: -463.759074
where:
bonds (distance) C4'-P energy: -82.884
bonds (distance) P-C4' energy: -90.945
flat angles C4'-P-C4' energy: -101.367
flat angles P-C4'-P energy: -74.314
tors. eta vs tors. theta energy: -114.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1458.937407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.937407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.937407 (E_RNA)
where:
Base-Base interactions energy: -1016.945
where: short stacking energy: -432.639
Base-Backbone interact. energy: -0.947
local terms energy: -441.045599
where:
bonds (distance) C4'-P energy: -80.612
bonds (distance) P-C4' energy: -85.326
flat angles C4'-P-C4' energy: -99.499
flat angles P-C4'-P energy: -69.419
tors. eta vs tors. theta energy: -106.190
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: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1326.533056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.533056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.533056 (E_RNA)
where:
Base-Base interactions energy: -875.607
where: short stacking energy: -401.253
Base-Backbone interact. energy: 4.058
local terms energy: -454.984067
where:
bonds (distance) C4'-P energy: -88.584
bonds (distance) P-C4' energy: -95.331
flat angles C4'-P-C4' energy: -97.964
flat angles P-C4'-P energy: -71.439
tors. eta vs tors. theta energy: -101.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -1283.682779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.682779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.682779 (E_RNA)
where:
Base-Base interactions energy: -876.188
where: short stacking energy: -363.339
Base-Backbone interact. energy: 3.173
local terms energy: -410.668034
where:
bonds (distance) C4'-P energy: -87.984
bonds (distance) P-C4' energy: -82.942
flat angles C4'-P-C4' energy: -97.541
flat angles P-C4'-P energy: -63.668
tors. eta vs tors. theta energy: -78.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -1014.630201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.630201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.630201 (E_RNA)
where:
Base-Base interactions energy: -659.568
where: short stacking energy: -266.776
Base-Backbone interact. energy: -1.046
local terms energy: -354.016437
where:
bonds (distance) C4'-P energy: -82.475
bonds (distance) P-C4' energy: -91.868
flat angles C4'-P-C4' energy: -86.710
flat angles P-C4'-P energy: -42.923
tors. eta vs tors. theta energy: -50.040
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: 17
Temperature: 1.350000
Total energy: -982.054281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.054281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.054281 (E_RNA)
where:
Base-Base interactions energy: -635.249
where: short stacking energy: -269.890
Base-Backbone interact. energy: 2.364
local terms energy: -349.168548
where:
bonds (distance) C4'-P energy: -83.324
bonds (distance) P-C4' energy: -84.049
flat angles C4'-P-C4' energy: -84.015
flat angles P-C4'-P energy: -54.432
tors. eta vs tors. theta energy: -43.349
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: 18
Temperature: 0.900000
Total energy: -1915.376692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.376692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.376692 (E_RNA)
where:
Base-Base interactions energy: -1362.437
where: short stacking energy: -553.712
Base-Backbone interact. energy: -1.404
local terms energy: -551.535763
where:
bonds (distance) C4'-P energy: -98.154
bonds (distance) P-C4' energy: -116.824
flat angles C4'-P-C4' energy: -113.630
flat angles P-C4'-P energy: -77.132
tors. eta vs tors. theta energy: -145.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1859.195801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.195801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.195801 (E_RNA)
where:
Base-Base interactions energy: -1339.079
where: short stacking energy: -547.611
Base-Backbone interact. energy: 2.143
local terms energy: -522.259128
where:
bonds (distance) C4'-P energy: -87.257
bonds (distance) P-C4' energy: -100.993
flat angles C4'-P-C4' energy: -114.658
flat angles P-C4'-P energy: -72.777
tors. eta vs tors. theta energy: -146.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1751.519410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.519410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.519410 (E_RNA)
where:
Base-Base interactions energy: -1238.231
where: short stacking energy: -498.187
Base-Backbone interact. energy: -1.551
local terms energy: -511.737081
where:
bonds (distance) C4'-P energy: -81.297
bonds (distance) P-C4' energy: -95.473
flat angles C4'-P-C4' energy: -121.905
flat angles P-C4'-P energy: -72.611
tors. eta vs tors. theta energy: -140.450
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: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1699.305680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.305680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.305680 (E_RNA)
where:
Base-Base interactions energy: -1196.092
where: short stacking energy: -494.132
Base-Backbone interact. energy: 0.124
local terms energy: -503.337627
where:
bonds (distance) C4'-P energy: -82.830
bonds (distance) P-C4' energy: -93.998
flat angles C4'-P-C4' energy: -115.568
flat angles P-C4'-P energy: -73.811
tors. eta vs tors. theta energy: -137.131
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: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1564.533199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.533199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.533199 (E_RNA)
where:
Base-Base interactions energy: -1061.476
where: short stacking energy: -440.493
Base-Backbone interact. energy: -1.623
local terms energy: -501.434283
where:
bonds (distance) C4'-P energy: -89.256
bonds (distance) P-C4' energy: -105.065
flat angles C4'-P-C4' energy: -113.850
flat angles P-C4'-P energy: -73.857
tors. eta vs tors. theta energy: -119.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1451.715604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.715604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.715604 (E_RNA)
where:
Base-Base interactions energy: -1003.362
where: short stacking energy: -406.608
Base-Backbone interact. energy: 4.122
local terms energy: -452.475440
where:
bonds (distance) C4'-P energy: -90.405
bonds (distance) P-C4' energy: -111.016
flat angles C4'-P-C4' energy: -76.566
flat angles P-C4'-P energy: -77.907
tors. eta vs tors. theta energy: -96.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1323.164582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.164582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.164582 (E_RNA)
where:
Base-Base interactions energy: -920.772
where: short stacking energy: -386.482
Base-Backbone interact. energy: 0.639
local terms energy: -403.030634
where:
bonds (distance) C4'-P energy: -78.442
bonds (distance) P-C4' energy: -99.241
flat angles C4'-P-C4' energy: -81.114
flat angles P-C4'-P energy: -59.801
tors. eta vs tors. theta energy: -84.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -1242.485592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.485592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.485592 (E_RNA)
where:
Base-Base interactions energy: -830.663
where: short stacking energy: -347.624
Base-Backbone interact. energy: -1.933
local terms energy: -409.889454
where:
bonds (distance) C4'-P energy: -86.523
bonds (distance) P-C4' energy: -101.547
flat angles C4'-P-C4' energy: -78.180
flat angles P-C4'-P energy: -63.770
tors. eta vs tors. theta energy: -79.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -987.606896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.606896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.606896 (E_RNA)
where:
Base-Base interactions energy: -597.692
where: short stacking energy: -252.107
Base-Backbone interact. energy: -3.109
local terms energy: -386.805445
where:
bonds (distance) C4'-P energy: -101.347
bonds (distance) P-C4' energy: -99.598
flat angles C4'-P-C4' energy: -88.418
flat angles P-C4'-P energy: -48.653
tors. eta vs tors. theta energy: -48.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -1053.301323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.301323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.301323 (E_RNA)
where:
Base-Base interactions energy: -686.820
where: short stacking energy: -284.290
Base-Backbone interact. energy: -1.522
local terms energy: -364.959598
where:
bonds (distance) C4'-P energy: -71.370
bonds (distance) P-C4' energy: -82.713
flat angles C4'-P-C4' energy: -86.088
flat angles P-C4'-P energy: -66.221
tors. eta vs tors. theta energy: -58.567
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: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1898.788508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.788508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.788508 (E_RNA)
where:
Base-Base interactions energy: -1344.544
where: short stacking energy: -539.815
Base-Backbone interact. energy: -1.301
local terms energy: -552.943701
where:
bonds (distance) C4'-P energy: -106.122
bonds (distance) P-C4' energy: -98.166
flat angles C4'-P-C4' energy: -117.989
flat angles P-C4'-P energy: -83.788
tors. eta vs tors. theta energy: -146.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1884.044798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.044798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.044798 (E_RNA)
where:
Base-Base interactions energy: -1350.164
where: short stacking energy: -556.192
Base-Backbone interact. energy: -2.662
local terms energy: -531.218390
where:
bonds (distance) C4'-P energy: -96.933
bonds (distance) P-C4' energy: -92.370
flat angles C4'-P-C4' energy: -113.438
flat angles P-C4'-P energy: -73.500
tors. eta vs tors. theta energy: -154.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1758.333051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.333051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.333051 (E_RNA)
where:
Base-Base interactions energy: -1241.874
where: short stacking energy: -489.404
Base-Backbone interact. energy: -0.352
local terms energy: -516.107456
where:
bonds (distance) C4'-P energy: -89.228
bonds (distance) P-C4' energy: -102.460
flat angles C4'-P-C4' energy: -112.298
flat angles P-C4'-P energy: -75.633
tors. eta vs tors. theta energy: -136.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1679.372405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.372405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.372405 (E_RNA)
where:
Base-Base interactions energy: -1166.766
where: short stacking energy: -488.407
Base-Backbone interact. energy: -0.627
local terms energy: -511.980035
where:
bonds (distance) C4'-P energy: -96.905
bonds (distance) P-C4' energy: -98.368
flat angles C4'-P-C4' energy: -116.000
flat angles P-C4'-P energy: -67.374
tors. eta vs tors. theta energy: -133.333
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: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1527.753162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.753162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.753162 (E_RNA)
where:
Base-Base interactions energy: -1065.025
where: short stacking energy: -447.429
Base-Backbone interact. energy: 3.389
local terms energy: -466.117893
where:
bonds (distance) C4'-P energy: -85.910
bonds (distance) P-C4' energy: -93.781
flat angles C4'-P-C4' energy: -107.592
flat angles P-C4'-P energy: -65.479
tors. eta vs tors. theta energy: -113.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1488.084516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.084516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.084516 (E_RNA)
where:
Base-Base interactions energy: -1035.033
where: short stacking energy: -442.701
Base-Backbone interact. energy: 0.427
local terms energy: -453.478478
where:
bonds (distance) C4'-P energy: -80.220
bonds (distance) P-C4' energy: -94.983
flat angles C4'-P-C4' energy: -91.267
flat angles P-C4'-P energy: -69.236
tors. eta vs tors. theta energy: -117.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -1291.076442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.076442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.076442 (E_RNA)
where:
Base-Base interactions energy: -893.382
where: short stacking energy: -396.006
Base-Backbone interact. energy: 2.334
local terms energy: -400.027928
where:
bonds (distance) C4'-P energy: -55.191
bonds (distance) P-C4' energy: -106.900
flat angles C4'-P-C4' energy: -96.675
flat angles P-C4'-P energy: -61.064
tors. eta vs tors. theta energy: -80.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -1281.165706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.165706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.165706 (E_RNA)
where:
Base-Base interactions energy: -910.073
where: short stacking energy: -370.122
Base-Backbone interact. energy: -0.999
local terms energy: -370.093480
where:
bonds (distance) C4'-P energy: -76.825
bonds (distance) P-C4' energy: -80.480
flat angles C4'-P-C4' energy: -77.164
flat angles P-C4'-P energy: -60.287
tors. eta vs tors. theta energy: -75.338
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: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -999.013002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.013002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.013002 (E_RNA)
where:
Base-Base interactions energy: -646.750
where: short stacking energy: -297.895
Base-Backbone interact. energy: -0.916
local terms energy: -351.346613
where:
bonds (distance) C4'-P energy: -73.960
bonds (distance) P-C4' energy: -93.273
flat angles C4'-P-C4' energy: -80.715
flat angles P-C4'-P energy: -54.011
tors. eta vs tors. theta energy: -49.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -1026.622249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.622249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.622249 (E_RNA)
where:
Base-Base interactions energy: -681.655
where: short stacking energy: -314.968
Base-Backbone interact. energy: 4.240
local terms energy: -349.207765
where:
bonds (distance) C4'-P energy: -64.678
bonds (distance) P-C4' energy: -84.491
flat angles C4'-P-C4' energy: -95.394
flat angles P-C4'-P energy: -43.565
tors. eta vs tors. theta energy: -61.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1905.876432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.876432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.876432 (E_RNA)
where:
Base-Base interactions energy: -1356.791
where: short stacking energy: -563.289
Base-Backbone interact. energy: -2.320
local terms energy: -546.765257
where:
bonds (distance) C4'-P energy: -99.673
bonds (distance) P-C4' energy: -97.634
flat angles C4'-P-C4' energy: -115.174
flat angles P-C4'-P energy: -74.834
tors. eta vs tors. theta energy: -159.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1843.435142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.435142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.435142 (E_RNA)
where:
Base-Base interactions energy: -1291.869
where: short stacking energy: -518.804
Base-Backbone interact. energy: -2.205
local terms energy: -549.361155
where:
bonds (distance) C4'-P energy: -101.602
bonds (distance) P-C4' energy: -98.881
flat angles C4'-P-C4' energy: -119.484
flat angles P-C4'-P energy: -87.429
tors. eta vs tors. theta energy: -141.965
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: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1763.562901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.562901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.562901 (E_RNA)
where:
Base-Base interactions energy: -1253.602
where: short stacking energy: -497.556
Base-Backbone interact. energy: -2.470
local terms energy: -507.491472
where:
bonds (distance) C4'-P energy: -102.953
bonds (distance) P-C4' energy: -99.442
flat angles C4'-P-C4' energy: -95.057
flat angles P-C4'-P energy: -73.454
tors. eta vs tors. theta energy: -136.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1676.048246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.048246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.048246 (E_RNA)
where:
Base-Base interactions energy: -1135.027
where: short stacking energy: -497.574
Base-Backbone interact. energy: -0.721
local terms energy: -540.300046
where:
bonds (distance) C4'-P energy: -102.780
bonds (distance) P-C4' energy: -108.206
flat angles C4'-P-C4' energy: -113.062
flat angles P-C4'-P energy: -73.061
tors. eta vs tors. theta energy: -143.191
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: 20
Temperature: 1.100000
Total energy: -1563.136248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.136248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.136248 (E_RNA)
where:
Base-Base interactions energy: -1058.051
where: short stacking energy: -443.097
Base-Backbone interact. energy: -1.105
local terms energy: -503.979957
where:
bonds (distance) C4'-P energy: -90.234
bonds (distance) P-C4' energy: -112.654
flat angles C4'-P-C4' energy: -103.419
flat angles P-C4'-P energy: -74.967
tors. eta vs tors. theta energy: -122.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1479.257114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.257114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.257114 (E_RNA)
where:
Base-Base interactions energy: -995.526
where: short stacking energy: -454.182
Base-Backbone interact. energy: -0.196
local terms energy: -483.534899
where:
bonds (distance) C4'-P energy: -81.143
bonds (distance) P-C4' energy: -104.728
flat angles C4'-P-C4' energy: -111.064
flat angles P-C4'-P energy: -68.839
tors. eta vs tors. theta energy: -117.762
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: 20
Temperature: 1.200000
Total energy: -1398.298484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.298484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.298484 (E_RNA)
where:
Base-Base interactions energy: -936.454
where: short stacking energy: -417.924
Base-Backbone interact. energy: -0.843
local terms energy: -461.001950
where:
bonds (distance) C4'-P energy: -93.474
bonds (distance) P-C4' energy: -79.478
flat angles C4'-P-C4' energy: -103.030
flat angles P-C4'-P energy: -63.688
tors. eta vs tors. theta energy: -121.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -1300.539512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.539512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.539512 (E_RNA)
where:
Base-Base interactions energy: -893.474
where: short stacking energy: -355.005
Base-Backbone interact. energy: -1.811
local terms energy: -405.254585
where:
bonds (distance) C4'-P energy: -68.522
bonds (distance) P-C4' energy: -101.634
flat angles C4'-P-C4' energy: -99.306
flat angles P-C4'-P energy: -57.533
tors. eta vs tors. theta energy: -78.259
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: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -1001.715601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.715601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.715601 (E_RNA)
where:
Base-Base interactions energy: -648.853
where: short stacking energy: -265.503
Base-Backbone interact. energy: -2.906
local terms energy: -349.956190
where:
bonds (distance) C4'-P energy: -85.027
bonds (distance) P-C4' energy: -77.435
flat angles C4'-P-C4' energy: -86.670
flat angles P-C4'-P energy: -46.267
tors. eta vs tors. theta energy: -54.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -1040.125852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.125852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.125852 (E_RNA)
where:
Base-Base interactions energy: -670.045
where: short stacking energy: -283.266
Base-Backbone interact. energy: -4.265
local terms energy: -365.815678
where:
bonds (distance) C4'-P energy: -85.847
bonds (distance) P-C4' energy: -107.172
flat angles C4'-P-C4' energy: -66.177
flat angles P-C4'-P energy: -54.537
tors. eta vs tors. theta energy: -52.083
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: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1903.293440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.293440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.293440 (E_RNA)
where:
Base-Base interactions energy: -1327.834
where: short stacking energy: -548.783
Base-Backbone interact. energy: -4.956
local terms energy: -570.503391
where:
bonds (distance) C4'-P energy: -102.723
bonds (distance) P-C4' energy: -110.399
flat angles C4'-P-C4' energy: -124.817
flat angles P-C4'-P energy: -77.010
tors. eta vs tors. theta energy: -155.554
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: 21
Temperature: 0.950000
Total energy: -1847.783535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.783535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.783535 (E_RNA)
where:
Base-Base interactions energy: -1277.518
where: short stacking energy: -539.021
Base-Backbone interact. energy: -1.111
local terms energy: -569.154958
where:
bonds (distance) C4'-P energy: -103.768
bonds (distance) P-C4' energy: -117.704
flat angles C4'-P-C4' energy: -124.662
flat angles P-C4'-P energy: -80.972
tors. eta vs tors. theta energy: -142.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1758.150443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.150443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.150443 (E_RNA)
where:
Base-Base interactions energy: -1249.345
where: short stacking energy: -497.041
Base-Backbone interact. energy: -2.878
local terms energy: -505.927621
where:
bonds (distance) C4'-P energy: -84.956
bonds (distance) P-C4' energy: -100.992
flat angles C4'-P-C4' energy: -106.028
flat angles P-C4'-P energy: -71.082
tors. eta vs tors. theta energy: -142.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1654.279278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.279278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.279278 (E_RNA)
where:
Base-Base interactions energy: -1168.881
where: short stacking energy: -511.067
Base-Backbone interact. energy: 6.339
local terms energy: -491.736439
where:
bonds (distance) C4'-P energy: -88.383
bonds (distance) P-C4' energy: -86.856
flat angles C4'-P-C4' energy: -102.534
flat angles P-C4'-P energy: -76.395
tors. eta vs tors. theta energy: -137.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1553.510295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.510295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.510295 (E_RNA)
where:
Base-Base interactions energy: -1081.891
where: short stacking energy: -463.683
Base-Backbone interact. energy: 0.209
local terms energy: -471.827724
where:
bonds (distance) C4'-P energy: -96.717
bonds (distance) P-C4' energy: -94.894
flat angles C4'-P-C4' energy: -100.531
flat angles P-C4'-P energy: -67.684
tors. eta vs tors. theta energy: -112.002
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: 6
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1448.223506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.223506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.223506 (E_RNA)
where:
Base-Base interactions energy: -970.829
where: short stacking energy: -420.889
Base-Backbone interact. energy: -0.536
local terms energy: -476.858009
where:
bonds (distance) C4'-P energy: -106.223
bonds (distance) P-C4' energy: -87.162
flat angles C4'-P-C4' energy: -99.890
flat angles P-C4'-P energy: -80.146
tors. eta vs tors. theta energy: -103.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1297.207781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.207781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.207781 (E_RNA)
where:
Base-Base interactions energy: -861.859
where: short stacking energy: -362.062
Base-Backbone interact. energy: -1.429
local terms energy: -433.919686
where:
bonds (distance) C4'-P energy: -88.609
bonds (distance) P-C4' energy: -80.958
flat angles C4'-P-C4' energy: -102.100
flat angles P-C4'-P energy: -63.005
tors. eta vs tors. theta energy: -99.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -1302.757474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.757474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.757474 (E_RNA)
where:
Base-Base interactions energy: -922.333
where: short stacking energy: -397.834
Base-Backbone interact. energy: 0.253
local terms energy: -380.677362
where:
bonds (distance) C4'-P energy: -74.969
bonds (distance) P-C4' energy: -50.312
flat angles C4'-P-C4' energy: -98.429
flat angles P-C4'-P energy: -66.055
tors. eta vs tors. theta energy: -90.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -1029.696076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.696076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.696076 (E_RNA)
where:
Base-Base interactions energy: -644.285
where: short stacking energy: -285.180
Base-Backbone interact. energy: 0.671
local terms energy: -386.082407
where:
bonds (distance) C4'-P energy: -80.853
bonds (distance) P-C4' energy: -81.644
flat angles C4'-P-C4' energy: -96.603
flat angles P-C4'-P energy: -66.169
tors. eta vs tors. theta energy: -60.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -1068.620602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.620602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.620602 (E_RNA)
where:
Base-Base interactions energy: -702.122
where: short stacking energy: -303.731
Base-Backbone interact. energy: -1.865
local terms energy: -364.633263
where:
bonds (distance) C4'-P energy: -81.974
bonds (distance) P-C4' energy: -77.760
flat angles C4'-P-C4' energy: -77.701
flat angles P-C4'-P energy: -59.435
tors. eta vs tors. theta energy: -67.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1879.256444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.256444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.256444 (E_RNA)
where:
Base-Base interactions energy: -1337.300
where: short stacking energy: -533.153
Base-Backbone interact. energy: 1.546
local terms energy: -543.502771
where:
bonds (distance) C4'-P energy: -108.493
bonds (distance) P-C4' energy: -97.563
flat angles C4'-P-C4' energy: -123.658
flat angles P-C4'-P energy: -64.411
tors. eta vs tors. theta energy: -149.377
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: 22
Temperature: 0.950000
Total energy: -1845.381056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.381056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.381056 (E_RNA)
where:
Base-Base interactions energy: -1301.963
where: short stacking energy: -538.687
Base-Backbone interact. energy: -4.147
local terms energy: -539.271292
where:
bonds (distance) C4'-P energy: -88.696
bonds (distance) P-C4' energy: -104.162
flat angles C4'-P-C4' energy: -115.291
flat angles P-C4'-P energy: -81.132
tors. eta vs tors. theta energy: -149.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1772.896381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.896381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.896381 (E_RNA)
where:
Base-Base interactions energy: -1250.659
where: short stacking energy: -511.341
Base-Backbone interact. energy: -4.490
local terms energy: -517.747685
where:
bonds (distance) C4'-P energy: -88.515
bonds (distance) P-C4' energy: -95.670
flat angles C4'-P-C4' energy: -113.795
flat angles P-C4'-P energy: -73.487
tors. eta vs tors. theta energy: -146.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1652.273882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.273882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.273882 (E_RNA)
where:
Base-Base interactions energy: -1165.190
where: short stacking energy: -496.665
Base-Backbone interact. energy: -2.470
local terms energy: -484.613862
where:
bonds (distance) C4'-P energy: -77.043
bonds (distance) P-C4' energy: -90.999
flat angles C4'-P-C4' energy: -106.532
flat angles P-C4'-P energy: -74.377
tors. eta vs tors. theta energy: -135.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1572.876615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.876615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.876615 (E_RNA)
where:
Base-Base interactions energy: -1104.180
where: short stacking energy: -467.409
Base-Backbone interact. energy: -3.071
local terms energy: -465.625257
where:
bonds (distance) C4'-P energy: -86.416
bonds (distance) P-C4' energy: -93.307
flat angles C4'-P-C4' energy: -99.519
flat angles P-C4'-P energy: -62.976
tors. eta vs tors. theta energy: -123.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1489.489233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.489233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.489233 (E_RNA)
where:
Base-Base interactions energy: -1034.453
where: short stacking energy: -420.291
Base-Backbone interact. energy: 1.346
local terms energy: -456.383131
where:
bonds (distance) C4'-P energy: -97.830
bonds (distance) P-C4' energy: -87.136
flat angles C4'-P-C4' energy: -91.087
flat angles P-C4'-P energy: -59.429
tors. eta vs tors. theta energy: -120.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -1282.224032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.224032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.224032 (E_RNA)
where:
Base-Base interactions energy: -857.039
where: short stacking energy: -388.482
Base-Backbone interact. energy: -1.560
local terms energy: -423.625854
where:
bonds (distance) C4'-P energy: -99.545
bonds (distance) P-C4' energy: -98.894
flat angles C4'-P-C4' energy: -91.203
flat angles P-C4'-P energy: -59.018
tors. eta vs tors. theta energy: -74.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -1288.726126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.726126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.726126 (E_RNA)
where:
Base-Base interactions energy: -914.621
where: short stacking energy: -359.655
Base-Backbone interact. energy: -1.294
local terms energy: -372.810436
where:
bonds (distance) C4'-P energy: -84.809
bonds (distance) P-C4' energy: -85.762
flat angles C4'-P-C4' energy: -86.993
flat angles P-C4'-P energy: -43.918
tors. eta vs tors. theta energy: -71.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -1131.284346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.284346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.284346 (E_RNA)
where:
Base-Base interactions energy: -771.893
where: short stacking energy: -326.356
Base-Backbone interact. energy: -4.163
local terms energy: -355.227617
where:
bonds (distance) C4'-P energy: -80.650
bonds (distance) P-C4' energy: -85.827
flat angles C4'-P-C4' energy: -91.778
flat angles P-C4'-P energy: -43.287
tors. eta vs tors. theta energy: -53.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -956.246285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.246285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.246285 (E_RNA)
where:
Base-Base interactions energy: -618.736
where: short stacking energy: -255.570
Base-Backbone interact. energy: -3.920
local terms energy: -333.590903
where:
bonds (distance) C4'-P energy: -71.157
bonds (distance) P-C4' energy: -93.941
flat angles C4'-P-C4' energy: -75.693
flat angles P-C4'-P energy: -49.920
tors. eta vs tors. theta energy: -42.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1895.969950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.969950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.969950 (E_RNA)
where:
Base-Base interactions energy: -1348.566
where: short stacking energy: -530.061
Base-Backbone interact. energy: -0.095
local terms energy: -547.308804
where:
bonds (distance) C4'-P energy: -95.011
bonds (distance) P-C4' energy: -102.774
flat angles C4'-P-C4' energy: -120.548
flat angles P-C4'-P energy: -82.461
tors. eta vs tors. theta energy: -146.515
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: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1870.995926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.995926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.995926 (E_RNA)
where:
Base-Base interactions energy: -1334.822
where: short stacking energy: -545.473
Base-Backbone interact. energy: -2.945
local terms energy: -533.228943
where:
bonds (distance) C4'-P energy: -78.070
bonds (distance) P-C4' energy: -109.116
flat angles C4'-P-C4' energy: -114.977
flat angles P-C4'-P energy: -84.161
tors. eta vs tors. theta energy: -146.905
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: 3, replica: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1790.567822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.567822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.567822 (E_RNA)
where:
Base-Base interactions energy: -1264.471
where: short stacking energy: -510.165
Base-Backbone interact. energy: -3.139
local terms energy: -522.957682
where:
bonds (distance) C4'-P energy: -104.101
bonds (distance) P-C4' energy: -101.620
flat angles C4'-P-C4' energy: -112.400
flat angles P-C4'-P energy: -71.212
tors. eta vs tors. theta energy: -133.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1689.280912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.280912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.280912 (E_RNA)
where:
Base-Base interactions energy: -1178.129
where: short stacking energy: -494.879
Base-Backbone interact. energy: 3.071
local terms energy: -514.223494
where:
bonds (distance) C4'-P energy: -89.169
bonds (distance) P-C4' energy: -97.409
flat angles C4'-P-C4' energy: -110.228
flat angles P-C4'-P energy: -83.434
tors. eta vs tors. theta energy: -133.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1544.572157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.572157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.572157 (E_RNA)
where:
Base-Base interactions energy: -1089.071
where: short stacking energy: -434.293
Base-Backbone interact. energy: -2.381
local terms energy: -453.120349
where:
bonds (distance) C4'-P energy: -80.343
bonds (distance) P-C4' energy: -89.755
flat angles C4'-P-C4' energy: -106.264
flat angles P-C4'-P energy: -63.304
tors. eta vs tors. theta energy: -113.455
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: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1504.882784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.882784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.882784 (E_RNA)
where:
Base-Base interactions energy: -1021.645
where: short stacking energy: -419.141
Base-Backbone interact. energy: 0.835
local terms energy: -484.072275
where:
bonds (distance) C4'-P energy: -98.271
bonds (distance) P-C4' energy: -107.386
flat angles C4'-P-C4' energy: -103.938
flat angles P-C4'-P energy: -59.655
tors. eta vs tors. theta energy: -114.823
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: -1357.748096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.748096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.748096 (E_RNA)
where:
Base-Base interactions energy: -915.190
where: short stacking energy: -392.438
Base-Backbone interact. energy: -4.009
local terms energy: -438.549827
where:
bonds (distance) C4'-P energy: -94.908
bonds (distance) P-C4' energy: -97.507
flat angles C4'-P-C4' energy: -92.442
flat angles P-C4'-P energy: -63.711
tors. eta vs tors. theta energy: -89.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1275.364338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.364338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.364338 (E_RNA)
where:
Base-Base interactions energy: -867.547
where: short stacking energy: -345.373
Base-Backbone interact. energy: -0.380
local terms energy: -407.438019
where:
bonds (distance) C4'-P energy: -83.648
bonds (distance) P-C4' energy: -103.849
flat angles C4'-P-C4' energy: -85.771
flat angles P-C4'-P energy: -51.902
tors. eta vs tors. theta energy: -82.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -1112.028569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.028569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.028569 (E_RNA)
where:
Base-Base interactions energy: -730.482
where: short stacking energy: -309.401
Base-Backbone interact. energy: -1.863
local terms energy: -379.683502
where:
bonds (distance) C4'-P energy: -82.083
bonds (distance) P-C4' energy: -93.601
flat angles C4'-P-C4' energy: -83.818
flat angles P-C4'-P energy: -63.351
tors. eta vs tors. theta energy: -56.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -1010.876139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.876139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.876139 (E_RNA)
where:
Base-Base interactions energy: -659.416
where: short stacking energy: -290.270
Base-Backbone interact. energy: -0.375
local terms energy: -351.086065
where:
bonds (distance) C4'-P energy: -86.018
bonds (distance) P-C4' energy: -89.651
flat angles C4'-P-C4' energy: -72.785
flat angles P-C4'-P energy: -45.107
tors. eta vs tors. theta energy: -57.525
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: 2
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1905.750597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.750597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.750597 (E_RNA)
where:
Base-Base interactions energy: -1335.606
where: short stacking energy: -547.604
Base-Backbone interact. energy: -1.753
local terms energy: -568.391518
where:
bonds (distance) C4'-P energy: -98.967
bonds (distance) P-C4' energy: -114.369
flat angles C4'-P-C4' energy: -122.123
flat angles P-C4'-P energy: -83.741
tors. eta vs tors. theta energy: -149.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1843.405204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.405204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.405204 (E_RNA)
where:
Base-Base interactions energy: -1292.408
where: short stacking energy: -541.657
Base-Backbone interact. energy: -4.381
local terms energy: -546.616004
where:
bonds (distance) C4'-P energy: -90.864
bonds (distance) P-C4' energy: -113.529
flat angles C4'-P-C4' energy: -111.827
flat angles P-C4'-P energy: -81.231
tors. eta vs tors. theta energy: -149.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1762.912046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.912046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.912046 (E_RNA)
where:
Base-Base interactions energy: -1239.329
where: short stacking energy: -507.769
Base-Backbone interact. energy: -2.928
local terms energy: -520.654845
where:
bonds (distance) C4'-P energy: -92.945
bonds (distance) P-C4' energy: -104.987
flat angles C4'-P-C4' energy: -104.268
flat angles P-C4'-P energy: -72.217
tors. eta vs tors. theta energy: -146.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1657.322514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.322514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.322514 (E_RNA)
where:
Base-Base interactions energy: -1155.055
where: short stacking energy: -476.068
Base-Backbone interact. energy: 2.836
local terms energy: -505.102668
where:
bonds (distance) C4'-P energy: -103.952
bonds (distance) P-C4' energy: -92.132
flat angles C4'-P-C4' energy: -103.499
flat angles P-C4'-P energy: -75.787
tors. eta vs tors. theta energy: -129.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1578.838776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.838776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.838776 (E_RNA)
where:
Base-Base interactions energy: -1111.325
where: short stacking energy: -418.734
Base-Backbone interact. energy: -2.520
local terms energy: -464.993814
where:
bonds (distance) C4'-P energy: -82.359
bonds (distance) P-C4' energy: -99.528
flat angles C4'-P-C4' energy: -94.360
flat angles P-C4'-P energy: -80.600
tors. eta vs tors. theta energy: -108.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1498.411216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.411216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.411216 (E_RNA)
where:
Base-Base interactions energy: -1048.230
where: short stacking energy: -453.742
Base-Backbone interact. energy: -0.790
local terms energy: -449.391148
where:
bonds (distance) C4'-P energy: -71.415
bonds (distance) P-C4' energy: -96.038
flat angles C4'-P-C4' energy: -107.408
flat angles P-C4'-P energy: -58.019
tors. eta vs tors. theta energy: -116.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1410.754595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.754595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.754595 (E_RNA)
where:
Base-Base interactions energy: -956.880
where: short stacking energy: -390.551
Base-Backbone interact. energy: -2.439
local terms energy: -451.436098
where:
bonds (distance) C4'-P energy: -94.957
bonds (distance) P-C4' energy: -98.325
flat angles C4'-P-C4' energy: -85.339
flat angles P-C4'-P energy: -67.078
tors. eta vs tors. theta energy: -105.736
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: 24
Temperature: 1.250000
Total energy: -1247.935361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.935361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.935361 (E_RNA)
where:
Base-Base interactions energy: -856.924
where: short stacking energy: -369.245
Base-Backbone interact. energy: 1.890
local terms energy: -392.901852
where:
bonds (distance) C4'-P energy: -87.192
bonds (distance) P-C4' energy: -67.028
flat angles C4'-P-C4' energy: -79.794
flat angles P-C4'-P energy: -74.160
tors. eta vs tors. theta energy: -84.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -1108.944440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.944440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.944440 (E_RNA)
where:
Base-Base interactions energy: -757.903
where: short stacking energy: -316.849
Base-Backbone interact. energy: 1.459
local terms energy: -352.500020
where:
bonds (distance) C4'-P energy: -75.155
bonds (distance) P-C4' energy: -76.961
flat angles C4'-P-C4' energy: -89.024
flat angles P-C4'-P energy: -47.113
tors. eta vs tors. theta energy: -64.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -932.285084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.285084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.285084 (E_RNA)
where:
Base-Base interactions energy: -608.594
where: short stacking energy: -258.272
Base-Backbone interact. energy: -1.902
local terms energy: -321.788994
where:
bonds (distance) C4'-P energy: -67.545
bonds (distance) P-C4' energy: -92.041
flat angles C4'-P-C4' energy: -76.914
flat angles P-C4'-P energy: -46.661
tors. eta vs tors. theta energy: -38.628
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: 25
Temperature: 0.900000
Total energy: -1920.834398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.834398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.834398 (E_RNA)
where:
Base-Base interactions energy: -1358.776
where: short stacking energy: -557.027
Base-Backbone interact. energy: -3.281
local terms energy: -558.778104
where:
bonds (distance) C4'-P energy: -98.886
bonds (distance) P-C4' energy: -99.388
flat angles C4'-P-C4' energy: -121.130
flat angles P-C4'-P energy: -84.443
tors. eta vs tors. theta energy: -154.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1852.857998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.857998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.857998 (E_RNA)
where:
Base-Base interactions energy: -1299.658
where: short stacking energy: -526.685
Base-Backbone interact. energy: -4.347
local terms energy: -548.852608
where:
bonds (distance) C4'-P energy: -98.530
bonds (distance) P-C4' energy: -107.445
flat angles C4'-P-C4' energy: -119.400
flat angles P-C4'-P energy: -73.518
tors. eta vs tors. theta energy: -149.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1778.862638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.862638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.862638 (E_RNA)
where:
Base-Base interactions energy: -1244.702
where: short stacking energy: -517.401
Base-Backbone interact. energy: -2.584
local terms energy: -531.576453
where:
bonds (distance) C4'-P energy: -91.517
bonds (distance) P-C4' energy: -91.942
flat angles C4'-P-C4' energy: -117.588
flat angles P-C4'-P energy: -85.284
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: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1655.368182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.368182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.368182 (E_RNA)
where:
Base-Base interactions energy: -1156.098
where: short stacking energy: -488.586
Base-Backbone interact. energy: -3.124
local terms energy: -496.146943
where:
bonds (distance) C4'-P energy: -102.278
bonds (distance) P-C4' energy: -94.066
flat angles C4'-P-C4' energy: -103.189
flat angles P-C4'-P energy: -63.360
tors. eta vs tors. theta energy: -133.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1496.322328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.322328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.322328 (E_RNA)
where:
Base-Base interactions energy: -1030.452
where: short stacking energy: -444.255
Base-Backbone interact. energy: -2.729
local terms energy: -463.141089
where:
bonds (distance) C4'-P energy: -84.403
bonds (distance) P-C4' energy: -99.427
flat angles C4'-P-C4' energy: -95.771
flat angles P-C4'-P energy: -62.514
tors. eta vs tors. theta energy: -121.027
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: 8
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1459.935376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.935376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.935376 (E_RNA)
where:
Base-Base interactions energy: -992.778
where: short stacking energy: -400.169
Base-Backbone interact. energy: -1.730
local terms energy: -465.427264
where:
bonds (distance) C4'-P energy: -98.259
bonds (distance) P-C4' energy: -97.539
flat angles C4'-P-C4' energy: -98.334
flat angles P-C4'-P energy: -78.674
tors. eta vs tors. theta energy: -92.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1431.547402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.547402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.547402 (E_RNA)
where:
Base-Base interactions energy: -986.012
where: short stacking energy: -396.092
Base-Backbone interact. energy: -0.562
local terms energy: -444.973924
where:
bonds (distance) C4'-P energy: -82.298
bonds (distance) P-C4' energy: -94.972
flat angles C4'-P-C4' energy: -101.659
flat angles P-C4'-P energy: -71.913
tors. eta vs tors. theta energy: -94.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -1142.730399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.730399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.730399 (E_RNA)
where:
Base-Base interactions energy: -752.134
where: short stacking energy: -332.854
Base-Backbone interact. energy: 1.189
local terms energy: -391.785514
where:
bonds (distance) C4'-P energy: -79.104
bonds (distance) P-C4' energy: -95.579
flat angles C4'-P-C4' energy: -94.759
flat angles P-C4'-P energy: -61.713
tors. eta vs tors. theta energy: -60.631
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: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -1230.897790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.897790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.897790 (E_RNA)
where:
Base-Base interactions energy: -826.720
where: short stacking energy: -348.725
Base-Backbone interact. energy: -4.960
local terms energy: -399.217628
where:
bonds (distance) C4'-P energy: -82.993
bonds (distance) P-C4' energy: -87.462
flat angles C4'-P-C4' energy: -93.589
flat angles P-C4'-P energy: -55.157
tors. eta vs tors. theta energy: -80.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -933.214202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.214202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.214202 (E_RNA)
where:
Base-Base interactions energy: -612.789
where: short stacking energy: -267.801
Base-Backbone interact. energy: -0.926
local terms energy: -319.499700
where:
bonds (distance) C4'-P energy: -73.907
bonds (distance) P-C4' energy: -72.449
flat angles C4'-P-C4' energy: -79.214
flat angles P-C4'-P energy: -50.645
tors. eta vs tors. theta energy: -43.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1919.207442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.207442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.207442 (E_RNA)
where:
Base-Base interactions energy: -1353.435
where: short stacking energy: -556.809
Base-Backbone interact. energy: -5.840
local terms energy: -559.932818
where:
bonds (distance) C4'-P energy: -102.576
bonds (distance) P-C4' energy: -108.601
flat angles C4'-P-C4' energy: -122.975
flat angles P-C4'-P energy: -75.590
tors. eta vs tors. theta energy: -150.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1842.843102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.843102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.843102 (E_RNA)
where:
Base-Base interactions energy: -1324.061
where: short stacking energy: -535.129
Base-Backbone interact. energy: -2.307
local terms energy: -516.475941
where:
bonds (distance) C4'-P energy: -89.251
bonds (distance) P-C4' energy: -98.807
flat angles C4'-P-C4' energy: -106.300
flat angles P-C4'-P energy: -78.752
tors. eta vs tors. theta energy: -143.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1790.032454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.032454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.032454 (E_RNA)
where:
Base-Base interactions energy: -1253.043
where: short stacking energy: -511.200
Base-Backbone interact. energy: 1.219
local terms energy: -538.208668
where:
bonds (distance) C4'-P energy: -106.164
bonds (distance) P-C4' energy: -87.795
flat angles C4'-P-C4' energy: -116.077
flat angles P-C4'-P energy: -82.872
tors. eta vs tors. theta energy: -145.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1650.999589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.999589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.999589 (E_RNA)
where:
Base-Base interactions energy: -1168.019
where: short stacking energy: -486.134
Base-Backbone interact. energy: 2.888
local terms energy: -485.868409
where:
bonds (distance) C4'-P energy: -73.983
bonds (distance) P-C4' energy: -93.406
flat angles C4'-P-C4' energy: -112.893
flat angles P-C4'-P energy: -70.109
tors. eta vs tors. theta energy: -135.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1506.890231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.890231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.890231 (E_RNA)
where:
Base-Base interactions energy: -1058.396
where: short stacking energy: -435.519
Base-Backbone interact. energy: -2.228
local terms energy: -446.266359
where:
bonds (distance) C4'-P energy: -65.569
bonds (distance) P-C4' energy: -84.102
flat angles C4'-P-C4' energy: -95.840
flat angles P-C4'-P energy: -82.185
tors. eta vs tors. theta energy: -118.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1459.481037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.481037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.481037 (E_RNA)
where:
Base-Base interactions energy: -1030.493
where: short stacking energy: -413.853
Base-Backbone interact. energy: -3.321
local terms energy: -425.667737
where:
bonds (distance) C4'-P energy: -68.268
bonds (distance) P-C4' energy: -98.493
flat angles C4'-P-C4' energy: -79.572
flat angles P-C4'-P energy: -63.363
tors. eta vs tors. theta energy: -115.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -1383.575610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.575610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.575610 (E_RNA)
where:
Base-Base interactions energy: -955.882
where: short stacking energy: -396.832
Base-Backbone interact. energy: -3.994
local terms energy: -423.700418
where:
bonds (distance) C4'-P energy: -81.830
bonds (distance) P-C4' energy: -92.411
flat angles C4'-P-C4' energy: -109.598
flat angles P-C4'-P energy: -46.654
tors. eta vs tors. theta energy: -93.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -1122.682985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.682985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.682985 (E_RNA)
where:
Base-Base interactions energy: -739.746
where: short stacking energy: -326.297
Base-Backbone interact. energy: -4.999
local terms energy: -377.937632
where:
bonds (distance) C4'-P energy: -71.763
bonds (distance) P-C4' energy: -94.540
flat angles C4'-P-C4' energy: -96.556
flat angles P-C4'-P energy: -49.472
tors. eta vs tors. theta energy: -65.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -1264.772940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.772940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.772940 (E_RNA)
where:
Base-Base interactions energy: -873.491
where: short stacking energy: -352.486
Base-Backbone interact. energy: -1.675
local terms energy: -389.606762
where:
bonds (distance) C4'-P energy: -83.510
bonds (distance) P-C4' energy: -93.756
flat angles C4'-P-C4' energy: -87.150
flat angles P-C4'-P energy: -53.816
tors. eta vs tors. theta energy: -71.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -993.758592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.758592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.758592 (E_RNA)
where:
Base-Base interactions energy: -637.678
where: short stacking energy: -288.140
Base-Backbone interact. energy: -0.514
local terms energy: -355.566519
where:
bonds (distance) C4'-P energy: -82.785
bonds (distance) P-C4' energy: -85.858
flat angles C4'-P-C4' energy: -95.328
flat angles P-C4'-P energy: -35.733
tors. eta vs tors. theta energy: -55.863
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: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1894.916194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.916194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.916194 (E_RNA)
where:
Base-Base interactions energy: -1339.966
where: short stacking energy: -528.402
Base-Backbone interact. energy: 0.066
local terms energy: -555.015674
where:
bonds (distance) C4'-P energy: -95.021
bonds (distance) P-C4' energy: -110.773
flat angles C4'-P-C4' energy: -112.006
flat angles P-C4'-P energy: -88.027
tors. eta vs tors. theta energy: -149.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1848.171749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.171749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.171749 (E_RNA)
where:
Base-Base interactions energy: -1313.598
where: short stacking energy: -519.388
Base-Backbone interact. energy: 3.181
local terms energy: -537.755358
where:
bonds (distance) C4'-P energy: -108.439
bonds (distance) P-C4' energy: -95.633
flat angles C4'-P-C4' energy: -119.579
flat angles P-C4'-P energy: -63.798
tors. eta vs tors. theta energy: -150.306
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: 3, replica: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1786.856514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.856514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.856514 (E_RNA)
where:
Base-Base interactions energy: -1244.611
where: short stacking energy: -535.945
Base-Backbone interact. energy: -3.171
local terms energy: -539.074524
where:
bonds (distance) C4'-P energy: -85.938
bonds (distance) P-C4' energy: -110.155
flat angles C4'-P-C4' energy: -115.778
flat angles P-C4'-P energy: -73.475
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: 4, replica: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1666.026194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.026194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.026194 (E_RNA)
where:
Base-Base interactions energy: -1162.118
where: short stacking energy: -479.149
Base-Backbone interact. energy: 10.605
local terms energy: -514.513979
where:
bonds (distance) C4'-P energy: -106.943
bonds (distance) P-C4' energy: -96.718
flat angles C4'-P-C4' energy: -114.594
flat angles P-C4'-P energy: -60.788
tors. eta vs tors. theta energy: -135.471
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: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1623.021543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.021543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.021543 (E_RNA)
where:
Base-Base interactions energy: -1107.206
where: short stacking energy: -453.420
Base-Backbone interact. energy: -2.322
local terms energy: -513.493386
where:
bonds (distance) C4'-P energy: -101.257
bonds (distance) P-C4' energy: -108.110
flat angles C4'-P-C4' energy: -105.662
flat angles P-C4'-P energy: -77.506
tors. eta vs tors. theta energy: -120.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1409.077957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.077957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.077957 (E_RNA)
where:
Base-Base interactions energy: -990.803
where: short stacking energy: -422.396
Base-Backbone interact. energy: -0.092
local terms energy: -418.183538
where:
bonds (distance) C4'-P energy: -76.480
bonds (distance) P-C4' energy: -73.127
flat angles C4'-P-C4' energy: -110.076
flat angles P-C4'-P energy: -57.899
tors. eta vs tors. theta energy: -100.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1383.204489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.204489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.204489 (E_RNA)
where:
Base-Base interactions energy: -966.439
where: short stacking energy: -408.967
Base-Backbone interact. energy: -0.464
local terms energy: -416.301785
where:
bonds (distance) C4'-P energy: -88.492
bonds (distance) P-C4' energy: -85.074
flat angles C4'-P-C4' energy: -92.264
flat angles P-C4'-P energy: -60.866
tors. eta vs tors. theta energy: -89.607
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: 8, replica: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -1310.207320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.207320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.207320 (E_RNA)
where:
Base-Base interactions energy: -874.520
where: short stacking energy: -373.561
Base-Backbone interact. energy: -1.671
local terms energy: -434.015986
where:
bonds (distance) C4'-P energy: -82.278
bonds (distance) P-C4' energy: -80.714
flat angles C4'-P-C4' energy: -95.878
flat angles P-C4'-P energy: -73.920
tors. eta vs tors. theta energy: -101.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -1087.516235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.516235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.516235 (E_RNA)
where:
Base-Base interactions energy: -707.534
where: short stacking energy: -322.828
Base-Backbone interact. energy: 2.486
local terms energy: -382.468337
where:
bonds (distance) C4'-P energy: -85.492
bonds (distance) P-C4' energy: -81.209
flat angles C4'-P-C4' energy: -97.960
flat angles P-C4'-P energy: -48.563
tors. eta vs tors. theta energy: -69.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -1017.895224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.895224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.895224 (E_RNA)
where:
Base-Base interactions energy: -667.777
where: short stacking energy: -266.039
Base-Backbone interact. energy: 6.203
local terms energy: -356.321176
where:
bonds (distance) C4'-P energy: -81.000
bonds (distance) P-C4' energy: -99.260
flat angles C4'-P-C4' energy: -82.813
flat angles P-C4'-P energy: -41.662
tors. eta vs tors. theta energy: -51.586
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: 28
Temperature: 0.900000
Total energy: -1875.165730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.165730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.165730 (E_RNA)
where:
Base-Base interactions energy: -1298.019
where: short stacking energy: -561.929
Base-Backbone interact. energy: -0.077
local terms energy: -577.070614
where:
bonds (distance) C4'-P energy: -97.585
bonds (distance) P-C4' energy: -120.250
flat angles C4'-P-C4' energy: -116.459
flat angles P-C4'-P energy: -84.885
tors. eta vs tors. theta energy: -157.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1876.824193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.824193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.824193 (E_RNA)
where:
Base-Base interactions energy: -1365.049
where: short stacking energy: -549.390
Base-Backbone interact. energy: -1.019
local terms energy: -510.756572
where:
bonds (distance) C4'-P energy: -92.400
bonds (distance) P-C4' energy: -82.932
flat angles C4'-P-C4' energy: -118.528
flat angles P-C4'-P energy: -68.861
tors. eta vs tors. theta energy: -148.036
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: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1798.544866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.544866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.544866 (E_RNA)
where:
Base-Base interactions energy: -1279.799
where: short stacking energy: -527.031
Base-Backbone interact. energy: -0.955
local terms energy: -517.791107
where:
bonds (distance) C4'-P energy: -102.569
bonds (distance) P-C4' energy: -99.019
flat angles C4'-P-C4' energy: -105.816
flat angles P-C4'-P energy: -71.893
tors. eta vs tors. theta energy: -138.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1646.989694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.989694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.989694 (E_RNA)
where:
Base-Base interactions energy: -1163.280
where: short stacking energy: -466.389
Base-Backbone interact. energy: 0.811
local terms energy: -484.520893
where:
bonds (distance) C4'-P energy: -90.564
bonds (distance) P-C4' energy: -98.357
flat angles C4'-P-C4' energy: -103.937
flat angles P-C4'-P energy: -69.140
tors. eta vs tors. theta energy: -122.524
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: 5, replica: 3
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1577.794095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.794095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.794095 (E_RNA)
where:
Base-Base interactions energy: -1076.850
where: short stacking energy: -459.249
Base-Backbone interact. energy: -3.739
local terms energy: -497.204524
where:
bonds (distance) C4'-P energy: -96.333
bonds (distance) P-C4' energy: -98.730
flat angles C4'-P-C4' energy: -107.982
flat angles P-C4'-P energy: -71.290
tors. eta vs tors. theta energy: -122.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1455.785768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.785768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.785768 (E_RNA)
where:
Base-Base interactions energy: -1004.420
where: short stacking energy: -411.717
Base-Backbone interact. energy: -2.398
local terms energy: -448.968473
where:
bonds (distance) C4'-P energy: -87.695
bonds (distance) P-C4' energy: -83.187
flat angles C4'-P-C4' energy: -106.469
flat angles P-C4'-P energy: -62.073
tors. eta vs tors. theta energy: -109.545
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: 6
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1415.094980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.094980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.094980 (E_RNA)
where:
Base-Base interactions energy: -1007.898
where: short stacking energy: -383.897
Base-Backbone interact. energy: -0.250
local terms energy: -406.947357
where:
bonds (distance) C4'-P energy: -77.719
bonds (distance) P-C4' energy: -89.704
flat angles C4'-P-C4' energy: -91.652
flat angles P-C4'-P energy: -63.752
tors. eta vs tors. theta energy: -84.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -1325.452054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.452054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.452054 (E_RNA)
where:
Base-Base interactions energy: -890.802
where: short stacking energy: -364.930
Base-Backbone interact. energy: -2.398
local terms energy: -432.251593
where:
bonds (distance) C4'-P energy: -82.826
bonds (distance) P-C4' energy: -86.688
flat angles C4'-P-C4' energy: -114.027
flat angles P-C4'-P energy: -55.713
tors. eta vs tors. theta energy: -92.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -1042.907312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.907312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.907312 (E_RNA)
where:
Base-Base interactions energy: -680.771
where: short stacking energy: -295.307
Base-Backbone interact. energy: 1.941
local terms energy: -364.078149
where:
bonds (distance) C4'-P energy: -92.413
bonds (distance) P-C4' energy: -100.022
flat angles C4'-P-C4' energy: -72.919
flat angles P-C4'-P energy: -51.366
tors. eta vs tors. theta energy: -47.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -1009.216299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.216299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.216299 (E_RNA)
where:
Base-Base interactions energy: -667.901
where: short stacking energy: -268.539
Base-Backbone interact. energy: -0.957
local terms energy: -340.357891
where:
bonds (distance) C4'-P energy: -80.724
bonds (distance) P-C4' energy: -86.652
flat angles C4'-P-C4' energy: -89.731
flat angles P-C4'-P energy: -42.594
tors. eta vs tors. theta energy: -40.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1876.477800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.477800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.477800 (E_RNA)
where:
Base-Base interactions energy: -1303.601
where: short stacking energy: -521.367
Base-Backbone interact. energy: -2.676
local terms energy: -570.200722
where:
bonds (distance) C4'-P energy: -117.222
bonds (distance) P-C4' energy: -99.938
flat angles C4'-P-C4' energy: -119.651
flat angles P-C4'-P energy: -82.657
tors. eta vs tors. theta energy: -150.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1855.877203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.877203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.877203 (E_RNA)
where:
Base-Base interactions energy: -1315.643
where: short stacking energy: -532.457
Base-Backbone interact. energy: -0.517
local terms energy: -539.717823
where:
bonds (distance) C4'-P energy: -93.939
bonds (distance) P-C4' energy: -103.430
flat angles C4'-P-C4' energy: -119.299
flat angles P-C4'-P energy: -86.085
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: 3, replica: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1738.773005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.773005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.773005 (E_RNA)
where:
Base-Base interactions energy: -1204.600
where: short stacking energy: -491.939
Base-Backbone interact. energy: 0.347
local terms energy: -534.519824
where:
bonds (distance) C4'-P energy: -99.422
bonds (distance) P-C4' energy: -96.116
flat angles C4'-P-C4' energy: -107.162
flat angles P-C4'-P energy: -89.861
tors. eta vs tors. theta energy: -141.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1656.602616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.602616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.602616 (E_RNA)
where:
Base-Base interactions energy: -1163.304
where: short stacking energy: -481.601
Base-Backbone interact. energy: 2.446
local terms energy: -495.745396
where:
bonds (distance) C4'-P energy: -85.417
bonds (distance) P-C4' energy: -99.338
flat angles C4'-P-C4' energy: -112.161
flat angles P-C4'-P energy: -72.394
tors. eta vs tors. theta energy: -126.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1540.901888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.901888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.901888 (E_RNA)
where:
Base-Base interactions energy: -1071.548
where: short stacking energy: -448.408
Base-Backbone interact. energy: -1.221
local terms energy: -468.132676
where:
bonds (distance) C4'-P energy: -78.210
bonds (distance) P-C4' energy: -88.499
flat angles C4'-P-C4' energy: -110.869
flat angles P-C4'-P energy: -77.642
tors. eta vs tors. theta energy: -112.914
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: 6
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1476.164363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.164363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.164363 (E_RNA)
where:
Base-Base interactions energy: -1021.293
where: short stacking energy: -407.485
Base-Backbone interact. energy: -2.152
local terms energy: -452.719357
where:
bonds (distance) C4'-P energy: -87.737
bonds (distance) P-C4' energy: -94.140
flat angles C4'-P-C4' energy: -104.807
flat angles P-C4'-P energy: -68.453
tors. eta vs tors. theta energy: -97.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1365.657477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.657477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.657477 (E_RNA)
where:
Base-Base interactions energy: -938.825
where: short stacking energy: -390.176
Base-Backbone interact. energy: -2.820
local terms energy: -424.012858
where:
bonds (distance) C4'-P energy: -92.899
bonds (distance) P-C4' energy: -87.813
flat angles C4'-P-C4' energy: -83.241
flat angles P-C4'-P energy: -67.646
tors. eta vs tors. theta energy: -92.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -1272.853211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.853211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.853211 (E_RNA)
where:
Base-Base interactions energy: -867.335
where: short stacking energy: -366.743
Base-Backbone interact. energy: -1.495
local terms energy: -404.023801
where:
bonds (distance) C4'-P energy: -67.803
bonds (distance) P-C4' energy: -91.507
flat angles C4'-P-C4' energy: -95.803
flat angles P-C4'-P energy: -57.219
tors. eta vs tors. theta energy: -91.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -1078.349457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.349457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.349457 (E_RNA)
where:
Base-Base interactions energy: -711.604
where: short stacking energy: -295.941
Base-Backbone interact. energy: 6.220
local terms energy: -372.965228
where:
bonds (distance) C4'-P energy: -87.700
bonds (distance) P-C4' energy: -73.008
flat angles C4'-P-C4' energy: -102.315
flat angles P-C4'-P energy: -55.750
tors. eta vs tors. theta energy: -54.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -1054.857011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.857011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.857011 (E_RNA)
where:
Base-Base interactions energy: -714.674
where: short stacking energy: -315.441
Base-Backbone interact. energy: -2.887
local terms energy: -337.295645
where:
bonds (distance) C4'-P energy: -77.867
bonds (distance) P-C4' energy: -73.265
flat angles C4'-P-C4' energy: -77.872
flat angles P-C4'-P energy: -52.280
tors. eta vs tors. theta energy: -56.013
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: 30
Temperature: 0.900000
Total energy: -1867.222537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.222537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.222537 (E_RNA)
where:
Base-Base interactions energy: -1317.091
where: short stacking energy: -536.476
Base-Backbone interact. energy: -1.134
local terms energy: -548.997160
where:
bonds (distance) C4'-P energy: -106.412
bonds (distance) P-C4' energy: -102.932
flat angles C4'-P-C4' energy: -107.631
flat angles P-C4'-P energy: -79.030
tors. eta vs tors. theta energy: -152.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1830.505698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.505698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.505698 (E_RNA)
where:
Base-Base interactions energy: -1297.957
where: short stacking energy: -520.431
Base-Backbone interact. energy: -4.300
local terms energy: -528.248799
where:
bonds (distance) C4'-P energy: -105.318
bonds (distance) P-C4' energy: -91.747
flat angles C4'-P-C4' energy: -108.923
flat angles P-C4'-P energy: -78.239
tors. eta vs tors. theta energy: -144.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1740.506159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.506159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.506159 (E_RNA)
where:
Base-Base interactions energy: -1213.340
where: short stacking energy: -480.332
Base-Backbone interact. energy: 0.910
local terms energy: -528.076435
where:
bonds (distance) C4'-P energy: -111.929
bonds (distance) P-C4' energy: -99.992
flat angles C4'-P-C4' energy: -114.745
flat angles P-C4'-P energy: -72.593
tors. eta vs tors. theta energy: -128.818
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: 4
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1672.167443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.167443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.167443 (E_RNA)
where:
Base-Base interactions energy: -1151.097
where: short stacking energy: -497.253
Base-Backbone interact. energy: -3.251
local terms energy: -517.819725
where:
bonds (distance) C4'-P energy: -94.721
bonds (distance) P-C4' energy: -94.268
flat angles C4'-P-C4' energy: -114.108
flat angles P-C4'-P energy: -77.444
tors. eta vs tors. theta energy: -137.279
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: 6
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1507.430035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.430035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.430035 (E_RNA)
where:
Base-Base interactions energy: -1044.822
where: short stacking energy: -424.217
Base-Backbone interact. energy: -4.902
local terms energy: -457.705979
where:
bonds (distance) C4'-P energy: -95.496
bonds (distance) P-C4' energy: -97.325
flat angles C4'-P-C4' energy: -89.278
flat angles P-C4'-P energy: -71.163
tors. eta vs tors. theta energy: -104.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1514.692284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.692284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.692284 (E_RNA)
where:
Base-Base interactions energy: -1049.801
where: short stacking energy: -442.312
Base-Backbone interact. energy: -3.566
local terms energy: -461.324676
where:
bonds (distance) C4'-P energy: -74.608
bonds (distance) P-C4' energy: -79.553
flat angles C4'-P-C4' energy: -116.696
flat angles P-C4'-P energy: -75.537
tors. eta vs tors. theta energy: -114.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1347.377322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.377322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.377322 (E_RNA)
where:
Base-Base interactions energy: -946.038
where: short stacking energy: -385.969
Base-Backbone interact. energy: 2.814
local terms energy: -404.153545
where:
bonds (distance) C4'-P energy: -83.320
bonds (distance) P-C4' energy: -90.661
flat angles C4'-P-C4' energy: -90.693
flat angles P-C4'-P energy: -64.061
tors. eta vs tors. theta energy: -75.419
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: 7
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1313.056550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.056550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.056550 (E_RNA)
where:
Base-Base interactions energy: -879.266
where: short stacking energy: -383.445
Base-Backbone interact. energy: 3.397
local terms energy: -437.187505
where:
bonds (distance) C4'-P energy: -100.780
bonds (distance) P-C4' energy: -80.203
flat angles C4'-P-C4' energy: -97.442
flat angles P-C4'-P energy: -71.009
tors. eta vs tors. theta energy: -87.754
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: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -1035.500558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.500558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.500558 (E_RNA)
where:
Base-Base interactions energy: -693.473
where: short stacking energy: -277.123
Base-Backbone interact. energy: 0.228
local terms energy: -342.255434
where:
bonds (distance) C4'-P energy: -76.079
bonds (distance) P-C4' energy: -84.916
flat angles C4'-P-C4' energy: -95.088
flat angles P-C4'-P energy: -48.199
tors. eta vs tors. theta energy: -37.974
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: 30
Temperature: 1.350000
Total energy: -1003.196681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.196681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.196681 (E_RNA)
where:
Base-Base interactions energy: -640.592
where: short stacking energy: -271.926
Base-Backbone interact. energy: 0.260
local terms energy: -362.864693
where:
bonds (distance) C4'-P energy: -60.332
bonds (distance) P-C4' energy: -98.052
flat angles C4'-P-C4' energy: -91.685
flat angles P-C4'-P energy: -61.522
tors. eta vs tors. theta energy: -51.274
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: 31
Temperature: 0.900000
Total energy: -1872.057020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.057020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.057020 (E_RNA)
where:
Base-Base interactions energy: -1312.455
where: short stacking energy: -537.531
Base-Backbone interact. energy: -1.206
local terms energy: -558.396360
where:
bonds (distance) C4'-P energy: -101.040
bonds (distance) P-C4' energy: -106.117
flat angles C4'-P-C4' energy: -116.755
flat angles P-C4'-P energy: -88.947
tors. eta vs tors. theta energy: -145.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1851.831622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.831622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.831622 (E_RNA)
where:
Base-Base interactions energy: -1310.361
where: short stacking energy: -529.751
Base-Backbone interact. energy: 1.751
local terms energy: -543.222209
where:
bonds (distance) C4'-P energy: -95.419
bonds (distance) P-C4' energy: -103.082
flat angles C4'-P-C4' energy: -118.036
flat angles P-C4'-P energy: -80.559
tors. eta vs tors. theta energy: -146.127
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: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1737.526263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.526263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.526263 (E_RNA)
where:
Base-Base interactions energy: -1212.064
where: short stacking energy: -526.737
Base-Backbone interact. energy: -3.508
local terms energy: -521.954131
where:
bonds (distance) C4'-P energy: -94.237
bonds (distance) P-C4' energy: -95.555
flat angles C4'-P-C4' energy: -109.406
flat angles P-C4'-P energy: -75.055
tors. eta vs tors. theta energy: -147.701
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: 31
Temperature: 1.050000
Total energy: -1698.562791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.562791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.562791 (E_RNA)
where:
Base-Base interactions energy: -1210.071
where: short stacking energy: -509.138
Base-Backbone interact. energy: 0.463
local terms energy: -488.955475
where:
bonds (distance) C4'-P energy: -89.359
bonds (distance) P-C4' energy: -95.363
flat angles C4'-P-C4' energy: -107.175
flat angles P-C4'-P energy: -73.155
tors. eta vs tors. theta energy: -123.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1527.050847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.050847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.050847 (E_RNA)
where:
Base-Base interactions energy: -1051.445
where: short stacking energy: -456.026
Base-Backbone interact. energy: 1.482
local terms energy: -477.087944
where:
bonds (distance) C4'-P energy: -90.730
bonds (distance) P-C4' energy: -90.865
flat angles C4'-P-C4' energy: -107.165
flat angles P-C4'-P energy: -70.714
tors. eta vs tors. theta energy: -117.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1478.869512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.869512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.869512 (E_RNA)
where:
Base-Base interactions energy: -1013.483
where: short stacking energy: -438.977
Base-Backbone interact. energy: -0.972
local terms energy: -464.414013
where:
bonds (distance) C4'-P energy: -68.607
bonds (distance) P-C4' energy: -92.338
flat angles C4'-P-C4' energy: -101.672
flat angles P-C4'-P energy: -77.025
tors. eta vs tors. theta energy: -124.771
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: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1329.163967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.163967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.163967 (E_RNA)
where:
Base-Base interactions energy: -904.982
where: short stacking energy: -376.583
Base-Backbone interact. energy: -0.769
local terms energy: -423.412675
where:
bonds (distance) C4'-P energy: -86.863
bonds (distance) P-C4' energy: -101.416
flat angles C4'-P-C4' energy: -91.996
flat angles P-C4'-P energy: -64.459
tors. eta vs tors. theta energy: -78.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1312.270041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.270041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.270041 (E_RNA)
where:
Base-Base interactions energy: -858.646
where: short stacking energy: -365.308
Base-Backbone interact. energy: -2.316
local terms energy: -451.307731
where:
bonds (distance) C4'-P energy: -89.785
bonds (distance) P-C4' energy: -98.968
flat angles C4'-P-C4' energy: -98.851
flat angles P-C4'-P energy: -66.454
tors. eta vs tors. theta energy: -97.250
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: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -1013.161290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.161290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.161290 (E_RNA)
where:
Base-Base interactions energy: -683.168
where: short stacking energy: -299.484
Base-Backbone interact. energy: 8.088
local terms energy: -338.081212
where:
bonds (distance) C4'-P energy: -76.174
bonds (distance) P-C4' energy: -85.146
flat angles C4'-P-C4' energy: -72.954
flat angles P-C4'-P energy: -57.264
tors. eta vs tors. theta energy: -46.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -1041.596681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.596681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.596681 (E_RNA)
where:
Base-Base interactions energy: -651.347
where: short stacking energy: -276.858
Base-Backbone interact. energy: -1.612
local terms energy: -388.637865
where:
bonds (distance) C4'-P energy: -89.886
bonds (distance) P-C4' energy: -99.888
flat angles C4'-P-C4' energy: -92.044
flat angles P-C4'-P energy: -57.444
tors. eta vs tors. theta energy: -49.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1884.743762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.743762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.743762 (E_RNA)
where:
Base-Base interactions energy: -1319.872
where: short stacking energy: -554.732
Base-Backbone interact. energy: -3.997
local terms energy: -560.874207
where:
bonds (distance) C4'-P energy: -103.154
bonds (distance) P-C4' energy: -100.974
flat angles C4'-P-C4' energy: -116.142
flat angles P-C4'-P energy: -82.691
tors. eta vs tors. theta energy: -157.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1842.529456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.529456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.529456 (E_RNA)
where:
Base-Base interactions energy: -1329.918
where: short stacking energy: -543.616
Base-Backbone interact. energy: 1.336
local terms energy: -513.947464
where:
bonds (distance) C4'-P energy: -85.889
bonds (distance) P-C4' energy: -96.255
flat angles C4'-P-C4' energy: -121.946
flat angles P-C4'-P energy: -70.017
tors. eta vs tors. theta energy: -139.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1725.399206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.399206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.399206 (E_RNA)
where:
Base-Base interactions energy: -1210.645
where: short stacking energy: -488.505
Base-Backbone interact. energy: -2.760
local terms energy: -511.994073
where:
bonds (distance) C4'-P energy: -91.657
bonds (distance) P-C4' energy: -105.548
flat angles C4'-P-C4' energy: -111.446
flat angles P-C4'-P energy: -66.062
tors. eta vs tors. theta energy: -137.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1678.241961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.241961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.241961 (E_RNA)
where:
Base-Base interactions energy: -1172.356
where: short stacking energy: -488.011
Base-Backbone interact. energy: -3.925
local terms energy: -501.961065
where:
bonds (distance) C4'-P energy: -83.196
bonds (distance) P-C4' energy: -91.507
flat angles C4'-P-C4' energy: -108.717
flat angles P-C4'-P energy: -78.906
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: 6
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1550.356080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.356080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.356080 (E_RNA)
where:
Base-Base interactions energy: -1074.765
where: short stacking energy: -443.545
Base-Backbone interact. energy: -3.350
local terms energy: -472.240841
where:
bonds (distance) C4'-P energy: -85.538
bonds (distance) P-C4' energy: -97.451
flat angles C4'-P-C4' energy: -95.768
flat angles P-C4'-P energy: -74.624
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: 3
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1441.230064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.230064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.230064 (E_RNA)
where:
Base-Base interactions energy: -1007.378
where: short stacking energy: -412.985
Base-Backbone interact. energy: -2.596
local terms energy: -431.256232
where:
bonds (distance) C4'-P energy: -81.947
bonds (distance) P-C4' energy: -95.791
flat angles C4'-P-C4' energy: -97.696
flat angles P-C4'-P energy: -63.976
tors. eta vs tors. theta energy: -91.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1356.305125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.305125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.305125 (E_RNA)
where:
Base-Base interactions energy: -941.077
where: short stacking energy: -404.220
Base-Backbone interact. energy: 0.564
local terms energy: -415.791948
where:
bonds (distance) C4'-P energy: -88.863
bonds (distance) P-C4' energy: -70.769
flat angles C4'-P-C4' energy: -104.970
flat angles P-C4'-P energy: -56.693
tors. eta vs tors. theta energy: -94.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1294.503133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.503133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.503133 (E_RNA)
where:
Base-Base interactions energy: -891.161
where: short stacking energy: -366.366
Base-Backbone interact. energy: -1.764
local terms energy: -401.577872
where:
bonds (distance) C4'-P energy: -81.657
bonds (distance) P-C4' energy: -82.046
flat angles C4'-P-C4' energy: -94.937
flat angles P-C4'-P energy: -66.173
tors. eta vs tors. theta energy: -76.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -1000.086365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.086365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.086365 (E_RNA)
where:
Base-Base interactions energy: -618.768
where: short stacking energy: -260.937
Base-Backbone interact. energy: -2.499
local terms energy: -378.819257
where:
bonds (distance) C4'-P energy: -92.375
bonds (distance) P-C4' energy: -96.108
flat angles C4'-P-C4' energy: -92.777
flat angles P-C4'-P energy: -66.384
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: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -940.026649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.026649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.026649 (E_RNA)
where:
Base-Base interactions energy: -596.296
where: short stacking energy: -266.455
Base-Backbone interact. energy: -0.498
local terms energy: -343.232213
where:
bonds (distance) C4'-P energy: -80.911
bonds (distance) P-C4' energy: -85.643
flat angles C4'-P-C4' energy: -86.609
flat angles P-C4'-P energy: -40.292
tors. eta vs tors. theta energy: -49.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1886.984707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.984707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.984707 (E_RNA)
where:
Base-Base interactions energy: -1332.998
where: short stacking energy: -553.633
Base-Backbone interact. energy: 0.798
local terms energy: -554.784985
where:
bonds (distance) C4'-P energy: -95.710
bonds (distance) P-C4' energy: -112.719
flat angles C4'-P-C4' energy: -110.720
flat angles P-C4'-P energy: -79.000
tors. eta vs tors. theta energy: -156.636
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: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1875.679434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.679434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.679434 (E_RNA)
where:
Base-Base interactions energy: -1321.459
where: short stacking energy: -506.128
Base-Backbone interact. energy: -3.856
local terms energy: -550.364643
where:
bonds (distance) C4'-P energy: -96.511
bonds (distance) P-C4' energy: -110.715
flat angles C4'-P-C4' energy: -119.692
flat angles P-C4'-P energy: -81.795
tors. eta vs tors. theta energy: -141.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1725.028160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.028160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.028160 (E_RNA)
where:
Base-Base interactions energy: -1202.147
where: short stacking energy: -490.158
Base-Backbone interact. energy: -3.813
local terms energy: -519.067748
where:
bonds (distance) C4'-P energy: -98.527
bonds (distance) P-C4' energy: -98.012
flat angles C4'-P-C4' energy: -110.199
flat angles P-C4'-P energy: -72.013
tors. eta vs tors. theta energy: -140.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1719.525244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.525244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.525244 (E_RNA)
where:
Base-Base interactions energy: -1202.361
where: short stacking energy: -509.465
Base-Backbone interact. energy: -2.698
local terms energy: -514.466279
where:
bonds (distance) C4'-P energy: -85.040
bonds (distance) P-C4' energy: -105.097
flat angles C4'-P-C4' energy: -116.713
flat angles P-C4'-P energy: -69.779
tors. eta vs tors. theta energy: -137.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1533.672638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.672638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.672638 (E_RNA)
where:
Base-Base interactions energy: -1051.184
where: short stacking energy: -453.577
Base-Backbone interact. energy: 2.926
local terms energy: -485.414745
where:
bonds (distance) C4'-P energy: -94.397
bonds (distance) P-C4' energy: -103.610
flat angles C4'-P-C4' energy: -101.158
flat angles P-C4'-P energy: -76.679
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: 6, replica: 3
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1487.880425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.880425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.880425 (E_RNA)
where:
Base-Base interactions energy: -1029.086
where: short stacking energy: -431.490
Base-Backbone interact. energy: -2.071
local terms energy: -456.723749
where:
bonds (distance) C4'-P energy: -90.715
bonds (distance) P-C4' energy: -93.690
flat angles C4'-P-C4' energy: -107.592
flat angles P-C4'-P energy: -65.275
tors. eta vs tors. theta energy: -99.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1334.649604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.649604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.649604 (E_RNA)
where:
Base-Base interactions energy: -919.741
where: short stacking energy: -389.297
Base-Backbone interact. energy: -0.209
local terms energy: -414.700135
where:
bonds (distance) C4'-P energy: -86.268
bonds (distance) P-C4' energy: -99.668
flat angles C4'-P-C4' energy: -88.153
flat angles P-C4'-P energy: -59.374
tors. eta vs tors. theta energy: -81.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1283.451309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.451309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.451309 (E_RNA)
where:
Base-Base interactions energy: -893.675
where: short stacking energy: -353.570
Base-Backbone interact. energy: 11.306
local terms energy: -401.082219
where:
bonds (distance) C4'-P energy: -83.685
bonds (distance) P-C4' energy: -88.914
flat angles C4'-P-C4' energy: -92.931
flat angles P-C4'-P energy: -56.286
tors. eta vs tors. theta energy: -79.267
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: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -1069.343822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.343822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.343822 (E_RNA)
where:
Base-Base interactions energy: -699.521
where: short stacking energy: -318.977
Base-Backbone interact. energy: -0.586
local terms energy: -369.237067
where:
bonds (distance) C4'-P energy: -78.124
bonds (distance) P-C4' energy: -103.608
flat angles C4'-P-C4' energy: -82.397
flat angles P-C4'-P energy: -49.552
tors. eta vs tors. theta energy: -55.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -945.623872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.623872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.623872 (E_RNA)
where:
Base-Base interactions energy: -589.935
where: short stacking energy: -250.145
Base-Backbone interact. energy: 6.658
local terms energy: -362.346784
where:
bonds (distance) C4'-P energy: -91.824
bonds (distance) P-C4' energy: -99.647
flat angles C4'-P-C4' energy: -86.643
flat angles P-C4'-P energy: -52.511
tors. eta vs tors. theta energy: -31.721
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: 1, replica: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1868.621800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.621800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.621800 (E_RNA)
where:
Base-Base interactions energy: -1312.162
where: short stacking energy: -541.878
Base-Backbone interact. energy: -5.168
local terms energy: -551.291952
where:
bonds (distance) C4'-P energy: -102.390
bonds (distance) P-C4' energy: -108.817
flat angles C4'-P-C4' energy: -115.429
flat angles P-C4'-P energy: -75.974
tors. eta vs tors. theta energy: -148.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1891.017981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.017981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.017981 (E_RNA)
where:
Base-Base interactions energy: -1352.144
where: short stacking energy: -537.220
Base-Backbone interact. energy: -3.345
local terms energy: -535.528968
where:
bonds (distance) C4'-P energy: -92.937
bonds (distance) P-C4' energy: -104.296
flat angles C4'-P-C4' energy: -110.766
flat angles P-C4'-P energy: -77.585
tors. eta vs tors. theta energy: -149.945
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: 3, replica: 4
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1769.007155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.007155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.007155 (E_RNA)
where:
Base-Base interactions energy: -1252.768
where: short stacking energy: -513.845
Base-Backbone interact. energy: -2.287
local terms energy: -513.951544
where:
bonds (distance) C4'-P energy: -90.592
bonds (distance) P-C4' energy: -95.879
flat angles C4'-P-C4' energy: -116.004
flat angles P-C4'-P energy: -74.443
tors. eta vs tors. theta energy: -137.033
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: 4, replica: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1692.579624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.579624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.579624 (E_RNA)
where:
Base-Base interactions energy: -1164.856
where: short stacking energy: -480.656
Base-Backbone interact. energy: -1.040
local terms energy: -526.683785
where:
bonds (distance) C4'-P energy: -92.529
bonds (distance) P-C4' energy: -103.509
flat angles C4'-P-C4' energy: -111.180
flat angles P-C4'-P energy: -80.548
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: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1527.100807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.100807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.100807 (E_RNA)
where:
Base-Base interactions energy: -1052.538
where: short stacking energy: -442.811
Base-Backbone interact. energy: -3.254
local terms energy: -471.308974
where:
bonds (distance) C4'-P energy: -96.340
bonds (distance) P-C4' energy: -95.869
flat angles C4'-P-C4' energy: -99.098
flat angles P-C4'-P energy: -63.989
tors. eta vs tors. theta energy: -116.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1489.106130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.106130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.106130 (E_RNA)
where:
Base-Base interactions energy: -1026.807
where: short stacking energy: -426.656
Base-Backbone interact. energy: -1.670
local terms energy: -460.628414
where:
bonds (distance) C4'-P energy: -82.822
bonds (distance) P-C4' energy: -95.613
flat angles C4'-P-C4' energy: -104.947
flat angles P-C4'-P energy: -70.022
tors. eta vs tors. theta energy: -107.225
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: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1375.425090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.425090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.425090 (E_RNA)
where:
Base-Base interactions energy: -941.740
where: short stacking energy: -409.438
Base-Backbone interact. energy: 0.469
local terms energy: -434.154677
where:
bonds (distance) C4'-P energy: -83.545
bonds (distance) P-C4' energy: -96.859
flat angles C4'-P-C4' energy: -95.359
flat angles P-C4'-P energy: -67.497
tors. eta vs tors. theta energy: -90.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1277.745237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.745237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.745237 (E_RNA)
where:
Base-Base interactions energy: -845.492
where: short stacking energy: -355.829
Base-Backbone interact. energy: -1.768
local terms energy: -430.485793
where:
bonds (distance) C4'-P energy: -90.641
bonds (distance) P-C4' energy: -80.227
flat angles C4'-P-C4' energy: -103.384
flat angles P-C4'-P energy: -68.747
tors. eta vs tors. theta energy: -87.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -1090.885772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.885772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.885772 (E_RNA)
where:
Base-Base interactions energy: -704.949
where: short stacking energy: -313.595
Base-Backbone interact. energy: -1.859
local terms energy: -384.077180
where:
bonds (distance) C4'-P energy: -76.417
bonds (distance) P-C4' energy: -94.511
flat angles C4'-P-C4' energy: -84.080
flat angles P-C4'-P energy: -73.396
tors. eta vs tors. theta energy: -55.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -961.569748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.569748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.569748 (E_RNA)
where:
Base-Base interactions energy: -613.069
where: short stacking energy: -286.473
Base-Backbone interact. energy: -2.375
local terms energy: -346.126293
where:
bonds (distance) C4'-P energy: -77.983
bonds (distance) P-C4' energy: -75.891
flat angles C4'-P-C4' energy: -71.282
flat angles P-C4'-P energy: -61.033
tors. eta vs tors. theta energy: -59.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1894.112421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.112421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.112421 (E_RNA)
where:
Base-Base interactions energy: -1332.631
where: short stacking energy: -547.997
Base-Backbone interact. energy: -5.421
local terms energy: -556.060822
where:
bonds (distance) C4'-P energy: -111.200
bonds (distance) P-C4' energy: -98.144
flat angles C4'-P-C4' energy: -117.997
flat angles P-C4'-P energy: -77.870
tors. eta vs tors. theta energy: -150.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1857.832752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.832752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.832752 (E_RNA)
where:
Base-Base interactions energy: -1319.932
where: short stacking energy: -545.044
Base-Backbone interact. energy: -1.443
local terms energy: -536.457507
where:
bonds (distance) C4'-P energy: -91.733
bonds (distance) P-C4' energy: -103.071
flat angles C4'-P-C4' energy: -121.834
flat angles P-C4'-P energy: -66.461
tors. eta vs tors. theta energy: -153.359
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: 3, replica: 4
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1798.934509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.934509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.934509 (E_RNA)
where:
Base-Base interactions energy: -1269.626
where: short stacking energy: -522.128
Base-Backbone interact. energy: -3.099
local terms energy: -526.209633
where:
bonds (distance) C4'-P energy: -108.700
bonds (distance) P-C4' energy: -92.835
flat angles C4'-P-C4' energy: -108.496
flat angles P-C4'-P energy: -75.601
tors. eta vs tors. theta energy: -140.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1687.120321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.120321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.120321 (E_RNA)
where:
Base-Base interactions energy: -1153.193
where: short stacking energy: -470.968
Base-Backbone interact. energy: -0.354
local terms energy: -533.573301
where:
bonds (distance) C4'-P energy: -97.567
bonds (distance) P-C4' energy: -103.337
flat angles C4'-P-C4' energy: -114.969
flat angles P-C4'-P energy: -69.722
tors. eta vs tors. theta energy: -147.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1568.030846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.030846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.030846 (E_RNA)
where:
Base-Base interactions energy: -1085.662
where: short stacking energy: -429.837
Base-Backbone interact. energy: -1.963
local terms energy: -480.405999
where:
bonds (distance) C4'-P energy: -97.724
bonds (distance) P-C4' energy: -100.727
flat angles C4'-P-C4' energy: -100.907
flat angles P-C4'-P energy: -72.438
tors. eta vs tors. theta energy: -108.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1492.498495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.498495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.498495 (E_RNA)
where:
Base-Base interactions energy: -1051.396
where: short stacking energy: -427.659
Base-Backbone interact. energy: -1.521
local terms energy: -439.581022
where:
bonds (distance) C4'-P energy: -87.573
bonds (distance) P-C4' energy: -74.614
flat angles C4'-P-C4' energy: -102.395
flat angles P-C4'-P energy: -60.951
tors. eta vs tors. theta energy: -114.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -1334.067464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.067464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.067464 (E_RNA)
where:
Base-Base interactions energy: -897.181
where: short stacking energy: -382.018
Base-Backbone interact. energy: 0.158
local terms energy: -437.045098
where:
bonds (distance) C4'-P energy: -89.988
bonds (distance) P-C4' energy: -109.624
flat angles C4'-P-C4' energy: -83.133
flat angles P-C4'-P energy: -73.191
tors. eta vs tors. theta energy: -81.109
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: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1276.402934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.402934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.402934 (E_RNA)
where:
Base-Base interactions energy: -864.266
where: short stacking energy: -368.722
Base-Backbone interact. energy: -0.758
local terms energy: -411.379078
where:
bonds (distance) C4'-P energy: -87.762
bonds (distance) P-C4' energy: -85.618
flat angles C4'-P-C4' energy: -95.847
flat angles P-C4'-P energy: -56.725
tors. eta vs tors. theta energy: -85.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -1115.241529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.241529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.241529 (E_RNA)
where:
Base-Base interactions energy: -747.393
where: short stacking energy: -336.896
Base-Backbone interact. energy: -1.082
local terms energy: -366.766322
where:
bonds (distance) C4'-P energy: -77.677
bonds (distance) P-C4' energy: -87.329
flat angles C4'-P-C4' energy: -89.374
flat angles P-C4'-P energy: -49.452
tors. eta vs tors. theta energy: -62.934
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: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -997.041489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.041489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.041489 (E_RNA)
where:
Base-Base interactions energy: -658.709
where: short stacking energy: -269.119
Base-Backbone interact. energy: -0.830
local terms energy: -337.502472
where:
bonds (distance) C4'-P energy: -89.416
bonds (distance) P-C4' energy: -91.924
flat angles C4'-P-C4' energy: -76.794
flat angles P-C4'-P energy: -47.641
tors. eta vs tors. theta energy: -31.728
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: 2
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1876.514857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.514857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.514857 (E_RNA)
where:
Base-Base interactions energy: -1307.412
where: short stacking energy: -544.824
Base-Backbone interact. energy: -2.491
local terms energy: -566.611988
where:
bonds (distance) C4'-P energy: -105.914
bonds (distance) P-C4' energy: -110.802
flat angles C4'-P-C4' energy: -123.160
flat angles P-C4'-P energy: -77.017
tors. eta vs tors. theta energy: -149.719
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: 36
Temperature: 0.950000
Total energy: -1851.803378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.803378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.803378 (E_RNA)
where:
Base-Base interactions energy: -1329.619
where: short stacking energy: -541.288
Base-Backbone interact. energy: -2.210
local terms energy: -519.975085
where:
bonds (distance) C4'-P energy: -89.178
bonds (distance) P-C4' energy: -102.674
flat angles C4'-P-C4' energy: -107.498
flat angles P-C4'-P energy: -70.959
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: 3, replica: 4
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1762.948892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.948892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.948892 (E_RNA)
where:
Base-Base interactions energy: -1228.582
where: short stacking energy: -497.427
Base-Backbone interact. energy: -1.984
local terms energy: -532.383186
where:
bonds (distance) C4'-P energy: -99.521
bonds (distance) P-C4' energy: -105.976
flat angles C4'-P-C4' energy: -115.005
flat angles P-C4'-P energy: -80.193
tors. eta vs tors. theta energy: -131.688
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: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1672.392177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.392177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.392177 (E_RNA)
where:
Base-Base interactions energy: -1162.650
where: short stacking energy: -466.340
Base-Backbone interact. energy: -1.700
local terms energy: -508.042439
where:
bonds (distance) C4'-P energy: -98.300
bonds (distance) P-C4' energy: -104.436
flat angles C4'-P-C4' energy: -103.439
flat angles P-C4'-P energy: -72.013
tors. eta vs tors. theta energy: -129.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1570.356153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.356153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.356153 (E_RNA)
where:
Base-Base interactions energy: -1087.403
where: short stacking energy: -436.697
Base-Backbone interact. energy: -1.484
local terms energy: -481.469367
where:
bonds (distance) C4'-P energy: -92.245
bonds (distance) P-C4' energy: -112.724
flat angles C4'-P-C4' energy: -104.937
flat angles P-C4'-P energy: -61.264
tors. eta vs tors. theta energy: -110.300
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: 6, replica: 6
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1490.744628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.744628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.744628 (E_RNA)
where:
Base-Base interactions energy: -1032.633
where: short stacking energy: -427.985
Base-Backbone interact. energy: -1.728
local terms energy: -456.383750
where:
bonds (distance) C4'-P energy: -80.855
bonds (distance) P-C4' energy: -83.228
flat angles C4'-P-C4' energy: -106.911
flat angles P-C4'-P energy: -72.586
tors. eta vs tors. theta energy: -112.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1348.557149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.557149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.557149 (E_RNA)
where:
Base-Base interactions energy: -921.074
where: short stacking energy: -370.139
Base-Backbone interact. energy: -1.820
local terms energy: -425.663259
where:
bonds (distance) C4'-P energy: -92.968
bonds (distance) P-C4' energy: -96.165
flat angles C4'-P-C4' energy: -88.218
flat angles P-C4'-P energy: -68.498
tors. eta vs tors. theta energy: -79.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1248.693961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.693961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.693961 (E_RNA)
where:
Base-Base interactions energy: -859.140
where: short stacking energy: -361.358
Base-Backbone interact. energy: 0.657
local terms energy: -390.211231
where:
bonds (distance) C4'-P energy: -89.056
bonds (distance) P-C4' energy: -87.205
flat angles C4'-P-C4' energy: -84.187
flat angles P-C4'-P energy: -60.541
tors. eta vs tors. theta energy: -69.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -1114.444238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.444238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.444238 (E_RNA)
where:
Base-Base interactions energy: -730.006
where: short stacking energy: -297.311
Base-Backbone interact. energy: 0.910
local terms energy: -385.348645
where:
bonds (distance) C4'-P energy: -81.558
bonds (distance) P-C4' energy: -82.848
flat angles C4'-P-C4' energy: -104.619
flat angles P-C4'-P energy: -57.573
tors. eta vs tors. theta energy: -58.750
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: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -966.680308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.680308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.680308 (E_RNA)
where:
Base-Base interactions energy: -615.656
where: short stacking energy: -264.953
Base-Backbone interact. energy: 1.971
local terms energy: -352.995402
where:
bonds (distance) C4'-P energy: -78.127
bonds (distance) P-C4' energy: -100.435
flat angles C4'-P-C4' energy: -72.754
flat angles P-C4'-P energy: -64.044
tors. eta vs tors. theta energy: -37.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1875.210479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.210479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.210479 (E_RNA)
where:
Base-Base interactions energy: -1319.085
where: short stacking energy: -510.699
Base-Backbone interact. energy: -2.939
local terms energy: -553.186476
where:
bonds (distance) C4'-P energy: -106.786
bonds (distance) P-C4' energy: -105.003
flat angles C4'-P-C4' energy: -120.710
flat angles P-C4'-P energy: -82.448
tors. eta vs tors. theta energy: -138.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1868.859451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.859451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.859451 (E_RNA)
where:
Base-Base interactions energy: -1334.225
where: short stacking energy: -530.957
Base-Backbone interact. energy: 0.553
local terms energy: -535.186544
where:
bonds (distance) C4'-P energy: -96.614
bonds (distance) P-C4' energy: -103.088
flat angles C4'-P-C4' energy: -116.524
flat angles P-C4'-P energy: -70.749
tors. eta vs tors. theta energy: -148.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1766.687538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.687538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.687538 (E_RNA)
where:
Base-Base interactions energy: -1246.099
where: short stacking energy: -514.239
Base-Backbone interact. energy: -1.672
local terms energy: -518.916954
where:
bonds (distance) C4'-P energy: -103.446
bonds (distance) P-C4' energy: -92.087
flat angles C4'-P-C4' energy: -105.119
flat angles P-C4'-P energy: -73.009
tors. eta vs tors. theta energy: -145.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1685.728318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.728318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.728318 (E_RNA)
where:
Base-Base interactions energy: -1175.888
where: short stacking energy: -506.269
Base-Backbone interact. energy: -0.903
local terms energy: -508.937623
where:
bonds (distance) C4'-P energy: -90.697
bonds (distance) P-C4' energy: -94.572
flat angles C4'-P-C4' energy: -116.272
flat angles P-C4'-P energy: -61.024
tors. eta vs tors. theta energy: -146.372
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: 5, replica: 3
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1565.156379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.156379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.156379 (E_RNA)
where:
Base-Base interactions energy: -1068.209
where: short stacking energy: -452.168
Base-Backbone interact. energy: -2.092
local terms energy: -494.854807
where:
bonds (distance) C4'-P energy: -102.808
bonds (distance) P-C4' energy: -94.377
flat angles C4'-P-C4' energy: -113.938
flat angles P-C4'-P energy: -66.979
tors. eta vs tors. theta energy: -116.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1471.601876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.601876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.601876 (E_RNA)
where:
Base-Base interactions energy: -1014.718
where: short stacking energy: -420.339
Base-Backbone interact. energy: -3.643
local terms energy: -453.240748
where:
bonds (distance) C4'-P energy: -77.436
bonds (distance) P-C4' energy: -91.181
flat angles C4'-P-C4' energy: -104.218
flat angles P-C4'-P energy: -74.649
tors. eta vs tors. theta energy: -105.756
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: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1352.587662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.587662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.587662 (E_RNA)
where:
Base-Base interactions energy: -931.574
where: short stacking energy: -382.416
Base-Backbone interact. energy: -3.690
local terms energy: -417.324326
where:
bonds (distance) C4'-P energy: -84.553
bonds (distance) P-C4' energy: -81.181
flat angles C4'-P-C4' energy: -105.426
flat angles P-C4'-P energy: -55.824
tors. eta vs tors. theta energy: -90.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1256.692800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.692800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.692800 (E_RNA)
where:
Base-Base interactions energy: -851.166
where: short stacking energy: -360.513
Base-Backbone interact. energy: -0.235
local terms energy: -405.291384
where:
bonds (distance) C4'-P energy: -77.554
bonds (distance) P-C4' energy: -95.700
flat angles C4'-P-C4' energy: -103.046
flat angles P-C4'-P energy: -44.337
tors. eta vs tors. theta energy: -84.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -1170.124986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.124986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.124986 (E_RNA)
where:
Base-Base interactions energy: -785.427
where: short stacking energy: -330.502
Base-Backbone interact. energy: -3.000
local terms energy: -381.698320
where:
bonds (distance) C4'-P energy: -79.045
bonds (distance) P-C4' energy: -94.725
flat angles C4'-P-C4' energy: -92.113
flat angles P-C4'-P energy: -54.778
tors. eta vs tors. theta energy: -61.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -988.043848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.043848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.043848 (E_RNA)
where:
Base-Base interactions energy: -633.543
where: short stacking energy: -272.105
Base-Backbone interact. energy: -1.839
local terms energy: -352.662452
where:
bonds (distance) C4'-P energy: -84.794
bonds (distance) P-C4' energy: -83.112
flat angles C4'-P-C4' energy: -88.439
flat angles P-C4'-P energy: -57.620
tors. eta vs tors. theta energy: -38.697
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: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1902.388962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.388962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.388962 (E_RNA)
where:
Base-Base interactions energy: -1348.830
where: short stacking energy: -524.622
Base-Backbone interact. energy: -0.279
local terms energy: -553.279307
where:
bonds (distance) C4'-P energy: -102.357
bonds (distance) P-C4' energy: -102.052
flat angles C4'-P-C4' energy: -121.644
flat angles P-C4'-P energy: -75.348
tors. eta vs tors. theta energy: -151.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1805.341775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.341775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.341775 (E_RNA)
where:
Base-Base interactions energy: -1265.006
where: short stacking energy: -520.508
Base-Backbone interact. energy: 1.213
local terms energy: -541.548320
where:
bonds (distance) C4'-P energy: -106.391
bonds (distance) P-C4' energy: -93.008
flat angles C4'-P-C4' energy: -122.741
flat angles P-C4'-P energy: -83.313
tors. eta vs tors. theta energy: -136.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1771.496460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.496460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.496460 (E_RNA)
where:
Base-Base interactions energy: -1238.174
where: short stacking energy: -516.434
Base-Backbone interact. energy: -0.975
local terms energy: -532.347941
where:
bonds (distance) C4'-P energy: -81.324
bonds (distance) P-C4' energy: -110.593
flat angles C4'-P-C4' energy: -116.698
flat angles P-C4'-P energy: -75.882
tors. eta vs tors. theta energy: -147.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1678.365231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.365231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.365231 (E_RNA)
where:
Base-Base interactions energy: -1167.221
where: short stacking energy: -501.042
Base-Backbone interact. energy: 0.626
local terms energy: -511.770174
where:
bonds (distance) C4'-P energy: -92.209
bonds (distance) P-C4' energy: -105.115
flat angles C4'-P-C4' energy: -117.040
flat angles P-C4'-P energy: -61.678
tors. eta vs tors. theta energy: -135.728
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: 38
Temperature: 1.100000
Total energy: -1558.050897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.050897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.050897 (E_RNA)
where:
Base-Base interactions energy: -1090.203
where: short stacking energy: -447.658
Base-Backbone interact. energy: -1.069
local terms energy: -466.779308
where:
bonds (distance) C4'-P energy: -84.356
bonds (distance) P-C4' energy: -92.670
flat angles C4'-P-C4' energy: -102.620
flat angles P-C4'-P energy: -70.130
tors. eta vs tors. theta energy: -117.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1401.882120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.882120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.882120 (E_RNA)
where:
Base-Base interactions energy: -970.749
where: short stacking energy: -413.429
Base-Backbone interact. energy: 6.388
local terms energy: -437.520292
where:
bonds (distance) C4'-P energy: -97.013
bonds (distance) P-C4' energy: -103.200
flat angles C4'-P-C4' energy: -96.293
flat angles P-C4'-P energy: -54.006
tors. eta vs tors. theta energy: -87.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1381.773016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.773016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.773016 (E_RNA)
where:
Base-Base interactions energy: -924.700
where: short stacking energy: -396.427
Base-Backbone interact. energy: -1.936
local terms energy: -455.137243
where:
bonds (distance) C4'-P energy: -82.896
bonds (distance) P-C4' energy: -99.556
flat angles C4'-P-C4' energy: -105.640
flat angles P-C4'-P energy: -62.258
tors. eta vs tors. theta energy: -104.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -1337.583107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.583107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.583107 (E_RNA)
where:
Base-Base interactions energy: -916.815
where: short stacking energy: -383.029
Base-Backbone interact. energy: -0.759
local terms energy: -420.008765
where:
bonds (distance) C4'-P energy: -97.533
bonds (distance) P-C4' energy: -72.552
flat angles C4'-P-C4' energy: -96.352
flat angles P-C4'-P energy: -55.506
tors. eta vs tors. theta energy: -98.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -1136.921551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.921551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.921551 (E_RNA)
where:
Base-Base interactions energy: -763.953
where: short stacking energy: -339.166
Base-Backbone interact. energy: -0.702
local terms energy: -372.266559
where:
bonds (distance) C4'-P energy: -86.591
bonds (distance) P-C4' energy: -87.305
flat angles C4'-P-C4' energy: -81.640
flat angles P-C4'-P energy: -53.851
tors. eta vs tors. theta energy: -62.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -1013.912297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.912297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.912297 (E_RNA)
where:
Base-Base interactions energy: -690.618
where: short stacking energy: -299.202
Base-Backbone interact. energy: -3.675
local terms energy: -319.619216
where:
bonds (distance) C4'-P energy: -78.163
bonds (distance) P-C4' energy: -94.965
flat angles C4'-P-C4' energy: -65.778
flat angles P-C4'-P energy: -34.622
tors. eta vs tors. theta energy: -46.091
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: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1886.240286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.240286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.240286 (E_RNA)
where:
Base-Base interactions energy: -1316.354
where: short stacking energy: -514.017
Base-Backbone interact. energy: -1.044
local terms energy: -568.842901
where:
bonds (distance) C4'-P energy: -111.341
bonds (distance) P-C4' energy: -106.432
flat angles C4'-P-C4' energy: -116.842
flat angles P-C4'-P energy: -84.987
tors. eta vs tors. theta energy: -149.241
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: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1780.767921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.767921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.767921 (E_RNA)
where:
Base-Base interactions energy: -1257.694
where: short stacking energy: -507.078
Base-Backbone interact. energy: 4.068
local terms energy: -527.141949
where:
bonds (distance) C4'-P energy: -105.425
bonds (distance) P-C4' energy: -92.078
flat angles C4'-P-C4' energy: -114.573
flat angles P-C4'-P energy: -76.039
tors. eta vs tors. theta energy: -139.027
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: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1755.619598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.619598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.619598 (E_RNA)
where:
Base-Base interactions energy: -1259.643
where: short stacking energy: -505.803
Base-Backbone interact. energy: 1.283
local terms energy: -497.259895
where:
bonds (distance) C4'-P energy: -93.494
bonds (distance) P-C4' energy: -85.724
flat angles C4'-P-C4' energy: -109.529
flat angles P-C4'-P energy: -70.247
tors. eta vs tors. theta energy: -138.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1690.327139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.327139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.327139 (E_RNA)
where:
Base-Base interactions energy: -1198.902
where: short stacking energy: -506.294
Base-Backbone interact. energy: -0.945
local terms energy: -490.480733
where:
bonds (distance) C4'-P energy: -90.091
bonds (distance) P-C4' energy: -94.008
flat angles C4'-P-C4' energy: -108.860
flat angles P-C4'-P energy: -69.486
tors. eta vs tors. theta energy: -128.036
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: 5, replica: 3
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1554.193719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.193719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.193719 (E_RNA)
where:
Base-Base interactions energy: -1068.220
where: short stacking energy: -435.335
Base-Backbone interact. energy: -0.571
local terms energy: -485.402898
where:
bonds (distance) C4'-P energy: -97.242
bonds (distance) P-C4' energy: -111.886
flat angles C4'-P-C4' energy: -104.398
flat angles P-C4'-P energy: -61.960
tors. eta vs tors. theta energy: -109.917
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: 6, replica: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1417.829063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.829063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.829063 (E_RNA)
where:
Base-Base interactions energy: -980.293
where: short stacking energy: -401.379
Base-Backbone interact. energy: -0.341
local terms energy: -437.194704
where:
bonds (distance) C4'-P energy: -77.397
bonds (distance) P-C4' energy: -106.567
flat angles C4'-P-C4' energy: -99.061
flat angles P-C4'-P energy: -56.047
tors. eta vs tors. theta energy: -98.122
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: 39
Temperature: 1.200000
Total energy: -1431.081357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.081357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.081357 (E_RNA)
where:
Base-Base interactions energy: -974.575
where: short stacking energy: -418.600
Base-Backbone interact. energy: 0.728
local terms energy: -457.233916
where:
bonds (distance) C4'-P energy: -94.255
bonds (distance) P-C4' energy: -95.129
flat angles C4'-P-C4' energy: -95.196
flat angles P-C4'-P energy: -78.722
tors. eta vs tors. theta energy: -93.931
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: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -1275.612337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.612337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.612337 (E_RNA)
where:
Base-Base interactions energy: -848.085
where: short stacking energy: -359.513
Base-Backbone interact. energy: -0.144
local terms energy: -427.382492
where:
bonds (distance) C4'-P energy: -97.269
bonds (distance) P-C4' energy: -90.452
flat angles C4'-P-C4' energy: -98.569
flat angles P-C4'-P energy: -58.418
tors. eta vs tors. theta energy: -82.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -1116.392064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.392064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.392064 (E_RNA)
where:
Base-Base interactions energy: -754.994
where: short stacking energy: -320.547
Base-Backbone interact. energy: 2.689
local terms energy: -364.086324
where:
bonds (distance) C4'-P energy: -79.171
bonds (distance) P-C4' energy: -89.407
flat angles C4'-P-C4' energy: -88.538
flat angles P-C4'-P energy: -48.541
tors. eta vs tors. theta energy: -58.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -949.185344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.185344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.185344 (E_RNA)
where:
Base-Base interactions energy: -619.247
where: short stacking energy: -266.214
Base-Backbone interact. energy: 4.693
local terms energy: -334.631247
where:
bonds (distance) C4'-P energy: -104.075
bonds (distance) P-C4' energy: -81.487
flat angles C4'-P-C4' energy: -69.465
flat angles P-C4'-P energy: -59.003
tors. eta vs tors. theta energy: -20.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1888.612001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.612001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.612001 (E_RNA)
where:
Base-Base interactions energy: -1332.897
where: short stacking energy: -541.440
Base-Backbone interact. energy: 1.367
local terms energy: -557.081134
where:
bonds (distance) C4'-P energy: -94.391
bonds (distance) P-C4' energy: -108.546
flat angles C4'-P-C4' energy: -119.216
flat angles P-C4'-P energy: -83.730
tors. eta vs tors. theta energy: -151.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1802.958072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.958072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.958072 (E_RNA)
where:
Base-Base interactions energy: -1259.063
where: short stacking energy: -521.960
Base-Backbone interact. energy: -0.798
local terms energy: -543.097452
where:
bonds (distance) C4'-P energy: -97.330
bonds (distance) P-C4' energy: -100.361
flat angles C4'-P-C4' energy: -118.389
flat angles P-C4'-P energy: -84.805
tors. eta vs tors. theta energy: -142.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1783.309672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.309672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.309672 (E_RNA)
where:
Base-Base interactions energy: -1249.048
where: short stacking energy: -510.932
Base-Backbone interact. energy: -2.455
local terms energy: -531.806616
where:
bonds (distance) C4'-P energy: -111.406
bonds (distance) P-C4' energy: -101.611
flat angles C4'-P-C4' energy: -104.932
flat angles P-C4'-P energy: -75.960
tors. eta vs tors. theta energy: -137.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1694.543217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.543217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.543217 (E_RNA)
where:
Base-Base interactions energy: -1164.817
where: short stacking energy: -492.343
Base-Backbone interact. energy: -3.542
local terms energy: -526.183261
where:
bonds (distance) C4'-P energy: -100.188
bonds (distance) P-C4' energy: -91.560
flat angles C4'-P-C4' energy: -117.194
flat angles P-C4'-P energy: -79.781
tors. eta vs tors. theta energy: -137.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1566.183902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.183902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.183902 (E_RNA)
where:
Base-Base interactions energy: -1085.524
where: short stacking energy: -471.958
Base-Backbone interact. energy: 3.808
local terms energy: -484.468115
where:
bonds (distance) C4'-P energy: -84.056
bonds (distance) P-C4' energy: -99.127
flat angles C4'-P-C4' energy: -112.445
flat angles P-C4'-P energy: -60.398
tors. eta vs tors. theta energy: -128.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1410.399402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.399402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.399402 (E_RNA)
where:
Base-Base interactions energy: -969.928
where: short stacking energy: -392.719
Base-Backbone interact. energy: -0.112
local terms energy: -440.359836
where:
bonds (distance) C4'-P energy: -88.095
bonds (distance) P-C4' energy: -98.903
flat angles C4'-P-C4' energy: -115.795
flat angles P-C4'-P energy: -52.331
tors. eta vs tors. theta energy: -85.236
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: 40
Temperature: 1.200000
Total energy: -1358.061614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.061614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.061614 (E_RNA)
where:
Base-Base interactions energy: -933.507
where: short stacking energy: -389.248
Base-Backbone interact. energy: 0.341
local terms energy: -424.896303
where:
bonds (distance) C4'-P energy: -95.165
bonds (distance) P-C4' energy: -92.881
flat angles C4'-P-C4' energy: -93.339
flat angles P-C4'-P energy: -54.916
tors. eta vs tors. theta energy: -88.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1302.441362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.441362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.441362 (E_RNA)
where:
Base-Base interactions energy: -884.710
where: short stacking energy: -362.722
Base-Backbone interact. energy: -1.778
local terms energy: -415.953620
where:
bonds (distance) C4'-P energy: -85.038
bonds (distance) P-C4' energy: -80.092
flat angles C4'-P-C4' energy: -96.486
flat angles P-C4'-P energy: -56.142
tors. eta vs tors. theta energy: -98.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -1069.045672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.045672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.045672 (E_RNA)
where:
Base-Base interactions energy: -659.552
where: short stacking energy: -289.753
Base-Backbone interact. energy: -1.157
local terms energy: -408.337220
where:
bonds (distance) C4'-P energy: -96.193
bonds (distance) P-C4' energy: -93.479
flat angles C4'-P-C4' energy: -90.111
flat angles P-C4'-P energy: -68.345
tors. eta vs tors. theta energy: -60.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -982.149847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.149847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.149847 (E_RNA)
where:
Base-Base interactions energy: -613.132
where: short stacking energy: -260.412
Base-Backbone interact. energy: -0.840
local terms energy: -368.177197
where:
bonds (distance) C4'-P energy: -79.780
bonds (distance) P-C4' energy: -90.133
flat angles C4'-P-C4' energy: -84.477
flat angles P-C4'-P energy: -56.431
tors. eta vs tors. theta energy: -57.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1888.931249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.931249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.931249 (E_RNA)
where:
Base-Base interactions energy: -1349.963
where: short stacking energy: -537.903
Base-Backbone interact. energy: -1.812
local terms energy: -537.155520
where:
bonds (distance) C4'-P energy: -87.001
bonds (distance) P-C4' energy: -102.636
flat angles C4'-P-C4' energy: -122.003
flat angles P-C4'-P energy: -88.485
tors. eta vs tors. theta energy: -137.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1805.946668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.946668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.946668 (E_RNA)
where:
Base-Base interactions energy: -1271.348
where: short stacking energy: -533.178
Base-Backbone interact. energy: -1.918
local terms energy: -532.680552
where:
bonds (distance) C4'-P energy: -92.475
bonds (distance) P-C4' energy: -101.982
flat angles C4'-P-C4' energy: -114.461
flat angles P-C4'-P energy: -79.752
tors. eta vs tors. theta energy: -144.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1785.538206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.538206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.538206 (E_RNA)
where:
Base-Base interactions energy: -1265.733
where: short stacking energy: -509.407
Base-Backbone interact. energy: 1.413
local terms energy: -521.218464
where:
bonds (distance) C4'-P energy: -96.592
bonds (distance) P-C4' energy: -108.975
flat angles C4'-P-C4' energy: -112.466
flat angles P-C4'-P energy: -70.992
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: 4, replica: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1709.816836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.816836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.816836 (E_RNA)
where:
Base-Base interactions energy: -1197.452
where: short stacking energy: -483.434
Base-Backbone interact. energy: 1.418
local terms energy: -513.782723
where:
bonds (distance) C4'-P energy: -88.127
bonds (distance) P-C4' energy: -100.898
flat angles C4'-P-C4' energy: -112.544
flat angles P-C4'-P energy: -74.737
tors. eta vs tors. theta energy: -137.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1608.897783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.897783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.897783 (E_RNA)
where:
Base-Base interactions energy: -1135.209
where: short stacking energy: -489.588
Base-Backbone interact. energy: 4.580
local terms energy: -478.268388
where:
bonds (distance) C4'-P energy: -86.272
bonds (distance) P-C4' energy: -85.998
flat angles C4'-P-C4' energy: -103.913
flat angles P-C4'-P energy: -63.061
tors. eta vs tors. theta energy: -139.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1407.711452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.711452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.711452 (E_RNA)
where:
Base-Base interactions energy: -958.496
where: short stacking energy: -383.665
Base-Backbone interact. energy: 0.797
local terms energy: -450.012124
where:
bonds (distance) C4'-P energy: -105.201
bonds (distance) P-C4' energy: -96.647
flat angles C4'-P-C4' energy: -98.302
flat angles P-C4'-P energy: -57.657
tors. eta vs tors. theta energy: -92.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1380.101350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.101350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.101350 (E_RNA)
where:
Base-Base interactions energy: -952.564
where: short stacking energy: -402.018
Base-Backbone interact. energy: -0.944
local terms energy: -426.593265
where:
bonds (distance) C4'-P energy: -73.187
bonds (distance) P-C4' energy: -98.125
flat angles C4'-P-C4' energy: -106.284
flat angles P-C4'-P energy: -54.946
tors. eta vs tors. theta energy: -94.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1282.928711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.928711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.928711 (E_RNA)
where:
Base-Base interactions energy: -884.261
where: short stacking energy: -377.859
Base-Backbone interact. energy: -0.244
local terms energy: -398.424300
where:
bonds (distance) C4'-P energy: -76.298
bonds (distance) P-C4' energy: -88.679
flat angles C4'-P-C4' energy: -86.517
flat angles P-C4'-P energy: -53.855
tors. eta vs tors. theta energy: -93.075
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: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -1070.113194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.113194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.113194 (E_RNA)
where:
Base-Base interactions energy: -697.850
where: short stacking energy: -299.578
Base-Backbone interact. energy: -1.937
local terms energy: -370.326541
where:
bonds (distance) C4'-P energy: -78.061
bonds (distance) P-C4' energy: -101.393
flat angles C4'-P-C4' energy: -78.556
flat angles P-C4'-P energy: -50.159
tors. eta vs tors. theta energy: -62.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -1002.665811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.665811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.665811 (E_RNA)
where:
Base-Base interactions energy: -666.100
where: short stacking energy: -318.385
Base-Backbone interact. energy: -0.826
local terms energy: -335.740152
where:
bonds (distance) C4'-P energy: -70.456
bonds (distance) P-C4' energy: -92.532
flat angles C4'-P-C4' energy: -61.419
flat angles P-C4'-P energy: -55.149
tors. eta vs tors. theta energy: -56.184
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: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1904.557180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.557180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.557180 (E_RNA)
where:
Base-Base interactions energy: -1342.664
where: short stacking energy: -550.306
Base-Backbone interact. energy: -3.120
local terms energy: -558.773022
where:
bonds (distance) C4'-P energy: -95.595
bonds (distance) P-C4' energy: -111.329
flat angles C4'-P-C4' energy: -129.467
flat angles P-C4'-P energy: -78.699
tors. eta vs tors. theta energy: -143.683
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: 42
Temperature: 0.950000
Total energy: -1820.189864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.189864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.189864 (E_RNA)
where:
Base-Base interactions energy: -1251.166
where: short stacking energy: -502.904
Base-Backbone interact. energy: -4.554
local terms energy: -564.469293
where:
bonds (distance) C4'-P energy: -109.577
bonds (distance) P-C4' energy: -114.803
flat angles C4'-P-C4' energy: -107.884
flat angles P-C4'-P energy: -89.873
tors. eta vs tors. theta energy: -142.333
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: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1735.687372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.687372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.687372 (E_RNA)
where:
Base-Base interactions energy: -1231.936
where: short stacking energy: -497.299
Base-Backbone interact. energy: 4.627
local terms energy: -508.378218
where:
bonds (distance) C4'-P energy: -86.936
bonds (distance) P-C4' energy: -114.537
flat angles C4'-P-C4' energy: -104.772
flat angles P-C4'-P energy: -66.029
tors. eta vs tors. theta energy: -136.105
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: 4, replica: 5
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1709.186155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.186155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.186155 (E_RNA)
where:
Base-Base interactions energy: -1194.177
where: short stacking energy: -498.658
Base-Backbone interact. energy: 0.320
local terms energy: -515.329378
where:
bonds (distance) C4'-P energy: -91.373
bonds (distance) P-C4' energy: -94.237
flat angles C4'-P-C4' energy: -104.392
flat angles P-C4'-P energy: -75.583
tors. eta vs tors. theta energy: -149.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1589.050070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.050070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.050070 (E_RNA)
where:
Base-Base interactions energy: -1102.011
where: short stacking energy: -484.916
Base-Backbone interact. energy: -1.835
local terms energy: -485.204176
where:
bonds (distance) C4'-P energy: -92.108
bonds (distance) P-C4' energy: -97.967
flat angles C4'-P-C4' energy: -97.600
flat angles P-C4'-P energy: -76.655
tors. eta vs tors. theta energy: -120.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1420.849753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.849753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.849753 (E_RNA)
where:
Base-Base interactions energy: -991.456
where: short stacking energy: -386.258
Base-Backbone interact. energy: -2.986
local terms energy: -426.407924
where:
bonds (distance) C4'-P energy: -83.347
bonds (distance) P-C4' energy: -80.783
flat angles C4'-P-C4' energy: -113.257
flat angles P-C4'-P energy: -59.525
tors. eta vs tors. theta energy: -89.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1339.808713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.808713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.808713 (E_RNA)
where:
Base-Base interactions energy: -914.244
where: short stacking energy: -384.765
Base-Backbone interact. energy: 5.158
local terms energy: -430.722605
where:
bonds (distance) C4'-P energy: -76.556
bonds (distance) P-C4' energy: -101.616
flat angles C4'-P-C4' energy: -102.706
flat angles P-C4'-P energy: -59.850
tors. eta vs tors. theta energy: -89.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1329.068939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.068939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.068939 (E_RNA)
where:
Base-Base interactions energy: -919.836
where: short stacking energy: -382.532
Base-Backbone interact. energy: -3.337
local terms energy: -405.895578
where:
bonds (distance) C4'-P energy: -82.251
bonds (distance) P-C4' energy: -81.454
flat angles C4'-P-C4' energy: -96.333
flat angles P-C4'-P energy: -47.662
tors. eta vs tors. theta energy: -98.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -1093.083522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.083522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.083522 (E_RNA)
where:
Base-Base interactions energy: -698.839
where: short stacking energy: -298.237
Base-Backbone interact. energy: -0.457
local terms energy: -393.787501
where:
bonds (distance) C4'-P energy: -91.388
bonds (distance) P-C4' energy: -89.402
flat angles C4'-P-C4' energy: -79.778
flat angles P-C4'-P energy: -66.199
tors. eta vs tors. theta energy: -67.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -956.557891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.557891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.557891 (E_RNA)
where:
Base-Base interactions energy: -594.283
where: short stacking energy: -249.932
Base-Backbone interact. energy: -1.800
local terms energy: -360.474971
where:
bonds (distance) C4'-P energy: -83.700
bonds (distance) P-C4' energy: -96.702
flat angles C4'-P-C4' energy: -90.694
flat angles P-C4'-P energy: -56.994
tors. eta vs tors. theta energy: -32.385
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: 43
Temperature: 0.900000
Total energy: -1913.393755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.393755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.393755 (E_RNA)
where:
Base-Base interactions energy: -1378.059
where: short stacking energy: -546.088
Base-Backbone interact. energy: -2.391
local terms energy: -532.943947
where:
bonds (distance) C4'-P energy: -98.760
bonds (distance) P-C4' energy: -103.298
flat angles C4'-P-C4' energy: -121.473
flat angles P-C4'-P energy: -65.285
tors. eta vs tors. theta energy: -144.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1840.729216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.729216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.729216 (E_RNA)
where:
Base-Base interactions energy: -1286.230
where: short stacking energy: -507.822
Base-Backbone interact. energy: 0.601
local terms energy: -555.100456
where:
bonds (distance) C4'-P energy: -102.389
bonds (distance) P-C4' energy: -111.638
flat angles C4'-P-C4' energy: -108.053
flat angles P-C4'-P energy: -87.717
tors. eta vs tors. theta energy: -145.304
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: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1743.445700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.445700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.445700 (E_RNA)
where:
Base-Base interactions energy: -1217.831
where: short stacking energy: -466.473
Base-Backbone interact. energy: -2.330
local terms energy: -523.285366
where:
bonds (distance) C4'-P energy: -92.934
bonds (distance) P-C4' energy: -104.657
flat angles C4'-P-C4' energy: -109.691
flat angles P-C4'-P energy: -81.120
tors. eta vs tors. theta energy: -134.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1651.327538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.327538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.327538 (E_RNA)
where:
Base-Base interactions energy: -1149.005
where: short stacking energy: -488.610
Base-Backbone interact. energy: 0.164
local terms energy: -502.486481
where:
bonds (distance) C4'-P energy: -104.823
bonds (distance) P-C4' energy: -92.321
flat angles C4'-P-C4' energy: -105.691
flat angles P-C4'-P energy: -72.517
tors. eta vs tors. theta energy: -127.135
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: 5
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1660.883918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.883918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.883918 (E_RNA)
where:
Base-Base interactions energy: -1156.547
where: short stacking energy: -494.240
Base-Backbone interact. energy: -2.497
local terms energy: -501.839974
where:
bonds (distance) C4'-P energy: -86.248
bonds (distance) P-C4' energy: -101.849
flat angles C4'-P-C4' energy: -112.415
flat angles P-C4'-P energy: -62.649
tors. eta vs tors. theta energy: -138.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1468.965294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.965294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.965294 (E_RNA)
where:
Base-Base interactions energy: -1017.829
where: short stacking energy: -436.204
Base-Backbone interact. energy: -0.140
local terms energy: -450.996305
where:
bonds (distance) C4'-P energy: -81.646
bonds (distance) P-C4' energy: -91.035
flat angles C4'-P-C4' energy: -100.282
flat angles P-C4'-P energy: -61.738
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: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1333.041808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.041808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.041808 (E_RNA)
where:
Base-Base interactions energy: -913.711
where: short stacking energy: -387.288
Base-Backbone interact. energy: -0.138
local terms energy: -419.192750
where:
bonds (distance) C4'-P energy: -78.839
bonds (distance) P-C4' energy: -79.518
flat angles C4'-P-C4' energy: -110.684
flat angles P-C4'-P energy: -61.313
tors. eta vs tors. theta energy: -88.839
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: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -1317.307694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.307694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.307694 (E_RNA)
where:
Base-Base interactions energy: -919.003
where: short stacking energy: -366.938
Base-Backbone interact. energy: -0.951
local terms energy: -397.353336
where:
bonds (distance) C4'-P energy: -78.455
bonds (distance) P-C4' energy: -86.177
flat angles C4'-P-C4' energy: -96.449
flat angles P-C4'-P energy: -54.331
tors. eta vs tors. theta energy: -81.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -1104.541144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.541144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.541144 (E_RNA)
where:
Base-Base interactions energy: -720.424
where: short stacking energy: -303.483
Base-Backbone interact. energy: -0.661
local terms energy: -383.456142
where:
bonds (distance) C4'-P energy: -94.602
bonds (distance) P-C4' energy: -87.103
flat angles C4'-P-C4' energy: -87.623
flat angles P-C4'-P energy: -48.483
tors. eta vs tors. theta energy: -65.645
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: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -1005.903085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.903085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.903085 (E_RNA)
where:
Base-Base interactions energy: -644.302
where: short stacking energy: -272.817
Base-Backbone interact. energy: 0.141
local terms energy: -361.742678
where:
bonds (distance) C4'-P energy: -83.435
bonds (distance) P-C4' energy: -96.576
flat angles C4'-P-C4' energy: -78.637
flat angles P-C4'-P energy: -59.655
tors. eta vs tors. theta energy: -43.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1922.295236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.295236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.295236 (E_RNA)
where:
Base-Base interactions energy: -1362.951
where: short stacking energy: -535.069
Base-Backbone interact. energy: -2.239
local terms energy: -557.105354
where:
bonds (distance) C4'-P energy: -99.733
bonds (distance) P-C4' energy: -103.015
flat angles C4'-P-C4' energy: -118.623
flat angles P-C4'-P energy: -85.189
tors. eta vs tors. theta energy: -150.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1853.317676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.317676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.317676 (E_RNA)
where:
Base-Base interactions energy: -1298.233
where: short stacking energy: -520.447
Base-Backbone interact. energy: -1.960
local terms energy: -553.124263
where:
bonds (distance) C4'-P energy: -101.447
bonds (distance) P-C4' energy: -104.508
flat angles C4'-P-C4' energy: -113.933
flat angles P-C4'-P energy: -85.231
tors. eta vs tors. theta energy: -148.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1747.466404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.466404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.466404 (E_RNA)
where:
Base-Base interactions energy: -1238.136
where: short stacking energy: -513.743
Base-Backbone interact. energy: -1.382
local terms energy: -507.948837
where:
bonds (distance) C4'-P energy: -88.305
bonds (distance) P-C4' energy: -102.232
flat angles C4'-P-C4' energy: -106.087
flat angles P-C4'-P energy: -69.961
tors. eta vs tors. theta energy: -141.365
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: 44
Temperature: 1.050000
Total energy: -1697.499745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.499745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.499745 (E_RNA)
where:
Base-Base interactions energy: -1183.740
where: short stacking energy: -494.650
Base-Backbone interact. energy: 8.017
local terms energy: -521.777079
where:
bonds (distance) C4'-P energy: -100.002
bonds (distance) P-C4' energy: -100.802
flat angles C4'-P-C4' energy: -119.416
flat angles P-C4'-P energy: -73.880
tors. eta vs tors. theta energy: -127.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1653.504503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.504503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.504503 (E_RNA)
where:
Base-Base interactions energy: -1147.364
where: short stacking energy: -466.416
Base-Backbone interact. energy: -2.015
local terms energy: -504.125261
where:
bonds (distance) C4'-P energy: -101.540
bonds (distance) P-C4' energy: -97.398
flat angles C4'-P-C4' energy: -109.351
flat angles P-C4'-P energy: -61.393
tors. eta vs tors. theta energy: -134.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1475.721155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.721155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.721155 (E_RNA)
where:
Base-Base interactions energy: -1017.712
where: short stacking energy: -420.800
Base-Backbone interact. energy: 0.789
local terms energy: -458.798610
where:
bonds (distance) C4'-P energy: -81.860
bonds (distance) P-C4' energy: -108.301
flat angles C4'-P-C4' energy: -100.002
flat angles P-C4'-P energy: -57.315
tors. eta vs tors. theta energy: -111.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1358.038054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.038054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.038054 (E_RNA)
where:
Base-Base interactions energy: -932.250
where: short stacking energy: -383.084
Base-Backbone interact. energy: 1.528
local terms energy: -427.315938
where:
bonds (distance) C4'-P energy: -93.620
bonds (distance) P-C4' energy: -83.771
flat angles C4'-P-C4' energy: -102.599
flat angles P-C4'-P energy: -62.972
tors. eta vs tors. theta energy: -84.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -1356.869075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.869075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.869075 (E_RNA)
where:
Base-Base interactions energy: -929.074
where: short stacking energy: -418.732
Base-Backbone interact. energy: -3.328
local terms energy: -424.467302
where:
bonds (distance) C4'-P energy: -69.837
bonds (distance) P-C4' energy: -92.934
flat angles C4'-P-C4' energy: -90.985
flat angles P-C4'-P energy: -61.642
tors. eta vs tors. theta energy: -109.070
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: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -1107.965842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.965842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.965842 (E_RNA)
where:
Base-Base interactions energy: -744.398
where: short stacking energy: -332.165
Base-Backbone interact. energy: -2.626
local terms energy: -360.941924
where:
bonds (distance) C4'-P energy: -75.449
bonds (distance) P-C4' energy: -66.797
flat angles C4'-P-C4' energy: -89.748
flat angles P-C4'-P energy: -62.554
tors. eta vs tors. theta energy: -66.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -988.091343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.091343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.091343 (E_RNA)
where:
Base-Base interactions energy: -651.158
where: short stacking energy: -275.405
Base-Backbone interact. energy: 1.086
local terms energy: -338.019692
where:
bonds (distance) C4'-P energy: -87.123
bonds (distance) P-C4' energy: -90.695
flat angles C4'-P-C4' energy: -68.887
flat angles P-C4'-P energy: -47.390
tors. eta vs tors. theta energy: -43.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1904.355453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.355453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.355453 (E_RNA)
where:
Base-Base interactions energy: -1346.536
where: short stacking energy: -519.583
Base-Backbone interact. energy: -1.636
local terms energy: -556.183870
where:
bonds (distance) C4'-P energy: -101.106
bonds (distance) P-C4' energy: -105.814
flat angles C4'-P-C4' energy: -119.685
flat angles P-C4'-P energy: -79.603
tors. eta vs tors. theta energy: -149.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1849.789058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.789058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.789058 (E_RNA)
where:
Base-Base interactions energy: -1302.494
where: short stacking energy: -532.118
Base-Backbone interact. energy: 0.115
local terms energy: -547.410287
where:
bonds (distance) C4'-P energy: -101.063
bonds (distance) P-C4' energy: -89.703
flat angles C4'-P-C4' energy: -120.594
flat angles P-C4'-P energy: -86.398
tors. eta vs tors. theta energy: -149.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1777.528086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.528086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.528086 (E_RNA)
where:
Base-Base interactions energy: -1239.469
where: short stacking energy: -523.086
Base-Backbone interact. energy: 0.247
local terms energy: -538.305370
where:
bonds (distance) C4'-P energy: -86.939
bonds (distance) P-C4' energy: -106.495
flat angles C4'-P-C4' energy: -112.782
flat angles P-C4'-P energy: -82.414
tors. eta vs tors. theta energy: -149.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1642.502040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.502040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.502040 (E_RNA)
where:
Base-Base interactions energy: -1133.338
where: short stacking energy: -456.813
Base-Backbone interact. energy: -1.781
local terms energy: -507.382327
where:
bonds (distance) C4'-P energy: -97.874
bonds (distance) P-C4' energy: -95.233
flat angles C4'-P-C4' energy: -110.233
flat angles P-C4'-P energy: -74.590
tors. eta vs tors. theta energy: -129.453
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: 5, replica: 3
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1583.292609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.292609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.292609 (E_RNA)
where:
Base-Base interactions energy: -1126.953
where: short stacking energy: -451.021
Base-Backbone interact. energy: 0.739
local terms energy: -457.079058
where:
bonds (distance) C4'-P energy: -84.342
bonds (distance) P-C4' energy: -83.409
flat angles C4'-P-C4' energy: -117.213
flat angles P-C4'-P energy: -66.794
tors. eta vs tors. theta energy: -105.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1448.318335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.318335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.318335 (E_RNA)
where:
Base-Base interactions energy: -1007.369
where: short stacking energy: -427.975
Base-Backbone interact. energy: -2.921
local terms energy: -438.027540
where:
bonds (distance) C4'-P energy: -87.685
bonds (distance) P-C4' energy: -72.754
flat angles C4'-P-C4' energy: -98.588
flat angles P-C4'-P energy: -72.019
tors. eta vs tors. theta energy: -106.981
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: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1342.162417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.162417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.162417 (E_RNA)
where:
Base-Base interactions energy: -922.570
where: short stacking energy: -368.589
Base-Backbone interact. energy: -2.668
local terms energy: -416.924011
where:
bonds (distance) C4'-P energy: -87.018
bonds (distance) P-C4' energy: -99.075
flat angles C4'-P-C4' energy: -93.699
flat angles P-C4'-P energy: -53.596
tors. eta vs tors. theta energy: -83.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -1337.850413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.850413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.850413 (E_RNA)
where:
Base-Base interactions energy: -912.191
where: short stacking energy: -365.476
Base-Backbone interact. energy: 2.523
local terms energy: -428.182554
where:
bonds (distance) C4'-P energy: -89.584
bonds (distance) P-C4' energy: -98.132
flat angles C4'-P-C4' energy: -101.490
flat angles P-C4'-P energy: -60.161
tors. eta vs tors. theta energy: -78.817
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: 9, replica: 10
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -1133.566232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.566232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.566232 (E_RNA)
where:
Base-Base interactions energy: -743.875
where: short stacking energy: -300.814
Base-Backbone interact. energy: -1.805
local terms energy: -387.886130
where:
bonds (distance) C4'-P energy: -90.451
bonds (distance) P-C4' energy: -80.453
flat angles C4'-P-C4' energy: -96.734
flat angles P-C4'-P energy: -56.101
tors. eta vs tors. theta energy: -64.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -978.510917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.510917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.510917 (E_RNA)
where:
Base-Base interactions energy: -643.396
where: short stacking energy: -270.460
Base-Backbone interact. energy: -2.743
local terms energy: -332.371984
where:
bonds (distance) C4'-P energy: -70.835
bonds (distance) P-C4' energy: -82.178
flat angles C4'-P-C4' energy: -89.500
flat angles P-C4'-P energy: -53.109
tors. eta vs tors. theta energy: -36.750
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: 46
Temperature: 0.900000
Total energy: -1870.665191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.665191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.665191 (E_RNA)
where:
Base-Base interactions energy: -1306.023
where: short stacking energy: -554.091
Base-Backbone interact. energy: 1.829
local terms energy: -566.471688
where:
bonds (distance) C4'-P energy: -109.984
bonds (distance) P-C4' energy: -115.086
flat angles C4'-P-C4' energy: -109.761
flat angles P-C4'-P energy: -79.336
tors. eta vs tors. theta energy: -152.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1864.041136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.041136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.041136 (E_RNA)
where:
Base-Base interactions energy: -1345.276
where: short stacking energy: -526.040
Base-Backbone interact. energy: -1.050
local terms energy: -517.714810
where:
bonds (distance) C4'-P energy: -99.745
bonds (distance) P-C4' energy: -86.437
flat angles C4'-P-C4' energy: -108.492
flat angles P-C4'-P energy: -79.584
tors. eta vs tors. theta energy: -143.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1685.674907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.674907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.674907 (E_RNA)
where:
Base-Base interactions energy: -1166.931
where: short stacking energy: -477.781
Base-Backbone interact. energy: -2.940
local terms energy: -515.804060
where:
bonds (distance) C4'-P energy: -96.689
bonds (distance) P-C4' energy: -104.636
flat angles C4'-P-C4' energy: -116.454
flat angles P-C4'-P energy: -74.835
tors. eta vs tors. theta energy: -123.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1730.790392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.790392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.790392 (E_RNA)
where:
Base-Base interactions energy: -1220.857
where: short stacking energy: -511.909
Base-Backbone interact. energy: -4.923
local terms energy: -505.009440
where:
bonds (distance) C4'-P energy: -94.540
bonds (distance) P-C4' energy: -92.053
flat angles C4'-P-C4' energy: -105.858
flat angles P-C4'-P energy: -69.891
tors. eta vs tors. theta energy: -142.668
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: 46
Temperature: 1.100000
Total energy: -1553.869911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.869911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.869911 (E_RNA)
where:
Base-Base interactions energy: -1088.908
where: short stacking energy: -461.329
Base-Backbone interact. energy: -0.870
local terms energy: -464.092061
where:
bonds (distance) C4'-P energy: -79.532
bonds (distance) P-C4' energy: -97.457
flat angles C4'-P-C4' energy: -99.553
flat angles P-C4'-P energy: -73.795
tors. eta vs tors. theta energy: -113.755
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: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1451.513188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.513188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.513188 (E_RNA)
where:
Base-Base interactions energy: -1010.562
where: short stacking energy: -397.709
Base-Backbone interact. energy: -3.133
local terms energy: -437.818532
where:
bonds (distance) C4'-P energy: -79.995
bonds (distance) P-C4' energy: -82.861
flat angles C4'-P-C4' energy: -114.207
flat angles P-C4'-P energy: -70.573
tors. eta vs tors. theta energy: -90.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1388.021513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.021513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.021513 (E_RNA)
where:
Base-Base interactions energy: -983.032
where: short stacking energy: -406.703
Base-Backbone interact. energy: -0.028
local terms energy: -404.961396
where:
bonds (distance) C4'-P energy: -77.254
bonds (distance) P-C4' energy: -67.746
flat angles C4'-P-C4' energy: -98.608
flat angles P-C4'-P energy: -63.351
tors. eta vs tors. theta energy: -98.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1261.921142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.921142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.921142 (E_RNA)
where:
Base-Base interactions energy: -876.176
where: short stacking energy: -364.523
Base-Backbone interact. energy: 0.583
local terms energy: -386.328520
where:
bonds (distance) C4'-P energy: -81.999
bonds (distance) P-C4' energy: -97.488
flat angles C4'-P-C4' energy: -92.851
flat angles P-C4'-P energy: -51.948
tors. eta vs tors. theta energy: -62.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -1102.645954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.645954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.645954 (E_RNA)
where:
Base-Base interactions energy: -747.552
where: short stacking energy: -318.232
Base-Backbone interact. energy: -1.457
local terms energy: -353.636969
where:
bonds (distance) C4'-P energy: -74.765
bonds (distance) P-C4' energy: -89.279
flat angles C4'-P-C4' energy: -87.397
flat angles P-C4'-P energy: -48.337
tors. eta vs tors. theta energy: -53.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -974.901614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.901614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.901614 (E_RNA)
where:
Base-Base interactions energy: -621.665
where: short stacking energy: -262.701
Base-Backbone interact. energy: -0.296
local terms energy: -352.940031
where:
bonds (distance) C4'-P energy: -89.448
bonds (distance) P-C4' energy: -94.374
flat angles C4'-P-C4' energy: -76.467
flat angles P-C4'-P energy: -58.166
tors. eta vs tors. theta energy: -34.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1856.930568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.930568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.930568 (E_RNA)
where:
Base-Base interactions energy: -1270.002
where: short stacking energy: -523.083
Base-Backbone interact. energy: -4.839
local terms energy: -582.089894
where:
bonds (distance) C4'-P energy: -103.537
bonds (distance) P-C4' energy: -117.425
flat angles C4'-P-C4' energy: -124.663
flat angles P-C4'-P energy: -81.312
tors. eta vs tors. theta energy: -155.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1885.525881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.525881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.525881 (E_RNA)
where:
Base-Base interactions energy: -1331.128
where: short stacking energy: -527.762
Base-Backbone interact. energy: -3.820
local terms energy: -550.577993
where:
bonds (distance) C4'-P energy: -90.279
bonds (distance) P-C4' energy: -118.336
flat angles C4'-P-C4' energy: -115.302
flat angles P-C4'-P energy: -80.973
tors. eta vs tors. theta energy: -145.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1711.127155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.127155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.127155 (E_RNA)
where:
Base-Base interactions energy: -1185.887
where: short stacking energy: -491.990
Base-Backbone interact. energy: -1.182
local terms energy: -524.058353
where:
bonds (distance) C4'-P energy: -92.594
bonds (distance) P-C4' energy: -114.063
flat angles C4'-P-C4' energy: -109.348
flat angles P-C4'-P energy: -70.451
tors. eta vs tors. theta energy: -137.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1715.583328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.583328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.583328 (E_RNA)
where:
Base-Base interactions energy: -1215.042
where: short stacking energy: -499.970
Base-Backbone interact. energy: -2.936
local terms energy: -497.606042
where:
bonds (distance) C4'-P energy: -85.812
bonds (distance) P-C4' energy: -96.586
flat angles C4'-P-C4' energy: -108.739
flat angles P-C4'-P energy: -74.050
tors. eta vs tors. theta energy: -132.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1551.329229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.329229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.329229 (E_RNA)
where:
Base-Base interactions energy: -1076.467
where: short stacking energy: -449.097
Base-Backbone interact. energy: -2.868
local terms energy: -471.994428
where:
bonds (distance) C4'-P energy: -74.649
bonds (distance) P-C4' energy: -110.257
flat angles C4'-P-C4' energy: -107.061
flat angles P-C4'-P energy: -67.082
tors. eta vs tors. theta energy: -112.946
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: 6, replica: 6
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1469.745705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.745705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.745705 (E_RNA)
where:
Base-Base interactions energy: -1022.112
where: short stacking energy: -441.380
Base-Backbone interact. energy: 2.093
local terms energy: -449.726542
where:
bonds (distance) C4'-P energy: -84.318
bonds (distance) P-C4' energy: -96.406
flat angles C4'-P-C4' energy: -99.340
flat angles P-C4'-P energy: -66.847
tors. eta vs tors. theta energy: -102.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1371.152877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.152877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.152877 (E_RNA)
where:
Base-Base interactions energy: -918.037
where: short stacking energy: -384.353
Base-Backbone interact. energy: 0.088
local terms energy: -453.202941
where:
bonds (distance) C4'-P energy: -97.592
bonds (distance) P-C4' energy: -97.607
flat angles C4'-P-C4' energy: -102.458
flat angles P-C4'-P energy: -64.855
tors. eta vs tors. theta energy: -90.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1126.219907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.219907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.219907 (E_RNA)
where:
Base-Base interactions energy: -762.453
where: short stacking energy: -321.904
Base-Backbone interact. energy: -1.144
local terms energy: -362.623695
where:
bonds (distance) C4'-P energy: -78.139
bonds (distance) P-C4' energy: -77.379
flat angles C4'-P-C4' energy: -94.700
flat angles P-C4'-P energy: -44.187
tors. eta vs tors. theta energy: -68.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -1204.032487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.032487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.032487 (E_RNA)
where:
Base-Base interactions energy: -843.230
where: short stacking energy: -350.094
Base-Backbone interact. energy: -1.786
local terms energy: -359.017043
where:
bonds (distance) C4'-P energy: -58.489
bonds (distance) P-C4' energy: -79.403
flat angles C4'-P-C4' energy: -88.784
flat angles P-C4'-P energy: -47.977
tors. eta vs tors. theta energy: -84.365
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: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -970.515749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.515749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.515749 (E_RNA)
where:
Base-Base interactions energy: -641.903
where: short stacking energy: -282.715
Base-Backbone interact. energy: 0.878
local terms energy: -329.491088
where:
bonds (distance) C4'-P energy: -81.584
bonds (distance) P-C4' energy: -83.253
flat angles C4'-P-C4' energy: -92.238
flat angles P-C4'-P energy: -40.664
tors. eta vs tors. theta energy: -31.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1924.839938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.839938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.839938 (E_RNA)
where:
Base-Base interactions energy: -1357.861
where: short stacking energy: -529.333
Base-Backbone interact. energy: -4.373
local terms energy: -562.606185
where:
bonds (distance) C4'-P energy: -104.818
bonds (distance) P-C4' energy: -102.493
flat angles C4'-P-C4' energy: -120.633
flat angles P-C4'-P energy: -80.687
tors. eta vs tors. theta energy: -153.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1835.380383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.380383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.380383 (E_RNA)
where:
Base-Base interactions energy: -1293.540
where: short stacking energy: -516.469
Base-Backbone interact. energy: -4.740
local terms energy: -537.100150
where:
bonds (distance) C4'-P energy: -111.125
bonds (distance) P-C4' energy: -85.061
flat angles C4'-P-C4' energy: -122.272
flat angles P-C4'-P energy: -73.602
tors. eta vs tors. theta energy: -145.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1743.655181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.655181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.655181 (E_RNA)
where:
Base-Base interactions energy: -1202.352
where: short stacking energy: -521.777
Base-Backbone interact. energy: -2.248
local terms energy: -539.055165
where:
bonds (distance) C4'-P energy: -101.667
bonds (distance) P-C4' energy: -92.903
flat angles C4'-P-C4' energy: -124.601
flat angles P-C4'-P energy: -75.115
tors. eta vs tors. theta energy: -144.770
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: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1684.873382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.873382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.873382 (E_RNA)
where:
Base-Base interactions energy: -1181.063
where: short stacking energy: -520.617
Base-Backbone interact. energy: -0.500
local terms energy: -503.311155
where:
bonds (distance) C4'-P energy: -102.581
bonds (distance) P-C4' energy: -92.860
flat angles C4'-P-C4' energy: -95.406
flat angles P-C4'-P energy: -75.032
tors. eta vs tors. theta energy: -137.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1582.900187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.900187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.900187 (E_RNA)
where:
Base-Base interactions energy: -1105.041
where: short stacking energy: -440.714
Base-Backbone interact. energy: 2.748
local terms energy: -480.606796
where:
bonds (distance) C4'-P energy: -81.856
bonds (distance) P-C4' energy: -94.148
flat angles C4'-P-C4' energy: -103.644
flat angles P-C4'-P energy: -82.023
tors. eta vs tors. theta energy: -118.936
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: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1458.339087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.339087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.339087 (E_RNA)
where:
Base-Base interactions energy: -984.869
where: short stacking energy: -419.653
Base-Backbone interact. energy: -2.594
local terms energy: -470.875807
where:
bonds (distance) C4'-P energy: -82.759
bonds (distance) P-C4' energy: -106.769
flat angles C4'-P-C4' energy: -97.336
flat angles P-C4'-P energy: -79.525
tors. eta vs tors. theta energy: -104.487
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: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1355.606290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.606290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.606290 (E_RNA)
where:
Base-Base interactions energy: -929.133
where: short stacking energy: -386.894
Base-Backbone interact. energy: -0.996
local terms energy: -425.477047
where:
bonds (distance) C4'-P energy: -83.931
bonds (distance) P-C4' energy: -103.948
flat angles C4'-P-C4' energy: -81.965
flat angles P-C4'-P energy: -69.984
tors. eta vs tors. theta energy: -85.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1208.327283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.327283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.327283 (E_RNA)
where:
Base-Base interactions energy: -808.643
where: short stacking energy: -340.781
Base-Backbone interact. energy: 6.511
local terms energy: -406.195808
where:
bonds (distance) C4'-P energy: -95.048
bonds (distance) P-C4' energy: -90.149
flat angles C4'-P-C4' energy: -82.908
flat angles P-C4'-P energy: -57.733
tors. eta vs tors. theta energy: -80.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -1201.642212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.642212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.642212 (E_RNA)
where:
Base-Base interactions energy: -832.964
where: short stacking energy: -331.131
Base-Backbone interact. energy: -2.254
local terms energy: -366.424460
where:
bonds (distance) C4'-P energy: -61.927
bonds (distance) P-C4' energy: -92.479
flat angles C4'-P-C4' energy: -79.254
flat angles P-C4'-P energy: -69.528
tors. eta vs tors. theta energy: -63.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -964.810944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.810944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.810944 (E_RNA)
where:
Base-Base interactions energy: -626.495
where: short stacking energy: -273.640
Base-Backbone interact. energy: -0.526
local terms energy: -337.790147
where:
bonds (distance) C4'-P energy: -60.784
bonds (distance) P-C4' energy: -106.943
flat angles C4'-P-C4' energy: -75.493
flat angles P-C4'-P energy: -53.050
tors. eta vs tors. theta energy: -41.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1926.132774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.132774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.132774 (E_RNA)
where:
Base-Base interactions energy: -1373.141
where: short stacking energy: -558.482
Base-Backbone interact. energy: -2.585
local terms energy: -550.407241
where:
bonds (distance) C4'-P energy: -89.974
bonds (distance) P-C4' energy: -110.235
flat angles C4'-P-C4' energy: -112.881
flat angles P-C4'-P energy: -80.571
tors. eta vs tors. theta energy: -156.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1836.084093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.084093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.084093 (E_RNA)
where:
Base-Base interactions energy: -1259.064
where: short stacking energy: -523.212
Base-Backbone interact. energy: -3.600
local terms energy: -573.420118
where:
bonds (distance) C4'-P energy: -107.561
bonds (distance) P-C4' energy: -109.186
flat angles C4'-P-C4' energy: -122.058
flat angles P-C4'-P energy: -84.011
tors. eta vs tors. theta energy: -150.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1779.435379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.435379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.435379 (E_RNA)
where:
Base-Base interactions energy: -1258.694
where: short stacking energy: -522.616
Base-Backbone interact. energy: -2.890
local terms energy: -517.851317
where:
bonds (distance) C4'-P energy: -94.440
bonds (distance) P-C4' energy: -95.306
flat angles C4'-P-C4' energy: -110.195
flat angles P-C4'-P energy: -79.834
tors. eta vs tors. theta energy: -138.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1659.026301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.026301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.026301 (E_RNA)
where:
Base-Base interactions energy: -1165.505
where: short stacking energy: -478.973
Base-Backbone interact. energy: -1.558
local terms energy: -491.962984
where:
bonds (distance) C4'-P energy: -91.033
bonds (distance) P-C4' energy: -92.332
flat angles C4'-P-C4' energy: -110.536
flat angles P-C4'-P energy: -69.234
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: 49
Temperature: 1.100000
Total energy: -1583.908960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.908960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.908960 (E_RNA)
where:
Base-Base interactions energy: -1119.767
where: short stacking energy: -456.362
Base-Backbone interact. energy: 0.025
local terms energy: -464.166657
where:
bonds (distance) C4'-P energy: -89.460
bonds (distance) P-C4' energy: -91.950
flat angles C4'-P-C4' energy: -96.473
flat angles P-C4'-P energy: -72.375
tors. eta vs tors. theta energy: -113.908
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: 6
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1412.587863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.587863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.587863 (E_RNA)
where:
Base-Base interactions energy: -986.648
where: short stacking energy: -412.525
Base-Backbone interact. energy: -3.411
local terms energy: -422.528360
where:
bonds (distance) C4'-P energy: -76.420
bonds (distance) P-C4' energy: -92.050
flat angles C4'-P-C4' energy: -111.470
flat angles P-C4'-P energy: -50.319
tors. eta vs tors. theta energy: -92.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1351.794553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.794553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.794553 (E_RNA)
where:
Base-Base interactions energy: -916.149
where: short stacking energy: -389.725
Base-Backbone interact. energy: 4.192
local terms energy: -439.838435
where:
bonds (distance) C4'-P energy: -86.293
bonds (distance) P-C4' energy: -94.352
flat angles C4'-P-C4' energy: -95.517
flat angles P-C4'-P energy: -72.149
tors. eta vs tors. theta energy: -91.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -1195.845260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.845260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.845260 (E_RNA)
where:
Base-Base interactions energy: -821.992
where: short stacking energy: -349.847
Base-Backbone interact. energy: -1.076
local terms energy: -372.776884
where:
bonds (distance) C4'-P energy: -92.135
bonds (distance) P-C4' energy: -75.075
flat angles C4'-P-C4' energy: -98.179
flat angles P-C4'-P energy: -46.924
tors. eta vs tors. theta energy: -60.464
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: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -1132.846586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.846586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.846586 (E_RNA)
where:
Base-Base interactions energy: -739.683
where: short stacking energy: -318.127
Base-Backbone interact. energy: 2.334
local terms energy: -395.498039
where:
bonds (distance) C4'-P energy: -89.482
bonds (distance) P-C4' energy: -92.865
flat angles C4'-P-C4' energy: -90.830
flat angles P-C4'-P energy: -50.532
tors. eta vs tors. theta energy: -71.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -961.609720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.609720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.609720 (E_RNA)
where:
Base-Base interactions energy: -641.692
where: short stacking energy: -277.418
Base-Backbone interact. energy: -5.101
local terms energy: -314.816233
where:
bonds (distance) C4'-P energy: -64.346
bonds (distance) P-C4' energy: -79.895
flat angles C4'-P-C4' energy: -79.024
flat angles P-C4'-P energy: -60.298
tors. eta vs tors. theta energy: -31.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1887.052008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.052008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.052008 (E_RNA)
where:
Base-Base interactions energy: -1323.681
where: short stacking energy: -521.227
Base-Backbone interact. energy: -3.142
local terms energy: -560.229065
where:
bonds (distance) C4'-P energy: -106.042
bonds (distance) P-C4' energy: -105.052
flat angles C4'-P-C4' energy: -128.035
flat angles P-C4'-P energy: -74.826
tors. eta vs tors. theta energy: -146.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1851.159116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.159116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.159116 (E_RNA)
where:
Base-Base interactions energy: -1296.627
where: short stacking energy: -527.540
Base-Backbone interact. energy: -1.573
local terms energy: -552.959288
where:
bonds (distance) C4'-P energy: -104.069
bonds (distance) P-C4' energy: -106.954
flat angles C4'-P-C4' energy: -112.971
flat angles P-C4'-P energy: -82.911
tors. eta vs tors. theta energy: -146.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1774.346742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.346742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.346742 (E_RNA)
where:
Base-Base interactions energy: -1249.705
where: short stacking energy: -524.375
Base-Backbone interact. energy: -0.151
local terms energy: -524.490666
where:
bonds (distance) C4'-P energy: -96.261
bonds (distance) P-C4' energy: -108.580
flat angles C4'-P-C4' energy: -110.325
flat angles P-C4'-P energy: -60.488
tors. eta vs tors. theta energy: -148.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1668.434696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.434696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.434696 (E_RNA)
where:
Base-Base interactions energy: -1180.382
where: short stacking energy: -492.261
Base-Backbone interact. energy: -1.784
local terms energy: -486.268769
where:
bonds (distance) C4'-P energy: -86.701
bonds (distance) P-C4' energy: -89.321
flat angles C4'-P-C4' energy: -109.476
flat angles P-C4'-P energy: -75.546
tors. eta vs tors. theta energy: -125.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1567.215421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.215421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.215421 (E_RNA)
where:
Base-Base interactions energy: -1090.916
where: short stacking energy: -446.047
Base-Backbone interact. energy: -2.984
local terms energy: -473.315472
where:
bonds (distance) C4'-P energy: -98.650
bonds (distance) P-C4' energy: -96.652
flat angles C4'-P-C4' energy: -100.122
flat angles P-C4'-P energy: -72.248
tors. eta vs tors. theta energy: -105.644
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: 6, replica: 6
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1453.680248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.680248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.680248 (E_RNA)
where:
Base-Base interactions energy: -1009.238
where: short stacking energy: -415.809
Base-Backbone interact. energy: -4.199
local terms energy: -440.244198
where:
bonds (distance) C4'-P energy: -79.703
bonds (distance) P-C4' energy: -93.378
flat angles C4'-P-C4' energy: -103.080
flat angles P-C4'-P energy: -59.526
tors. eta vs tors. theta energy: -104.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1382.806735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.806735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.806735 (E_RNA)
where:
Base-Base interactions energy: -947.551
where: short stacking energy: -409.384
Base-Backbone interact. energy: -0.411
local terms energy: -434.844601
where:
bonds (distance) C4'-P energy: -93.851
bonds (distance) P-C4' energy: -82.846
flat angles C4'-P-C4' energy: -99.943
flat angles P-C4'-P energy: -65.691
tors. eta vs tors. theta energy: -92.513
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: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -1229.209077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.209077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.209077 (E_RNA)
where:
Base-Base interactions energy: -837.849
where: short stacking energy: -348.656
Base-Backbone interact. energy: 3.638
local terms energy: -394.998682
where:
bonds (distance) C4'-P energy: -80.722
bonds (distance) P-C4' energy: -78.628
flat angles C4'-P-C4' energy: -97.893
flat angles P-C4'-P energy: -65.224
tors. eta vs tors. theta energy: -72.532
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: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -1097.003854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.003854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.003854 (E_RNA)
where:
Base-Base interactions energy: -730.568
where: short stacking energy: -311.782
Base-Backbone interact. energy: -2.007
local terms energy: -364.428877
where:
bonds (distance) C4'-P energy: -75.573
bonds (distance) P-C4' energy: -95.587
flat angles C4'-P-C4' energy: -80.696
flat angles P-C4'-P energy: -53.883
tors. eta vs tors. theta energy: -58.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -956.483556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.483556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.483556 (E_RNA)
where:
Base-Base interactions energy: -619.338
where: short stacking energy: -279.370
Base-Backbone interact. energy: -1.389
local terms energy: -335.756443
where:
bonds (distance) C4'-P energy: -62.263
bonds (distance) P-C4' energy: -89.921
flat angles C4'-P-C4' energy: -100.832
flat angles P-C4'-P energy: -41.927
tors. eta vs tors. theta energy: -40.813
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: 51
Temperature: 0.900000
Total energy: -1885.521103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.521103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.521103 (E_RNA)
where:
Base-Base interactions energy: -1324.729
where: short stacking energy: -517.467
Base-Backbone interact. energy: -3.959
local terms energy: -556.833553
where:
bonds (distance) C4'-P energy: -109.226
bonds (distance) P-C4' energy: -108.300
flat angles C4'-P-C4' energy: -119.456
flat angles P-C4'-P energy: -71.836
tors. eta vs tors. theta energy: -148.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1833.695099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.695099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.695099 (E_RNA)
where:
Base-Base interactions energy: -1278.633
where: short stacking energy: -520.777
Base-Backbone interact. energy: -1.100
local terms energy: -553.961398
where:
bonds (distance) C4'-P energy: -107.839
bonds (distance) P-C4' energy: -106.644
flat angles C4'-P-C4' energy: -120.076
flat angles P-C4'-P energy: -83.753
tors. eta vs tors. theta energy: -135.649
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: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1714.707151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.707151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.707151 (E_RNA)
where:
Base-Base interactions energy: -1200.133
where: short stacking energy: -500.188
Base-Backbone interact. energy: 5.294
local terms energy: -519.868594
where:
bonds (distance) C4'-P energy: -86.288
bonds (distance) P-C4' energy: -105.320
flat angles C4'-P-C4' energy: -116.321
flat angles P-C4'-P energy: -67.903
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: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1663.694993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.694993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.694993 (E_RNA)
where:
Base-Base interactions energy: -1160.247
where: short stacking energy: -480.706
Base-Backbone interact. energy: -1.377
local terms energy: -502.071635
where:
bonds (distance) C4'-P energy: -89.957
bonds (distance) P-C4' energy: -95.544
flat angles C4'-P-C4' energy: -112.181
flat angles P-C4'-P energy: -70.053
tors. eta vs tors. theta energy: -134.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1549.893340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.893340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.893340 (E_RNA)
where:
Base-Base interactions energy: -1106.694
where: short stacking energy: -451.027
Base-Backbone interact. energy: -2.508
local terms energy: -440.691588
where:
bonds (distance) C4'-P energy: -69.376
bonds (distance) P-C4' energy: -95.560
flat angles C4'-P-C4' energy: -106.739
flat angles P-C4'-P energy: -60.024
tors. eta vs tors. theta energy: -108.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1432.547710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.547710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.547710 (E_RNA)
where:
Base-Base interactions energy: -1007.597
where: short stacking energy: -400.383
Base-Backbone interact. energy: -1.633
local terms energy: -423.317093
where:
bonds (distance) C4'-P energy: -82.387
bonds (distance) P-C4' energy: -80.730
flat angles C4'-P-C4' energy: -104.858
flat angles P-C4'-P energy: -61.702
tors. eta vs tors. theta energy: -93.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1343.658794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.658794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.658794 (E_RNA)
where:
Base-Base interactions energy: -919.353
where: short stacking energy: -395.192
Base-Backbone interact. energy: 2.395
local terms energy: -426.701133
where:
bonds (distance) C4'-P energy: -102.821
bonds (distance) P-C4' energy: -92.272
flat angles C4'-P-C4' energy: -87.295
flat angles P-C4'-P energy: -42.427
tors. eta vs tors. theta energy: -101.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -1257.038881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.038881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.038881 (E_RNA)
where:
Base-Base interactions energy: -834.705
where: short stacking energy: -345.770
Base-Backbone interact. energy: 0.389
local terms energy: -422.723457
where:
bonds (distance) C4'-P energy: -79.726
bonds (distance) P-C4' energy: -94.296
flat angles C4'-P-C4' energy: -99.227
flat angles P-C4'-P energy: -68.726
tors. eta vs tors. theta energy: -80.748
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: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -1060.589195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.589195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.589195 (E_RNA)
where:
Base-Base interactions energy: -695.259
where: short stacking energy: -301.664
Base-Backbone interact. energy: 2.229
local terms energy: -367.559154
where:
bonds (distance) C4'-P energy: -76.014
bonds (distance) P-C4' energy: -94.170
flat angles C4'-P-C4' energy: -87.605
flat angles P-C4'-P energy: -57.349
tors. eta vs tors. theta energy: -52.422
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: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -944.366387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.366387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.366387 (E_RNA)
where:
Base-Base interactions energy: -619.212
where: short stacking energy: -268.704
Base-Backbone interact. energy: 1.505
local terms energy: -326.659318
where:
bonds (distance) C4'-P energy: -80.629
bonds (distance) P-C4' energy: -81.154
flat angles C4'-P-C4' energy: -75.071
flat angles P-C4'-P energy: -50.057
tors. eta vs tors. theta energy: -39.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1885.148683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.148683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.148683 (E_RNA)
where:
Base-Base interactions energy: -1326.659
where: short stacking energy: -535.404
Base-Backbone interact. energy: -6.009
local terms energy: -552.480604
where:
bonds (distance) C4'-P energy: -112.627
bonds (distance) P-C4' energy: -101.259
flat angles C4'-P-C4' energy: -109.423
flat angles P-C4'-P energy: -76.991
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: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1849.342049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.342049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.342049 (E_RNA)
where:
Base-Base interactions energy: -1319.166
where: short stacking energy: -511.729
Base-Backbone interact. energy: -0.983
local terms energy: -529.193117
where:
bonds (distance) C4'-P energy: -87.646
bonds (distance) P-C4' energy: -107.170
flat angles C4'-P-C4' energy: -109.930
flat angles P-C4'-P energy: -86.870
tors. eta vs tors. theta energy: -137.577
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: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1713.600687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.600687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.600687 (E_RNA)
where:
Base-Base interactions energy: -1232.752
where: short stacking energy: -486.222
Base-Backbone interact. energy: 0.213
local terms energy: -481.062026
where:
bonds (distance) C4'-P energy: -94.165
bonds (distance) P-C4' energy: -81.680
flat angles C4'-P-C4' energy: -111.693
flat angles P-C4'-P energy: -74.594
tors. eta vs tors. theta energy: -118.931
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: 4, replica: 4
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1725.415533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.415533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.415533 (E_RNA)
where:
Base-Base interactions energy: -1228.557
where: short stacking energy: -510.194
Base-Backbone interact. energy: 3.083
local terms energy: -499.941295
where:
bonds (distance) C4'-P energy: -94.864
bonds (distance) P-C4' energy: -85.092
flat angles C4'-P-C4' energy: -98.348
flat angles P-C4'-P energy: -76.817
tors. eta vs tors. theta energy: -144.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1580.610316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.610316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.610316 (E_RNA)
where:
Base-Base interactions energy: -1090.338
where: short stacking energy: -461.467
Base-Backbone interact. energy: -1.704
local terms energy: -488.568077
where:
bonds (distance) C4'-P energy: -99.970
bonds (distance) P-C4' energy: -89.659
flat angles C4'-P-C4' energy: -105.639
flat angles P-C4'-P energy: -75.999
tors. eta vs tors. theta energy: -117.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1512.619026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.619026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.619026 (E_RNA)
where:
Base-Base interactions energy: -1037.352
where: short stacking energy: -422.657
Base-Backbone interact. energy: 4.065
local terms energy: -479.332013
where:
bonds (distance) C4'-P energy: -97.791
bonds (distance) P-C4' energy: -93.138
flat angles C4'-P-C4' energy: -109.618
flat angles P-C4'-P energy: -68.690
tors. eta vs tors. theta energy: -110.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1365.255962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.255962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.255962 (E_RNA)
where:
Base-Base interactions energy: -930.910
where: short stacking energy: -406.275
Base-Backbone interact. energy: -0.192
local terms energy: -434.153594
where:
bonds (distance) C4'-P energy: -95.405
bonds (distance) P-C4' energy: -91.534
flat angles C4'-P-C4' energy: -81.532
flat angles P-C4'-P energy: -66.411
tors. eta vs tors. theta energy: -99.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -1274.881391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.881391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.881391 (E_RNA)
where:
Base-Base interactions energy: -886.605
where: short stacking energy: -347.631
Base-Backbone interact. energy: 5.032
local terms energy: -393.308420
where:
bonds (distance) C4'-P energy: -77.697
bonds (distance) P-C4' energy: -90.029
flat angles C4'-P-C4' energy: -85.072
flat angles P-C4'-P energy: -64.384
tors. eta vs tors. theta energy: -76.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -1079.122258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.122258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.122258 (E_RNA)
where:
Base-Base interactions energy: -701.358
where: short stacking energy: -301.945
Base-Backbone interact. energy: -1.148
local terms energy: -376.616242
where:
bonds (distance) C4'-P energy: -67.158
bonds (distance) P-C4' energy: -82.110
flat angles C4'-P-C4' energy: -94.595
flat angles P-C4'-P energy: -68.462
tors. eta vs tors. theta energy: -64.291
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: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -929.718799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.718799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.718799 (E_RNA)
where:
Base-Base interactions energy: -615.326
where: short stacking energy: -261.501
Base-Backbone interact. energy: -0.560
local terms energy: -313.832517
where:
bonds (distance) C4'-P energy: -67.967
bonds (distance) P-C4' energy: -93.948
flat angles C4'-P-C4' energy: -75.000
flat angles P-C4'-P energy: -51.920
tors. eta vs tors. theta energy: -24.997
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: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1876.411697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.411697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.411697 (E_RNA)
where:
Base-Base interactions energy: -1347.024
where: short stacking energy: -543.701
Base-Backbone interact. energy: 1.792
local terms energy: -531.179422
where:
bonds (distance) C4'-P energy: -98.142
bonds (distance) P-C4' energy: -93.632
flat angles C4'-P-C4' energy: -116.577
flat angles P-C4'-P energy: -75.941
tors. eta vs tors. theta energy: -146.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1846.330879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.330879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.330879 (E_RNA)
where:
Base-Base interactions energy: -1318.952
where: short stacking energy: -532.065
Base-Backbone interact. energy: -1.411
local terms energy: -525.968504
where:
bonds (distance) C4'-P energy: -87.514
bonds (distance) P-C4' energy: -101.663
flat angles C4'-P-C4' energy: -119.481
flat angles P-C4'-P energy: -73.545
tors. eta vs tors. theta energy: -143.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1756.116031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.116031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.116031 (E_RNA)
where:
Base-Base interactions energy: -1215.938
where: short stacking energy: -521.063
Base-Backbone interact. energy: -1.210
local terms energy: -538.968688
where:
bonds (distance) C4'-P energy: -79.140
bonds (distance) P-C4' energy: -107.031
flat angles C4'-P-C4' energy: -125.852
flat angles P-C4'-P energy: -77.553
tors. eta vs tors. theta energy: -149.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1720.622531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.622531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.622531 (E_RNA)
where:
Base-Base interactions energy: -1202.963
where: short stacking energy: -489.845
Base-Backbone interact. energy: -2.944
local terms energy: -514.715467
where:
bonds (distance) C4'-P energy: -93.744
bonds (distance) P-C4' energy: -85.636
flat angles C4'-P-C4' energy: -115.087
flat angles P-C4'-P energy: -73.723
tors. eta vs tors. theta energy: -146.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1573.627742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.627742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.627742 (E_RNA)
where:
Base-Base interactions energy: -1100.095
where: short stacking energy: -464.969
Base-Backbone interact. energy: -1.376
local terms energy: -472.157115
where:
bonds (distance) C4'-P energy: -97.172
bonds (distance) P-C4' energy: -83.761
flat angles C4'-P-C4' energy: -113.071
flat angles P-C4'-P energy: -60.472
tors. eta vs tors. theta energy: -117.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1451.634382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.634382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.634382 (E_RNA)
where:
Base-Base interactions energy: -1004.126
where: short stacking energy: -414.794
Base-Backbone interact. energy: -0.269
local terms energy: -447.239078
where:
bonds (distance) C4'-P energy: -92.373
bonds (distance) P-C4' energy: -88.646
flat angles C4'-P-C4' energy: -101.684
flat angles P-C4'-P energy: -61.243
tors. eta vs tors. theta energy: -103.294
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: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1338.726268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.726268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.726268 (E_RNA)
where:
Base-Base interactions energy: -898.723
where: short stacking energy: -372.609
Base-Backbone interact. energy: -1.068
local terms energy: -438.935170
where:
bonds (distance) C4'-P energy: -93.019
bonds (distance) P-C4' energy: -101.301
flat angles C4'-P-C4' energy: -93.094
flat angles P-C4'-P energy: -55.971
tors. eta vs tors. theta energy: -95.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -1317.509453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.509453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.509453 (E_RNA)
where:
Base-Base interactions energy: -928.096
where: short stacking energy: -403.557
Base-Backbone interact. energy: 4.512
local terms energy: -393.925649
where:
bonds (distance) C4'-P energy: -81.845
bonds (distance) P-C4' energy: -75.686
flat angles C4'-P-C4' energy: -92.178
flat angles P-C4'-P energy: -61.370
tors. eta vs tors. theta energy: -82.846
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: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -1106.698507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.698507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.698507 (E_RNA)
where:
Base-Base interactions energy: -728.103
where: short stacking energy: -303.335
Base-Backbone interact. energy: -1.668
local terms energy: -376.926749
where:
bonds (distance) C4'-P energy: -89.287
bonds (distance) P-C4' energy: -82.765
flat angles C4'-P-C4' energy: -85.222
flat angles P-C4'-P energy: -64.099
tors. eta vs tors. theta energy: -55.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -914.145027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.145027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.145027 (E_RNA)
where:
Base-Base interactions energy: -591.682
where: short stacking energy: -256.334
Base-Backbone interact. energy: 1.828
local terms energy: -324.290886
where:
bonds (distance) C4'-P energy: -77.706
bonds (distance) P-C4' energy: -81.635
flat angles C4'-P-C4' energy: -82.974
flat angles P-C4'-P energy: -44.398
tors. eta vs tors. theta energy: -37.577
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: 1, replica: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1915.016909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.016909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.016909 (E_RNA)
where:
Base-Base interactions energy: -1351.452
where: short stacking energy: -543.482
Base-Backbone interact. energy: -1.980
local terms energy: -561.584839
where:
bonds (distance) C4'-P energy: -102.457
bonds (distance) P-C4' energy: -112.029
flat angles C4'-P-C4' energy: -121.696
flat angles P-C4'-P energy: -74.402
tors. eta vs tors. theta energy: -151.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1838.802060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.802060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.802060 (E_RNA)
where:
Base-Base interactions energy: -1288.671
where: short stacking energy: -527.728
Base-Backbone interact. energy: -5.085
local terms energy: -545.046126
where:
bonds (distance) C4'-P energy: -91.069
bonds (distance) P-C4' energy: -108.123
flat angles C4'-P-C4' energy: -123.742
flat angles P-C4'-P energy: -74.525
tors. eta vs tors. theta energy: -147.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1766.124207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.124207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.124207 (E_RNA)
where:
Base-Base interactions energy: -1221.294
where: short stacking energy: -522.965
Base-Backbone interact. energy: 0.175
local terms energy: -545.005853
where:
bonds (distance) C4'-P energy: -93.264
bonds (distance) P-C4' energy: -102.916
flat angles C4'-P-C4' energy: -112.502
flat angles P-C4'-P energy: -79.232
tors. eta vs tors. theta energy: -157.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1699.168964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.168964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.168964 (E_RNA)
where:
Base-Base interactions energy: -1183.843
where: short stacking energy: -499.931
Base-Backbone interact. energy: -1.337
local terms energy: -513.989072
where:
bonds (distance) C4'-P energy: -91.762
bonds (distance) P-C4' energy: -105.971
flat angles C4'-P-C4' energy: -107.594
flat angles P-C4'-P energy: -70.704
tors. eta vs tors. theta energy: -137.957
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: 54
Temperature: 1.100000
Total energy: -1604.153745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.153745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.153745 (E_RNA)
where:
Base-Base interactions energy: -1104.929
where: short stacking energy: -452.948
Base-Backbone interact. energy: -4.726
local terms energy: -494.498632
where:
bonds (distance) C4'-P energy: -96.327
bonds (distance) P-C4' energy: -95.516
flat angles C4'-P-C4' energy: -100.894
flat angles P-C4'-P energy: -72.729
tors. eta vs tors. theta energy: -129.033
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: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1474.440271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.440271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.440271 (E_RNA)
where:
Base-Base interactions energy: -1022.296
where: short stacking energy: -430.945
Base-Backbone interact. energy: 3.688
local terms energy: -455.832583
where:
bonds (distance) C4'-P energy: -90.667
bonds (distance) P-C4' energy: -87.515
flat angles C4'-P-C4' energy: -119.018
flat angles P-C4'-P energy: -54.244
tors. eta vs tors. theta energy: -104.388
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: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1415.900516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.900516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.900516 (E_RNA)
where:
Base-Base interactions energy: -948.121
where: short stacking energy: -409.028
Base-Backbone interact. energy: -2.723
local terms energy: -465.056557
where:
bonds (distance) C4'-P energy: -87.743
bonds (distance) P-C4' energy: -104.937
flat angles C4'-P-C4' energy: -105.246
flat angles P-C4'-P energy: -65.866
tors. eta vs tors. theta energy: -101.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -1327.779360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.779360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.779360 (E_RNA)
where:
Base-Base interactions energy: -891.265
where: short stacking energy: -370.475
Base-Backbone interact. energy: -0.940
local terms energy: -435.573608
where:
bonds (distance) C4'-P energy: -87.229
bonds (distance) P-C4' energy: -92.702
flat angles C4'-P-C4' energy: -109.893
flat angles P-C4'-P energy: -55.045
tors. eta vs tors. theta energy: -90.705
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: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -1086.557135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.557135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.557135 (E_RNA)
where:
Base-Base interactions energy: -720.553
where: short stacking energy: -287.808
Base-Backbone interact. energy: -2.043
local terms energy: -363.961209
where:
bonds (distance) C4'-P energy: -88.555
bonds (distance) P-C4' energy: -85.075
flat angles C4'-P-C4' energy: -85.830
flat angles P-C4'-P energy: -53.789
tors. eta vs tors. theta energy: -50.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -874.533453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.533453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.533453 (E_RNA)
where:
Base-Base interactions energy: -546.520
where: short stacking energy: -247.112
Base-Backbone interact. energy: 1.876
local terms energy: -329.889197
where:
bonds (distance) C4'-P energy: -101.310
bonds (distance) P-C4' energy: -77.739
flat angles C4'-P-C4' energy: -77.882
flat angles P-C4'-P energy: -30.568
tors. eta vs tors. theta energy: -42.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1930.605986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.605986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.605986 (E_RNA)
where:
Base-Base interactions energy: -1379.500
where: short stacking energy: -551.654
Base-Backbone interact. energy: -2.050
local terms energy: -549.055790
where:
bonds (distance) C4'-P energy: -93.752
bonds (distance) P-C4' energy: -103.808
flat angles C4'-P-C4' energy: -114.673
flat angles P-C4'-P energy: -81.026
tors. eta vs tors. theta energy: -155.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1797.357590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.357590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.357590 (E_RNA)
where:
Base-Base interactions energy: -1257.886
where: short stacking energy: -521.720
Base-Backbone interact. energy: -0.610
local terms energy: -538.861889
where:
bonds (distance) C4'-P energy: -98.179
bonds (distance) P-C4' energy: -112.005
flat angles C4'-P-C4' energy: -116.988
flat angles P-C4'-P energy: -70.912
tors. eta vs tors. theta energy: -140.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1771.742892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.742892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.742892 (E_RNA)
where:
Base-Base interactions energy: -1250.377
where: short stacking energy: -498.750
Base-Backbone interact. energy: 0.126
local terms energy: -521.491716
where:
bonds (distance) C4'-P energy: -100.371
bonds (distance) P-C4' energy: -97.546
flat angles C4'-P-C4' energy: -103.606
flat angles P-C4'-P energy: -73.882
tors. eta vs tors. theta energy: -146.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1678.431457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.431457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.431457 (E_RNA)
where:
Base-Base interactions energy: -1199.861
where: short stacking energy: -500.151
Base-Backbone interact. energy: -1.285
local terms energy: -477.285814
where:
bonds (distance) C4'-P energy: -79.925
bonds (distance) P-C4' energy: -89.864
flat angles C4'-P-C4' energy: -105.428
flat angles P-C4'-P energy: -67.910
tors. eta vs tors. theta energy: -134.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1582.842598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.842598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.842598 (E_RNA)
where:
Base-Base interactions energy: -1114.950
where: short stacking energy: -484.650
Base-Backbone interact. energy: -0.674
local terms energy: -467.218260
where:
bonds (distance) C4'-P energy: -90.748
bonds (distance) P-C4' energy: -92.457
flat angles C4'-P-C4' energy: -101.615
flat angles P-C4'-P energy: -73.116
tors. eta vs tors. theta energy: -109.282
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: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1472.591563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.591563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.591563 (E_RNA)
where:
Base-Base interactions energy: -993.339
where: short stacking energy: -422.242
Base-Backbone interact. energy: -1.385
local terms energy: -477.867044
where:
bonds (distance) C4'-P energy: -101.491
bonds (distance) P-C4' energy: -94.202
flat angles C4'-P-C4' energy: -98.286
flat angles P-C4'-P energy: -65.191
tors. eta vs tors. theta energy: -118.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1394.518149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.518149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.518149 (E_RNA)
where:
Base-Base interactions energy: -957.921
where: short stacking energy: -404.356
Base-Backbone interact. energy: 4.138
local terms energy: -440.734829
where:
bonds (distance) C4'-P energy: -88.586
bonds (distance) P-C4' energy: -93.469
flat angles C4'-P-C4' energy: -93.638
flat angles P-C4'-P energy: -63.844
tors. eta vs tors. theta energy: -101.197
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: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -1267.936336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.936336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.936336 (E_RNA)
where:
Base-Base interactions energy: -844.966
where: short stacking energy: -346.192
Base-Backbone interact. energy: -0.973
local terms energy: -421.998086
where:
bonds (distance) C4'-P energy: -84.421
bonds (distance) P-C4' energy: -102.423
flat angles C4'-P-C4' energy: -96.034
flat angles P-C4'-P energy: -74.209
tors. eta vs tors. theta energy: -64.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -1049.417663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.417663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.417663 (E_RNA)
where:
Base-Base interactions energy: -702.633
where: short stacking energy: -283.611
Base-Backbone interact. energy: -2.140
local terms energy: -344.644571
where:
bonds (distance) C4'-P energy: -82.173
bonds (distance) P-C4' energy: -72.088
flat angles C4'-P-C4' energy: -79.244
flat angles P-C4'-P energy: -53.322
tors. eta vs tors. theta energy: -57.818
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: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -848.036545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.036545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.036545 (E_RNA)
where:
Base-Base interactions energy: -542.892
where: short stacking energy: -240.277
Base-Backbone interact. energy: 2.596
local terms energy: -307.740875
where:
bonds (distance) C4'-P energy: -72.865
bonds (distance) P-C4' energy: -77.932
flat angles C4'-P-C4' energy: -71.033
flat angles P-C4'-P energy: -61.466
tors. eta vs tors. theta energy: -24.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1909.653237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.653237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.653237 (E_RNA)
where:
Base-Base interactions energy: -1349.324
where: short stacking energy: -562.873
Base-Backbone interact. energy: -0.444
local terms energy: -559.885097
where:
bonds (distance) C4'-P energy: -96.157
bonds (distance) P-C4' energy: -102.226
flat angles C4'-P-C4' energy: -124.558
flat angles P-C4'-P energy: -86.953
tors. eta vs tors. theta energy: -149.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1815.167921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.167921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.167921 (E_RNA)
where:
Base-Base interactions energy: -1265.635
where: short stacking energy: -541.504
Base-Backbone interact. energy: -1.056
local terms energy: -548.477070
where:
bonds (distance) C4'-P energy: -103.556
bonds (distance) P-C4' energy: -105.954
flat angles C4'-P-C4' energy: -106.839
flat angles P-C4'-P energy: -85.515
tors. eta vs tors. theta energy: -146.613
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: 56
Temperature: 1.000000
Total energy: -1769.167464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.167464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.167464 (E_RNA)
where:
Base-Base interactions energy: -1264.203
where: short stacking energy: -492.989
Base-Backbone interact. energy: -3.050
local terms energy: -501.914518
where:
bonds (distance) C4'-P energy: -98.367
bonds (distance) P-C4' energy: -86.198
flat angles C4'-P-C4' energy: -114.127
flat angles P-C4'-P energy: -76.813
tors. eta vs tors. theta energy: -126.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1682.331873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.331873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.331873 (E_RNA)
where:
Base-Base interactions energy: -1178.850
where: short stacking energy: -474.512
Base-Backbone interact. energy: -0.841
local terms energy: -502.641373
where:
bonds (distance) C4'-P energy: -82.965
bonds (distance) P-C4' energy: -94.684
flat angles C4'-P-C4' energy: -110.026
flat angles P-C4'-P energy: -73.365
tors. eta vs tors. theta energy: -141.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1556.327212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.327212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.327212 (E_RNA)
where:
Base-Base interactions energy: -1061.628
where: short stacking energy: -457.949
Base-Backbone interact. energy: -0.981
local terms energy: -493.718182
where:
bonds (distance) C4'-P energy: -88.059
bonds (distance) P-C4' energy: -107.921
flat angles C4'-P-C4' energy: -112.898
flat angles P-C4'-P energy: -65.654
tors. eta vs tors. theta energy: -119.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1496.378844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.378844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.378844 (E_RNA)
where:
Base-Base interactions energy: -1039.409
where: short stacking energy: -425.732
Base-Backbone interact. energy: 0.314
local terms energy: -457.283101
where:
bonds (distance) C4'-P energy: -81.704
bonds (distance) P-C4' energy: -93.111
flat angles C4'-P-C4' energy: -114.586
flat angles P-C4'-P energy: -66.518
tors. eta vs tors. theta energy: -101.364
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: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1404.292347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.292347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.292347 (E_RNA)
where:
Base-Base interactions energy: -942.344
where: short stacking energy: -431.724
Base-Backbone interact. energy: -3.256
local terms energy: -458.692830
where:
bonds (distance) C4'-P energy: -97.628
bonds (distance) P-C4' energy: -90.857
flat angles C4'-P-C4' energy: -99.822
flat angles P-C4'-P energy: -61.833
tors. eta vs tors. theta energy: -108.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -1240.821455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.821455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.821455 (E_RNA)
where:
Base-Base interactions energy: -839.883
where: short stacking energy: -333.500
Base-Backbone interact. energy: -0.214
local terms energy: -400.725387
where:
bonds (distance) C4'-P energy: -74.829
bonds (distance) P-C4' energy: -91.680
flat angles C4'-P-C4' energy: -96.743
flat angles P-C4'-P energy: -66.451
tors. eta vs tors. theta energy: -71.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -1077.147381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.147381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.147381 (E_RNA)
where:
Base-Base interactions energy: -725.404
where: short stacking energy: -299.726
Base-Backbone interact. energy: 4.853
local terms energy: -356.596183
where:
bonds (distance) C4'-P energy: -90.688
bonds (distance) P-C4' energy: -89.129
flat angles C4'-P-C4' energy: -85.932
flat angles P-C4'-P energy: -32.411
tors. eta vs tors. theta energy: -58.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -775.653275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.653275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.653275 (E_RNA)
where:
Base-Base interactions energy: -474.641
where: short stacking energy: -205.524
Base-Backbone interact. energy: -0.224
local terms energy: -300.788271
where:
bonds (distance) C4'-P energy: -81.956
bonds (distance) P-C4' energy: -89.991
flat angles C4'-P-C4' energy: -79.814
flat angles P-C4'-P energy: -30.219
tors. eta vs tors. theta energy: -18.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1887.980818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.980818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.980818 (E_RNA)
where:
Base-Base interactions energy: -1329.983
where: short stacking energy: -541.675
Base-Backbone interact. energy: -2.901
local terms energy: -555.096716
where:
bonds (distance) C4'-P energy: -99.766
bonds (distance) P-C4' energy: -102.606
flat angles C4'-P-C4' energy: -117.720
flat angles P-C4'-P energy: -83.688
tors. eta vs tors. theta energy: -151.317
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: 57
Temperature: 0.950000
Total energy: -1820.801088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.801088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.801088 (E_RNA)
where:
Base-Base interactions energy: -1283.411
where: short stacking energy: -518.974
Base-Backbone interact. energy: -4.623
local terms energy: -532.766634
where:
bonds (distance) C4'-P energy: -97.592
bonds (distance) P-C4' energy: -104.111
flat angles C4'-P-C4' energy: -109.290
flat angles P-C4'-P energy: -77.018
tors. eta vs tors. theta energy: -144.757
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: 57
Temperature: 1.000000
Total energy: -1765.142826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.142826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.142826 (E_RNA)
where:
Base-Base interactions energy: -1228.006
where: short stacking energy: -501.459
Base-Backbone interact. energy: -1.714
local terms energy: -535.422814
where:
bonds (distance) C4'-P energy: -105.949
bonds (distance) P-C4' energy: -104.934
flat angles C4'-P-C4' energy: -114.158
flat angles P-C4'-P energy: -76.053
tors. eta vs tors. theta energy: -134.329
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: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1637.019695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.019695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.019695 (E_RNA)
where:
Base-Base interactions energy: -1151.860
where: short stacking energy: -476.006
Base-Backbone interact. energy: -0.736
local terms energy: -484.423405
where:
bonds (distance) C4'-P energy: -88.366
bonds (distance) P-C4' energy: -92.103
flat angles C4'-P-C4' energy: -108.644
flat angles P-C4'-P energy: -69.726
tors. eta vs tors. theta energy: -125.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1547.847639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.847639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.847639 (E_RNA)
where:
Base-Base interactions energy: -1092.374
where: short stacking energy: -429.111
Base-Backbone interact. energy: -2.724
local terms energy: -452.749990
where:
bonds (distance) C4'-P energy: -89.038
bonds (distance) P-C4' energy: -102.753
flat angles C4'-P-C4' energy: -115.437
flat angles P-C4'-P energy: -48.112
tors. eta vs tors. theta energy: -97.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1493.658462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.658462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.658462 (E_RNA)
where:
Base-Base interactions energy: -1043.414
where: short stacking energy: -432.995
Base-Backbone interact. energy: 3.401
local terms energy: -453.645411
where:
bonds (distance) C4'-P energy: -87.346
bonds (distance) P-C4' energy: -72.480
flat angles C4'-P-C4' energy: -120.247
flat angles P-C4'-P energy: -63.178
tors. eta vs tors. theta energy: -110.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1397.195086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.195086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.195086 (E_RNA)
where:
Base-Base interactions energy: -939.747
where: short stacking energy: -381.778
Base-Backbone interact. energy: -2.826
local terms energy: -454.622137
where:
bonds (distance) C4'-P energy: -103.750
bonds (distance) P-C4' energy: -89.388
flat angles C4'-P-C4' energy: -104.621
flat angles P-C4'-P energy: -66.982
tors. eta vs tors. theta energy: -89.881
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: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -1165.215298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.215298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.215298 (E_RNA)
where:
Base-Base interactions energy: -780.994
where: short stacking energy: -325.207
Base-Backbone interact. energy: -4.583
local terms energy: -379.638124
where:
bonds (distance) C4'-P energy: -78.310
bonds (distance) P-C4' energy: -83.661
flat angles C4'-P-C4' energy: -77.359
flat angles P-C4'-P energy: -62.315
tors. eta vs tors. theta energy: -77.994
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: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -1168.602386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.602386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.602386 (E_RNA)
where:
Base-Base interactions energy: -807.117
where: short stacking energy: -358.581
Base-Backbone interact. energy: -1.991
local terms energy: -359.494618
where:
bonds (distance) C4'-P energy: -80.066
bonds (distance) P-C4' energy: -84.313
flat angles C4'-P-C4' energy: -76.630
flat angles P-C4'-P energy: -58.416
tors. eta vs tors. theta energy: -60.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -766.412267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.412267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.412267 (E_RNA)
where:
Base-Base interactions energy: -475.976
where: short stacking energy: -244.816
Base-Backbone interact. energy: 2.182
local terms energy: -292.617641
where:
bonds (distance) C4'-P energy: -58.604
bonds (distance) P-C4' energy: -82.650
flat angles C4'-P-C4' energy: -76.042
flat angles P-C4'-P energy: -65.144
tors. eta vs tors. theta energy: -10.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1900.681224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.681224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.681224 (E_RNA)
where:
Base-Base interactions energy: -1357.473
where: short stacking energy: -549.749
Base-Backbone interact. energy: -2.559
local terms energy: -540.648879
where:
bonds (distance) C4'-P energy: -96.895
bonds (distance) P-C4' energy: -108.871
flat angles C4'-P-C4' energy: -118.195
flat angles P-C4'-P energy: -66.458
tors. eta vs tors. theta energy: -150.230
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: 58
Temperature: 0.950000
Total energy: -1821.547763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.547763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.547763 (E_RNA)
where:
Base-Base interactions energy: -1265.457
where: short stacking energy: -512.870
Base-Backbone interact. energy: -2.507
local terms energy: -553.583335
where:
bonds (distance) C4'-P energy: -96.547
bonds (distance) P-C4' energy: -107.987
flat angles C4'-P-C4' energy: -114.328
flat angles P-C4'-P energy: -87.124
tors. eta vs tors. theta energy: -147.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1734.692081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.692081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.692081 (E_RNA)
where:
Base-Base interactions energy: -1211.016
where: short stacking energy: -503.597
Base-Backbone interact. energy: 4.932
local terms energy: -528.608464
where:
bonds (distance) C4'-P energy: -91.925
bonds (distance) P-C4' energy: -104.937
flat angles C4'-P-C4' energy: -115.209
flat angles P-C4'-P energy: -79.531
tors. eta vs tors. theta energy: -137.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1663.562086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.562086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.562086 (E_RNA)
where:
Base-Base interactions energy: -1175.032
where: short stacking energy: -493.456
Base-Backbone interact. energy: -2.311
local terms energy: -486.219200
where:
bonds (distance) C4'-P energy: -80.265
bonds (distance) P-C4' energy: -86.930
flat angles C4'-P-C4' energy: -113.058
flat angles P-C4'-P energy: -72.726
tors. eta vs tors. theta energy: -133.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1571.147283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.147283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.147283 (E_RNA)
where:
Base-Base interactions energy: -1070.010
where: short stacking energy: -443.705
Base-Backbone interact. energy: -2.443
local terms energy: -498.694034
where:
bonds (distance) C4'-P energy: -100.736
bonds (distance) P-C4' energy: -91.669
flat angles C4'-P-C4' energy: -114.417
flat angles P-C4'-P energy: -74.484
tors. eta vs tors. theta energy: -117.388
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: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1466.882499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.882499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.882499 (E_RNA)
where:
Base-Base interactions energy: -1027.440
where: short stacking energy: -425.207
Base-Backbone interact. energy: 0.670
local terms energy: -440.112691
where:
bonds (distance) C4'-P energy: -78.640
bonds (distance) P-C4' energy: -85.019
flat angles C4'-P-C4' energy: -103.948
flat angles P-C4'-P energy: -66.754
tors. eta vs tors. theta energy: -105.752
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: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1385.392354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.392354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.392354 (E_RNA)
where:
Base-Base interactions energy: -957.809
where: short stacking energy: -393.631
Base-Backbone interact. energy: -1.944
local terms energy: -425.638816
where:
bonds (distance) C4'-P energy: -87.609
bonds (distance) P-C4' energy: -95.518
flat angles C4'-P-C4' energy: -81.941
flat angles P-C4'-P energy: -72.304
tors. eta vs tors. theta energy: -88.266
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: 10
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -1219.643981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.643981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.643981 (E_RNA)
where:
Base-Base interactions energy: -801.078
where: short stacking energy: -353.315
Base-Backbone interact. energy: -2.044
local terms energy: -416.521520
where:
bonds (distance) C4'-P energy: -75.376
bonds (distance) P-C4' energy: -74.922
flat angles C4'-P-C4' energy: -103.733
flat angles P-C4'-P energy: -74.285
tors. eta vs tors. theta energy: -88.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -1153.966657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.966657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.966657 (E_RNA)
where:
Base-Base interactions energy: -792.977
where: short stacking energy: -331.426
Base-Backbone interact. energy: 0.419
local terms energy: -361.408904
where:
bonds (distance) C4'-P energy: -73.928
bonds (distance) P-C4' energy: -83.844
flat angles C4'-P-C4' energy: -74.851
flat angles P-C4'-P energy: -57.281
tors. eta vs tors. theta energy: -71.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -794.063678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.063678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.063678 (E_RNA)
where:
Base-Base interactions energy: -466.844
where: short stacking energy: -209.650
Base-Backbone interact. energy: 0.965
local terms energy: -328.185247
where:
bonds (distance) C4'-P energy: -99.989
bonds (distance) P-C4' energy: -91.499
flat angles C4'-P-C4' energy: -83.174
flat angles P-C4'-P energy: -48.266
tors. eta vs tors. theta energy: -5.258
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: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1917.242429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.242429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.242429 (E_RNA)
where:
Base-Base interactions energy: -1364.611
where: short stacking energy: -556.016
Base-Backbone interact. energy: -2.754
local terms energy: -549.878141
where:
bonds (distance) C4'-P energy: -101.264
bonds (distance) P-C4' energy: -104.095
flat angles C4'-P-C4' energy: -124.658
flat angles P-C4'-P energy: -70.106
tors. eta vs tors. theta energy: -149.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1866.752828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.752828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.752828 (E_RNA)
where:
Base-Base interactions energy: -1312.766
where: short stacking energy: -542.069
Base-Backbone interact. energy: -1.819
local terms energy: -552.166855
where:
bonds (distance) C4'-P energy: -90.207
bonds (distance) P-C4' energy: -105.640
flat angles C4'-P-C4' energy: -121.277
flat angles P-C4'-P energy: -86.540
tors. eta vs tors. theta energy: -148.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1743.338111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.338111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.338111 (E_RNA)
where:
Base-Base interactions energy: -1227.468
where: short stacking energy: -521.419
Base-Backbone interact. energy: -3.954
local terms energy: -511.915990
where:
bonds (distance) C4'-P energy: -89.731
bonds (distance) P-C4' energy: -102.353
flat angles C4'-P-C4' energy: -112.116
flat angles P-C4'-P energy: -71.372
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: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1693.698637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.698637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.698637 (E_RNA)
where:
Base-Base interactions energy: -1187.573
where: short stacking energy: -495.591
Base-Backbone interact. energy: -1.913
local terms energy: -504.212590
where:
bonds (distance) C4'-P energy: -84.506
bonds (distance) P-C4' energy: -109.485
flat angles C4'-P-C4' energy: -112.475
flat angles P-C4'-P energy: -68.565
tors. eta vs tors. theta energy: -129.182
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: 3
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1579.479139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.479139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.479139 (E_RNA)
where:
Base-Base interactions energy: -1107.035
where: short stacking energy: -455.636
Base-Backbone interact. energy: -4.092
local terms energy: -468.352519
where:
bonds (distance) C4'-P energy: -78.597
bonds (distance) P-C4' energy: -96.454
flat angles C4'-P-C4' energy: -107.880
flat angles P-C4'-P energy: -68.631
tors. eta vs tors. theta energy: -116.791
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: 8
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1493.785526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.785526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.785526 (E_RNA)
where:
Base-Base interactions energy: -1038.695
where: short stacking energy: -441.656
Base-Backbone interact. energy: 1.702
local terms energy: -456.792171
where:
bonds (distance) C4'-P energy: -83.334
bonds (distance) P-C4' energy: -80.029
flat angles C4'-P-C4' energy: -111.709
flat angles P-C4'-P energy: -66.617
tors. eta vs tors. theta energy: -115.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1437.816918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.816918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.816918 (E_RNA)
where:
Base-Base interactions energy: -986.802
where: short stacking energy: -436.413
Base-Backbone interact. energy: 2.654
local terms energy: -453.668352
where:
bonds (distance) C4'-P energy: -90.164
bonds (distance) P-C4' energy: -95.540
flat angles C4'-P-C4' energy: -103.865
flat angles P-C4'-P energy: -57.229
tors. eta vs tors. theta energy: -106.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1245.435590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.435590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.435590 (E_RNA)
where:
Base-Base interactions energy: -857.099
where: short stacking energy: -368.007
Base-Backbone interact. energy: 4.384
local terms energy: -392.720166
where:
bonds (distance) C4'-P energy: -83.529
bonds (distance) P-C4' energy: -96.394
flat angles C4'-P-C4' energy: -95.588
flat angles P-C4'-P energy: -48.132
tors. eta vs tors. theta energy: -69.077
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: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -1206.694378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.694378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.694378 (E_RNA)
where:
Base-Base interactions energy: -798.097
where: short stacking energy: -350.357
Base-Backbone interact. energy: -0.695
local terms energy: -407.902402
where:
bonds (distance) C4'-P energy: -87.390
bonds (distance) P-C4' energy: -83.420
flat angles C4'-P-C4' energy: -99.069
flat angles P-C4'-P energy: -50.553
tors. eta vs tors. theta energy: -87.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -790.703127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.703127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.703127 (E_RNA)
where:
Base-Base interactions energy: -489.456
where: short stacking energy: -239.410
Base-Backbone interact. energy: 3.546
local terms energy: -304.793359
where:
bonds (distance) C4'-P energy: -69.998
bonds (distance) P-C4' energy: -82.375
flat angles C4'-P-C4' energy: -68.101
flat angles P-C4'-P energy: -51.054
tors. eta vs tors. theta energy: -33.266
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: 60
Temperature: 0.900000
Total energy: -1878.240912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.240912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.240912 (E_RNA)
where:
Base-Base interactions energy: -1324.616
where: short stacking energy: -561.654
Base-Backbone interact. energy: -2.135
local terms energy: -551.489433
where:
bonds (distance) C4'-P energy: -100.399
bonds (distance) P-C4' energy: -100.782
flat angles C4'-P-C4' energy: -121.549
flat angles P-C4'-P energy: -76.335
tors. eta vs tors. theta energy: -152.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1816.639181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.639181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.639181 (E_RNA)
where:
Base-Base interactions energy: -1284.979
where: short stacking energy: -524.313
Base-Backbone interact. energy: 0.479
local terms energy: -532.139081
where:
bonds (distance) C4'-P energy: -98.481
bonds (distance) P-C4' energy: -107.878
flat angles C4'-P-C4' energy: -114.075
flat angles P-C4'-P energy: -70.697
tors. eta vs tors. theta energy: -141.008
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: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1750.935575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.935575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.935575 (E_RNA)
where:
Base-Base interactions energy: -1229.615
where: short stacking energy: -520.451
Base-Backbone interact. energy: -1.019
local terms energy: -520.301392
where:
bonds (distance) C4'-P energy: -87.341
bonds (distance) P-C4' energy: -97.728
flat angles C4'-P-C4' energy: -110.286
flat angles P-C4'-P energy: -78.340
tors. eta vs tors. theta energy: -146.606
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: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1660.504670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.504670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.504670 (E_RNA)
where:
Base-Base interactions energy: -1152.130
where: short stacking energy: -486.093
Base-Backbone interact. energy: -2.334
local terms energy: -506.041300
where:
bonds (distance) C4'-P energy: -95.259
bonds (distance) P-C4' energy: -97.493
flat angles C4'-P-C4' energy: -117.318
flat angles P-C4'-P energy: -66.992
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: 5, replica: 3
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1589.372594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.372594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.372594 (E_RNA)
where:
Base-Base interactions energy: -1107.036
where: short stacking energy: -476.133
Base-Backbone interact. energy: -0.889
local terms energy: -481.446882
where:
bonds (distance) C4'-P energy: -92.597
bonds (distance) P-C4' energy: -101.881
flat angles C4'-P-C4' energy: -92.063
flat angles P-C4'-P energy: -63.945
tors. eta vs tors. theta energy: -130.961
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: 8
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1492.062177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.062177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.062177 (E_RNA)
where:
Base-Base interactions energy: -997.994
where: short stacking energy: -413.417
Base-Backbone interact. energy: 0.671
local terms energy: -494.739303
where:
bonds (distance) C4'-P energy: -90.654
bonds (distance) P-C4' energy: -105.271
flat angles C4'-P-C4' energy: -114.480
flat angles P-C4'-P energy: -71.366
tors. eta vs tors. theta energy: -112.968
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: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1429.987225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.987225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.987225 (E_RNA)
where:
Base-Base interactions energy: -967.903
where: short stacking energy: -409.048
Base-Backbone interact. energy: -4.378
local terms energy: -457.706153
where:
bonds (distance) C4'-P energy: -71.724
bonds (distance) P-C4' energy: -99.780
flat angles C4'-P-C4' energy: -108.568
flat angles P-C4'-P energy: -66.014
tors. eta vs tors. theta energy: -111.621
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: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -1188.792244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.792244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.792244 (E_RNA)
where:
Base-Base interactions energy: -781.414
where: short stacking energy: -340.236
Base-Backbone interact. energy: -3.594
local terms energy: -403.784186
where:
bonds (distance) C4'-P energy: -83.533
bonds (distance) P-C4' energy: -100.946
flat angles C4'-P-C4' energy: -83.308
flat angles P-C4'-P energy: -71.017
tors. eta vs tors. theta energy: -64.981
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: 7
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -1213.934459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.934459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.934459 (E_RNA)
where:
Base-Base interactions energy: -844.684
where: short stacking energy: -356.138
Base-Backbone interact. energy: 2.202
local terms energy: -371.452073
where:
bonds (distance) C4'-P energy: -88.750
bonds (distance) P-C4' energy: -79.776
flat angles C4'-P-C4' energy: -89.736
flat angles P-C4'-P energy: -34.602
tors. eta vs tors. theta energy: -78.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -797.020506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.020506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.020506 (E_RNA)
where:
Base-Base interactions energy: -483.318
where: short stacking energy: -251.216
Base-Backbone interact. energy: -5.513
local terms energy: -308.190310
where:
bonds (distance) C4'-P energy: -74.619
bonds (distance) P-C4' energy: -93.238
flat angles C4'-P-C4' energy: -79.102
flat angles P-C4'-P energy: -26.025
tors. eta vs tors. theta energy: -35.206
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: 61
Temperature: 0.900000
Total energy: -1909.759541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.759541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.759541 (E_RNA)
where:
Base-Base interactions energy: -1332.120
where: short stacking energy: -527.433
Base-Backbone interact. energy: -2.239
local terms energy: -575.400609
where:
bonds (distance) C4'-P energy: -109.168
bonds (distance) P-C4' energy: -108.542
flat angles C4'-P-C4' energy: -121.591
flat angles P-C4'-P energy: -81.564
tors. eta vs tors. theta energy: -154.536
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: 61
Temperature: 0.950000
Total energy: -1827.273836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.273836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.273836 (E_RNA)
where:
Base-Base interactions energy: -1306.381
where: short stacking energy: -505.650
Base-Backbone interact. energy: -3.562
local terms energy: -517.330932
where:
bonds (distance) C4'-P energy: -101.268
bonds (distance) P-C4' energy: -95.636
flat angles C4'-P-C4' energy: -115.725
flat angles P-C4'-P energy: -82.177
tors. eta vs tors. theta energy: -122.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1760.483691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.483691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.483691 (E_RNA)
where:
Base-Base interactions energy: -1197.274
where: short stacking energy: -504.276
Base-Backbone interact. energy: 0.633
local terms energy: -563.843148
where:
bonds (distance) C4'-P energy: -101.714
bonds (distance) P-C4' energy: -106.555
flat angles C4'-P-C4' energy: -119.859
flat angles P-C4'-P energy: -87.273
tors. eta vs tors. theta energy: -148.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1702.443180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.443180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.443180 (E_RNA)
where:
Base-Base interactions energy: -1171.206
where: short stacking energy: -493.830
Base-Backbone interact. energy: -1.736
local terms energy: -529.501678
where:
bonds (distance) C4'-P energy: -101.017
bonds (distance) P-C4' energy: -106.538
flat angles C4'-P-C4' energy: -110.204
flat angles P-C4'-P energy: -76.114
tors. eta vs tors. theta energy: -135.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1596.402065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.402065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.402065 (E_RNA)
where:
Base-Base interactions energy: -1093.382
where: short stacking energy: -456.626
Base-Backbone interact. energy: 1.353
local terms energy: -504.372753
where:
bonds (distance) C4'-P energy: -93.128
bonds (distance) P-C4' energy: -103.785
flat angles C4'-P-C4' energy: -119.449
flat angles P-C4'-P energy: -60.443
tors. eta vs tors. theta energy: -127.567
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: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1444.577044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.577044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.577044 (E_RNA)
where:
Base-Base interactions energy: -982.476
where: short stacking energy: -415.354
Base-Backbone interact. energy: -2.648
local terms energy: -459.453082
where:
bonds (distance) C4'-P energy: -93.933
bonds (distance) P-C4' energy: -104.312
flat angles C4'-P-C4' energy: -104.919
flat angles P-C4'-P energy: -48.462
tors. eta vs tors. theta energy: -107.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1440.392324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.392324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.392324 (E_RNA)
where:
Base-Base interactions energy: -1026.048
where: short stacking energy: -427.371
Base-Backbone interact. energy: 0.087
local terms energy: -414.431808
where:
bonds (distance) C4'-P energy: -78.269
bonds (distance) P-C4' energy: -111.231
flat angles C4'-P-C4' energy: -80.319
flat angles P-C4'-P energy: -48.580
tors. eta vs tors. theta energy: -96.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -1218.953102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.953102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.953102 (E_RNA)
where:
Base-Base interactions energy: -832.355
where: short stacking energy: -339.843
Base-Backbone interact. energy: 7.763
local terms energy: -394.361470
where:
bonds (distance) C4'-P energy: -93.570
bonds (distance) P-C4' energy: -77.052
flat angles C4'-P-C4' energy: -94.264
flat angles P-C4'-P energy: -60.053
tors. eta vs tors. theta energy: -69.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -1140.751411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.751411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.751411 (E_RNA)
where:
Base-Base interactions energy: -787.456
where: short stacking energy: -299.144
Base-Backbone interact. energy: -1.233
local terms energy: -352.061873
where:
bonds (distance) C4'-P energy: -72.199
bonds (distance) P-C4' energy: -76.957
flat angles C4'-P-C4' energy: -90.950
flat angles P-C4'-P energy: -43.935
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: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -789.633126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.633126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.633126 (E_RNA)
where:
Base-Base interactions energy: -439.006
where: short stacking energy: -205.142
Base-Backbone interact. energy: 2.993
local terms energy: -353.620687
where:
bonds (distance) C4'-P energy: -78.403
bonds (distance) P-C4' energy: -96.739
flat angles C4'-P-C4' energy: -89.767
flat angles P-C4'-P energy: -65.587
tors. eta vs tors. theta energy: -23.125
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: 62
Temperature: 0.900000
Total energy: -1903.045140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.045140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.045140 (E_RNA)
where:
Base-Base interactions energy: -1347.816
where: short stacking energy: -530.806
Base-Backbone interact. energy: 0.601
local terms energy: -555.829577
where:
bonds (distance) C4'-P energy: -95.521
bonds (distance) P-C4' energy: -111.511
flat angles C4'-P-C4' energy: -123.985
flat angles P-C4'-P energy: -77.187
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: 62
Temperature: 0.950000
Total energy: -1823.896898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.896898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.896898 (E_RNA)
where:
Base-Base interactions energy: -1280.338
where: short stacking energy: -516.165
Base-Backbone interact. energy: -0.250
local terms energy: -543.309335
where:
bonds (distance) C4'-P energy: -101.130
bonds (distance) P-C4' energy: -92.764
flat angles C4'-P-C4' energy: -117.489
flat angles P-C4'-P energy: -83.830
tors. eta vs tors. theta energy: -148.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1794.561773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.561773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.561773 (E_RNA)
where:
Base-Base interactions energy: -1270.254
where: short stacking energy: -531.736
Base-Backbone interact. energy: -1.475
local terms energy: -522.832924
where:
bonds (distance) C4'-P energy: -99.745
bonds (distance) P-C4' energy: -101.596
flat angles C4'-P-C4' energy: -100.219
flat angles P-C4'-P energy: -70.753
tors. eta vs tors. theta energy: -150.520
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: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1680.075150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.075150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.075150 (E_RNA)
where:
Base-Base interactions energy: -1182.333
where: short stacking energy: -471.966
Base-Backbone interact. energy: -4.803
local terms energy: -492.939169
where:
bonds (distance) C4'-P energy: -98.067
bonds (distance) P-C4' energy: -92.377
flat angles C4'-P-C4' energy: -109.854
flat angles P-C4'-P energy: -68.155
tors. eta vs tors. theta energy: -124.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1577.342511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.342511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.342511 (E_RNA)
where:
Base-Base interactions energy: -1084.909
where: short stacking energy: -428.111
Base-Backbone interact. energy: -0.920
local terms energy: -491.514048
where:
bonds (distance) C4'-P energy: -84.083
bonds (distance) P-C4' energy: -106.755
flat angles C4'-P-C4' energy: -113.132
flat angles P-C4'-P energy: -71.459
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: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1449.537304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.537304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.537304 (E_RNA)
where:
Base-Base interactions energy: -1002.508
where: short stacking energy: -417.905
Base-Backbone interact. energy: -1.592
local terms energy: -445.437008
where:
bonds (distance) C4'-P energy: -83.483
bonds (distance) P-C4' energy: -84.846
flat angles C4'-P-C4' energy: -99.672
flat angles P-C4'-P energy: -71.870
tors. eta vs tors. theta energy: -105.567
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: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1433.122206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.122206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.122206 (E_RNA)
where:
Base-Base interactions energy: -1008.678
where: short stacking energy: -416.980
Base-Backbone interact. energy: -1.720
local terms energy: -422.723920
where:
bonds (distance) C4'-P energy: -84.314
bonds (distance) P-C4' energy: -80.923
flat angles C4'-P-C4' energy: -98.718
flat angles P-C4'-P energy: -65.825
tors. eta vs tors. theta energy: -92.944
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: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -1201.216446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.216446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.216446 (E_RNA)
where:
Base-Base interactions energy: -801.083
where: short stacking energy: -348.531
Base-Backbone interact. energy: -1.043
local terms energy: -399.090653
where:
bonds (distance) C4'-P energy: -86.628
bonds (distance) P-C4' energy: -104.131
flat angles C4'-P-C4' energy: -75.584
flat angles P-C4'-P energy: -48.593
tors. eta vs tors. theta energy: -84.155
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: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -1155.427972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.427972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.427972 (E_RNA)
where:
Base-Base interactions energy: -773.066
where: short stacking energy: -329.946
Base-Backbone interact. energy: 1.067
local terms energy: -383.428571
where:
bonds (distance) C4'-P energy: -76.015
bonds (distance) P-C4' energy: -90.383
flat angles C4'-P-C4' energy: -94.733
flat angles P-C4'-P energy: -48.526
tors. eta vs tors. theta energy: -73.770
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: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -756.436072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.436072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.436072 (E_RNA)
where:
Base-Base interactions energy: -462.411
where: short stacking energy: -211.856
Base-Backbone interact. energy: -0.179
local terms energy: -293.846352
where:
bonds (distance) C4'-P energy: -76.575
bonds (distance) P-C4' energy: -81.089
flat angles C4'-P-C4' energy: -75.103
flat angles P-C4'-P energy: -53.696
tors. eta vs tors. theta energy: -7.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1904.115995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.115995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.115995 (E_RNA)
where:
Base-Base interactions energy: -1362.570
where: short stacking energy: -553.376
Base-Backbone interact. energy: -2.729
local terms energy: -538.816720
where:
bonds (distance) C4'-P energy: -95.654
bonds (distance) P-C4' energy: -98.271
flat angles C4'-P-C4' energy: -121.327
flat angles P-C4'-P energy: -70.713
tors. eta vs tors. theta energy: -152.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1841.055135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.055135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.055135 (E_RNA)
where:
Base-Base interactions energy: -1310.573
where: short stacking energy: -518.467
Base-Backbone interact. energy: 0.160
local terms energy: -530.642040
where:
bonds (distance) C4'-P energy: -83.873
bonds (distance) P-C4' energy: -94.759
flat angles C4'-P-C4' energy: -123.932
flat angles P-C4'-P energy: -78.177
tors. eta vs tors. theta energy: -149.902
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: 63
Temperature: 1.000000
Total energy: -1776.352109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.352109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.352109 (E_RNA)
where:
Base-Base interactions energy: -1257.094
where: short stacking energy: -517.922
Base-Backbone interact. energy: -3.654
local terms energy: -515.603592
where:
bonds (distance) C4'-P energy: -94.808
bonds (distance) P-C4' energy: -94.061
flat angles C4'-P-C4' energy: -98.917
flat angles P-C4'-P energy: -78.019
tors. eta vs tors. theta energy: -149.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1668.669226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.669226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.669226 (E_RNA)
where:
Base-Base interactions energy: -1170.967
where: short stacking energy: -478.999
Base-Backbone interact. energy: 2.953
local terms energy: -500.655086
where:
bonds (distance) C4'-P energy: -95.674
bonds (distance) P-C4' energy: -78.291
flat angles C4'-P-C4' energy: -107.700
flat angles P-C4'-P energy: -78.739
tors. eta vs tors. theta energy: -140.251
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: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1604.093073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.093073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.093073 (E_RNA)
where:
Base-Base interactions energy: -1149.873
where: short stacking energy: -453.573
Base-Backbone interact. energy: -4.188
local terms energy: -450.031278
where:
bonds (distance) C4'-P energy: -90.519
bonds (distance) P-C4' energy: -78.823
flat angles C4'-P-C4' energy: -90.134
flat angles P-C4'-P energy: -66.778
tors. eta vs tors. theta energy: -123.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1475.356196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.356196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.356196 (E_RNA)
where:
Base-Base interactions energy: -1009.816
where: short stacking energy: -436.173
Base-Backbone interact. energy: -1.115
local terms energy: -464.425234
where:
bonds (distance) C4'-P energy: -92.093
bonds (distance) P-C4' energy: -87.373
flat angles C4'-P-C4' energy: -115.356
flat angles P-C4'-P energy: -63.770
tors. eta vs tors. theta energy: -105.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1476.779178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.779178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.779178 (E_RNA)
where:
Base-Base interactions energy: -1015.533
where: short stacking energy: -430.569
Base-Backbone interact. energy: -1.080
local terms energy: -460.166383
where:
bonds (distance) C4'-P energy: -77.958
bonds (distance) P-C4' energy: -78.327
flat angles C4'-P-C4' energy: -112.419
flat angles P-C4'-P energy: -78.142
tors. eta vs tors. theta energy: -113.320
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: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -1228.130435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.130435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.130435 (E_RNA)
where:
Base-Base interactions energy: -825.277
where: short stacking energy: -351.598
Base-Backbone interact. energy: -2.439
local terms energy: -400.414920
where:
bonds (distance) C4'-P energy: -80.640
bonds (distance) P-C4' energy: -85.540
flat angles C4'-P-C4' energy: -100.216
flat angles P-C4'-P energy: -70.352
tors. eta vs tors. theta energy: -63.666
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: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -1152.263675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.263675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.263675 (E_RNA)
where:
Base-Base interactions energy: -783.824
where: short stacking energy: -318.902
Base-Backbone interact. energy: -3.784
local terms energy: -364.655403
where:
bonds (distance) C4'-P energy: -75.445
bonds (distance) P-C4' energy: -88.829
flat angles C4'-P-C4' energy: -87.053
flat angles P-C4'-P energy: -54.010
tors. eta vs tors. theta energy: -59.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -740.269369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.269369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.269369 (E_RNA)
where:
Base-Base interactions energy: -429.920
where: short stacking energy: -215.408
Base-Backbone interact. energy: 3.232
local terms energy: -313.581821
where:
bonds (distance) C4'-P energy: -82.062
bonds (distance) P-C4' energy: -80.791
flat angles C4'-P-C4' energy: -95.197
flat angles P-C4'-P energy: -47.146
tors. eta vs tors. theta energy: -8.387
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: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1927.238165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.238165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.238165 (E_RNA)
where:
Base-Base interactions energy: -1372.642
where: short stacking energy: -540.919
Base-Backbone interact. energy: 0.388
local terms energy: -554.984216
where:
bonds (distance) C4'-P energy: -101.981
bonds (distance) P-C4' energy: -104.250
flat angles C4'-P-C4' energy: -115.224
flat angles P-C4'-P energy: -84.694
tors. eta vs tors. theta energy: -148.835
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: 64
Temperature: 0.950000
Total energy: -1854.748072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.748072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.748072 (E_RNA)
where:
Base-Base interactions energy: -1327.552
where: short stacking energy: -498.345
Base-Backbone interact. energy: -5.051
local terms energy: -522.145017
where:
bonds (distance) C4'-P energy: -101.431
bonds (distance) P-C4' energy: -103.990
flat angles C4'-P-C4' energy: -114.796
flat angles P-C4'-P energy: -63.958
tors. eta vs tors. theta energy: -137.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1734.790779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.790779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.790779 (E_RNA)
where:
Base-Base interactions energy: -1231.623
where: short stacking energy: -510.208
Base-Backbone interact. energy: -4.194
local terms energy: -498.973836
where:
bonds (distance) C4'-P energy: -89.663
bonds (distance) P-C4' energy: -86.749
flat angles C4'-P-C4' energy: -115.047
flat angles P-C4'-P energy: -73.431
tors. eta vs tors. theta energy: -134.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1638.405960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.405960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.405960 (E_RNA)
where:
Base-Base interactions energy: -1127.394
where: short stacking energy: -466.317
Base-Backbone interact. energy: -1.563
local terms energy: -509.449822
where:
bonds (distance) C4'-P energy: -92.477
bonds (distance) P-C4' energy: -93.691
flat angles C4'-P-C4' energy: -117.816
flat angles P-C4'-P energy: -77.918
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: 5, replica: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1538.786521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.786521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.786521 (E_RNA)
where:
Base-Base interactions energy: -1094.317
where: short stacking energy: -417.235
Base-Backbone interact. energy: -0.614
local terms energy: -443.855301
where:
bonds (distance) C4'-P energy: -87.015
bonds (distance) P-C4' energy: -99.973
flat angles C4'-P-C4' energy: -89.513
flat angles P-C4'-P energy: -65.521
tors. eta vs tors. theta energy: -101.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1465.157590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.157590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.157590 (E_RNA)
where:
Base-Base interactions energy: -1010.232
where: short stacking energy: -405.654
Base-Backbone interact. energy: 5.676
local terms energy: -460.601304
where:
bonds (distance) C4'-P energy: -85.413
bonds (distance) P-C4' energy: -102.388
flat angles C4'-P-C4' energy: -101.673
flat angles P-C4'-P energy: -70.504
tors. eta vs tors. theta energy: -100.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1453.864218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.864218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.864218 (E_RNA)
where:
Base-Base interactions energy: -1010.432
where: short stacking energy: -402.784
Base-Backbone interact. energy: -4.044
local terms energy: -439.388261
where:
bonds (distance) C4'-P energy: -80.971
bonds (distance) P-C4' energy: -94.797
flat angles C4'-P-C4' energy: -90.351
flat angles P-C4'-P energy: -67.045
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: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1228.098179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.098179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.098179 (E_RNA)
where:
Base-Base interactions energy: -837.088
where: short stacking energy: -360.913
Base-Backbone interact. energy: -1.337
local terms energy: -389.673474
where:
bonds (distance) C4'-P energy: -74.498
bonds (distance) P-C4' energy: -89.406
flat angles C4'-P-C4' energy: -82.668
flat angles P-C4'-P energy: -64.644
tors. eta vs tors. theta energy: -78.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -1167.120549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.120549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.120549 (E_RNA)
where:
Base-Base interactions energy: -775.240
where: short stacking energy: -330.439
Base-Backbone interact. energy: -3.122
local terms energy: -388.759381
where:
bonds (distance) C4'-P energy: -90.164
bonds (distance) P-C4' energy: -83.079
flat angles C4'-P-C4' energy: -89.746
flat angles P-C4'-P energy: -55.085
tors. eta vs tors. theta energy: -70.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -792.700194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.700194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.700194 (E_RNA)
where:
Base-Base interactions energy: -469.055
where: short stacking energy: -245.866
Base-Backbone interact. energy: 0.472
local terms energy: -324.117852
where:
bonds (distance) C4'-P energy: -83.928
bonds (distance) P-C4' energy: -78.169
flat angles C4'-P-C4' energy: -67.531
flat angles P-C4'-P energy: -55.612
tors. eta vs tors. theta energy: -38.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1918.086509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.086509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.086509 (E_RNA)
where:
Base-Base interactions energy: -1346.259
where: short stacking energy: -541.511
Base-Backbone interact. energy: 0.269
local terms energy: -572.096921
where:
bonds (distance) C4'-P energy: -102.656
bonds (distance) P-C4' energy: -115.203
flat angles C4'-P-C4' energy: -124.847
flat angles P-C4'-P energy: -79.149
tors. eta vs tors. theta energy: -150.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1849.836047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.836047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.836047 (E_RNA)
where:
Base-Base interactions energy: -1295.458
where: short stacking energy: -530.090
Base-Backbone interact. energy: -0.553
local terms energy: -553.825412
where:
bonds (distance) C4'-P energy: -97.961
bonds (distance) P-C4' energy: -98.598
flat angles C4'-P-C4' energy: -128.335
flat angles P-C4'-P energy: -80.069
tors. eta vs tors. theta energy: -148.862
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: 65
Temperature: 1.000000
Total energy: -1712.177028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.177028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.177028 (E_RNA)
where:
Base-Base interactions energy: -1194.167
where: short stacking energy: -488.927
Base-Backbone interact. energy: 0.008
local terms energy: -518.017377
where:
bonds (distance) C4'-P energy: -95.404
bonds (distance) P-C4' energy: -98.442
flat angles C4'-P-C4' energy: -117.159
flat angles P-C4'-P energy: -76.234
tors. eta vs tors. theta energy: -130.778
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: 5
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1639.841888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.841888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.841888 (E_RNA)
where:
Base-Base interactions energy: -1160.720
where: short stacking energy: -492.612
Base-Backbone interact. energy: -2.616
local terms energy: -476.506148
where:
bonds (distance) C4'-P energy: -81.111
bonds (distance) P-C4' energy: -99.156
flat angles C4'-P-C4' energy: -96.695
flat angles P-C4'-P energy: -66.472
tors. eta vs tors. theta energy: -133.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1544.983620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.983620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.983620 (E_RNA)
where:
Base-Base interactions energy: -1078.566
where: short stacking energy: -470.351
Base-Backbone interact. energy: 4.071
local terms energy: -470.487923
where:
bonds (distance) C4'-P energy: -80.747
bonds (distance) P-C4' energy: -88.599
flat angles C4'-P-C4' energy: -108.152
flat angles P-C4'-P energy: -77.495
tors. eta vs tors. theta energy: -115.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1461.789709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.789709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.789709 (E_RNA)
where:
Base-Base interactions energy: -998.898
where: short stacking energy: -404.954
Base-Backbone interact. energy: 2.392
local terms energy: -465.283157
where:
bonds (distance) C4'-P energy: -89.230
bonds (distance) P-C4' energy: -96.446
flat angles C4'-P-C4' energy: -100.417
flat angles P-C4'-P energy: -73.069
tors. eta vs tors. theta energy: -106.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1395.014096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.014096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.014096 (E_RNA)
where:
Base-Base interactions energy: -963.186
where: short stacking energy: -408.946
Base-Backbone interact. energy: -2.499
local terms energy: -429.329583
where:
bonds (distance) C4'-P energy: -68.235
bonds (distance) P-C4' energy: -88.017
flat angles C4'-P-C4' energy: -100.094
flat angles P-C4'-P energy: -76.487
tors. eta vs tors. theta energy: -96.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1223.862323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.862323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.862323 (E_RNA)
where:
Base-Base interactions energy: -828.093
where: short stacking energy: -399.899
Base-Backbone interact. energy: -0.724
local terms energy: -395.044883
where:
bonds (distance) C4'-P energy: -65.112
bonds (distance) P-C4' energy: -105.206
flat angles C4'-P-C4' energy: -88.380
flat angles P-C4'-P energy: -48.974
tors. eta vs tors. theta energy: -87.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -1151.417357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.417357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.417357 (E_RNA)
where:
Base-Base interactions energy: -759.815
where: short stacking energy: -310.839
Base-Backbone interact. energy: 0.039
local terms energy: -391.640867
where:
bonds (distance) C4'-P energy: -83.230
bonds (distance) P-C4' energy: -104.307
flat angles C4'-P-C4' energy: -89.257
flat angles P-C4'-P energy: -51.111
tors. eta vs tors. theta energy: -63.736
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: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -794.424661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.424661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.424661 (E_RNA)
where:
Base-Base interactions energy: -472.652
where: short stacking energy: -207.836
Base-Backbone interact. energy: 3.503
local terms energy: -325.275667
where:
bonds (distance) C4'-P energy: -89.408
bonds (distance) P-C4' energy: -88.138
flat angles C4'-P-C4' energy: -75.643
flat angles P-C4'-P energy: -56.789
tors. eta vs tors. theta energy: -15.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1897.075014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.075014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.075014 (E_RNA)
where:
Base-Base interactions energy: -1367.692
where: short stacking energy: -541.401
Base-Backbone interact. energy: -0.900
local terms energy: -528.483100
where:
bonds (distance) C4'-P energy: -98.813
bonds (distance) P-C4' energy: -92.249
flat angles C4'-P-C4' energy: -111.189
flat angles P-C4'-P energy: -81.020
tors. eta vs tors. theta energy: -145.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1831.762604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.762604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.762604 (E_RNA)
where:
Base-Base interactions energy: -1284.358
where: short stacking energy: -511.340
Base-Backbone interact. energy: -2.697
local terms energy: -544.707076
where:
bonds (distance) C4'-P energy: -105.243
bonds (distance) P-C4' energy: -101.101
flat angles C4'-P-C4' energy: -108.391
flat angles P-C4'-P energy: -81.021
tors. eta vs tors. theta energy: -148.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1699.135394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.135394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.135394 (E_RNA)
where:
Base-Base interactions energy: -1185.212
where: short stacking energy: -481.774
Base-Backbone interact. energy: -1.291
local terms energy: -512.631562
where:
bonds (distance) C4'-P energy: -91.478
bonds (distance) P-C4' energy: -102.757
flat angles C4'-P-C4' energy: -122.359
flat angles P-C4'-P energy: -68.584
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: 4, replica: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1629.667805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.667805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.667805 (E_RNA)
where:
Base-Base interactions energy: -1129.866
where: short stacking energy: -477.659
Base-Backbone interact. energy: -2.246
local terms energy: -497.556155
where:
bonds (distance) C4'-P energy: -79.746
bonds (distance) P-C4' energy: -94.262
flat angles C4'-P-C4' energy: -115.237
flat angles P-C4'-P energy: -81.051
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: 5, replica: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1553.213736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.213736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.213736 (E_RNA)
where:
Base-Base interactions energy: -1069.483
where: short stacking energy: -462.335
Base-Backbone interact. energy: -2.276
local terms energy: -481.455011
where:
bonds (distance) C4'-P energy: -97.338
bonds (distance) P-C4' energy: -86.866
flat angles C4'-P-C4' energy: -111.020
flat angles P-C4'-P energy: -73.743
tors. eta vs tors. theta energy: -112.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1487.317970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.317970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.317970 (E_RNA)
where:
Base-Base interactions energy: -1038.488
where: short stacking energy: -444.696
Base-Backbone interact. energy: -2.690
local terms energy: -446.140321
where:
bonds (distance) C4'-P energy: -90.897
bonds (distance) P-C4' energy: -85.344
flat angles C4'-P-C4' energy: -97.558
flat angles P-C4'-P energy: -62.446
tors. eta vs tors. theta energy: -109.895
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: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1432.226267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.226267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.226267 (E_RNA)
where:
Base-Base interactions energy: -979.327
where: short stacking energy: -406.978
Base-Backbone interact. energy: -0.032
local terms energy: -452.867680
where:
bonds (distance) C4'-P energy: -98.957
bonds (distance) P-C4' energy: -82.211
flat angles C4'-P-C4' energy: -94.278
flat angles P-C4'-P energy: -65.826
tors. eta vs tors. theta energy: -111.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1154.339275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.339275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.339275 (E_RNA)
where:
Base-Base interactions energy: -760.656
where: short stacking energy: -335.977
Base-Backbone interact. energy: 3.361
local terms energy: -397.044366
where:
bonds (distance) C4'-P energy: -76.064
bonds (distance) P-C4' energy: -84.324
flat angles C4'-P-C4' energy: -95.061
flat angles P-C4'-P energy: -61.804
tors. eta vs tors. theta energy: -79.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -1139.243784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.243784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.243784 (E_RNA)
where:
Base-Base interactions energy: -746.044
where: short stacking energy: -320.497
Base-Backbone interact. energy: 1.474
local terms energy: -394.674063
where:
bonds (distance) C4'-P energy: -69.102
bonds (distance) P-C4' energy: -92.477
flat angles C4'-P-C4' energy: -92.211
flat angles P-C4'-P energy: -56.968
tors. eta vs tors. theta energy: -83.917
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: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -802.794252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.794252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.794252 (E_RNA)
where:
Base-Base interactions energy: -475.171
where: short stacking energy: -225.140
Base-Backbone interact. energy: -0.993
local terms energy: -326.629606
where:
bonds (distance) C4'-P energy: -77.277
bonds (distance) P-C4' energy: -80.243
flat angles C4'-P-C4' energy: -93.445
flat angles P-C4'-P energy: -50.938
tors. eta vs tors. theta energy: -24.726
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: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1917.917890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.917890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.917890 (E_RNA)
where:
Base-Base interactions energy: -1361.769
where: short stacking energy: -542.792
Base-Backbone interact. energy: 0.960
local terms energy: -557.109176
where:
bonds (distance) C4'-P energy: -101.355
bonds (distance) P-C4' energy: -105.635
flat angles C4'-P-C4' energy: -119.258
flat angles P-C4'-P energy: -90.347
tors. eta vs tors. theta energy: -140.514
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: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1857.521170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.521170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.521170 (E_RNA)
where:
Base-Base interactions energy: -1321.368
where: short stacking energy: -538.404
Base-Backbone interact. energy: -2.804
local terms energy: -533.348968
where:
bonds (distance) C4'-P energy: -99.403
bonds (distance) P-C4' energy: -87.923
flat angles C4'-P-C4' energy: -116.875
flat angles P-C4'-P energy: -82.514
tors. eta vs tors. theta energy: -146.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1749.158993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.158993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.158993 (E_RNA)
where:
Base-Base interactions energy: -1224.048
where: short stacking energy: -501.600
Base-Backbone interact. energy: -2.967
local terms energy: -522.143659
where:
bonds (distance) C4'-P energy: -99.443
bonds (distance) P-C4' energy: -103.772
flat angles C4'-P-C4' energy: -110.978
flat angles P-C4'-P energy: -75.916
tors. eta vs tors. theta energy: -132.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1633.307415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.307415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.307415 (E_RNA)
where:
Base-Base interactions energy: -1126.686
where: short stacking energy: -468.017
Base-Backbone interact. energy: 1.994
local terms energy: -508.615762
where:
bonds (distance) C4'-P energy: -91.687
bonds (distance) P-C4' energy: -96.246
flat angles C4'-P-C4' energy: -106.492
flat angles P-C4'-P energy: -89.762
tors. eta vs tors. theta energy: -124.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1559.205829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.205829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.205829 (E_RNA)
where:
Base-Base interactions energy: -1050.785
where: short stacking energy: -456.464
Base-Backbone interact. energy: 1.961
local terms energy: -510.381113
where:
bonds (distance) C4'-P energy: -108.829
bonds (distance) P-C4' energy: -101.079
flat angles C4'-P-C4' energy: -106.498
flat angles P-C4'-P energy: -74.605
tors. eta vs tors. theta energy: -119.369
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: 8
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1471.675165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.675165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.675165 (E_RNA)
where:
Base-Base interactions energy: -1026.792
where: short stacking energy: -419.394
Base-Backbone interact. energy: 2.875
local terms energy: -447.758306
where:
bonds (distance) C4'-P energy: -87.536
bonds (distance) P-C4' energy: -92.673
flat angles C4'-P-C4' energy: -110.679
flat angles P-C4'-P energy: -52.041
tors. eta vs tors. theta energy: -104.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1419.478482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.478482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.478482 (E_RNA)
where:
Base-Base interactions energy: -958.783
where: short stacking energy: -386.859
Base-Backbone interact. energy: -2.707
local terms energy: -457.988489
where:
bonds (distance) C4'-P energy: -84.936
bonds (distance) P-C4' energy: -95.389
flat angles C4'-P-C4' energy: -111.960
flat angles P-C4'-P energy: -67.756
tors. eta vs tors. theta energy: -97.948
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: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1133.864799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.864799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.864799 (E_RNA)
where:
Base-Base interactions energy: -766.053
where: short stacking energy: -318.215
Base-Backbone interact. energy: -2.805
local terms energy: -365.005973
where:
bonds (distance) C4'-P energy: -84.215
bonds (distance) P-C4' energy: -89.919
flat angles C4'-P-C4' energy: -93.981
flat angles P-C4'-P energy: -41.472
tors. eta vs tors. theta energy: -55.418
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: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -1159.490695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.490695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.490695 (E_RNA)
where:
Base-Base interactions energy: -785.945
where: short stacking energy: -335.504
Base-Backbone interact. energy: -1.547
local terms energy: -371.998626
where:
bonds (distance) C4'-P energy: -71.424
bonds (distance) P-C4' energy: -90.515
flat angles C4'-P-C4' energy: -95.221
flat angles P-C4'-P energy: -45.164
tors. eta vs tors. theta energy: -69.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -795.413289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.413289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.413289 (E_RNA)
where:
Base-Base interactions energy: -466.173
where: short stacking energy: -219.378
Base-Backbone interact. energy: -3.130
local terms energy: -326.109989
where:
bonds (distance) C4'-P energy: -82.482
bonds (distance) P-C4' energy: -88.390
flat angles C4'-P-C4' energy: -70.698
flat angles P-C4'-P energy: -62.560
tors. eta vs tors. theta energy: -21.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1917.908150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.908150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.908150 (E_RNA)
where:
Base-Base interactions energy: -1356.534
where: short stacking energy: -544.727
Base-Backbone interact. energy: -3.069
local terms energy: -558.304692
where:
bonds (distance) C4'-P energy: -104.865
bonds (distance) P-C4' energy: -100.705
flat angles C4'-P-C4' energy: -114.676
flat angles P-C4'-P energy: -92.240
tors. eta vs tors. theta energy: -145.819
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: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1821.082861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.082861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.082861 (E_RNA)
where:
Base-Base interactions energy: -1296.350
where: short stacking energy: -514.049
Base-Backbone interact. energy: -5.446
local terms energy: -519.286789
where:
bonds (distance) C4'-P energy: -83.141
bonds (distance) P-C4' energy: -96.287
flat angles C4'-P-C4' energy: -110.212
flat angles P-C4'-P energy: -76.771
tors. eta vs tors. theta energy: -152.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1734.879774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.879774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.879774 (E_RNA)
where:
Base-Base interactions energy: -1193.827
where: short stacking energy: -492.991
Base-Backbone interact. energy: -2.081
local terms energy: -538.971947
where:
bonds (distance) C4'-P energy: -103.920
bonds (distance) P-C4' energy: -107.680
flat angles C4'-P-C4' energy: -113.611
flat angles P-C4'-P energy: -80.406
tors. eta vs tors. theta energy: -133.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1570.206401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.206401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.206401 (E_RNA)
where:
Base-Base interactions energy: -1073.488
where: short stacking energy: -471.076
Base-Backbone interact. energy: -2.981
local terms energy: -493.737552
where:
bonds (distance) C4'-P energy: -84.327
bonds (distance) P-C4' energy: -101.135
flat angles C4'-P-C4' energy: -97.526
flat angles P-C4'-P energy: -83.559
tors. eta vs tors. theta energy: -127.191
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: 68
Temperature: 1.100000
Total energy: -1549.022864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.022864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.022864 (E_RNA)
where:
Base-Base interactions energy: -1059.383
where: short stacking energy: -458.757
Base-Backbone interact. energy: -2.866
local terms energy: -486.774572
where:
bonds (distance) C4'-P energy: -91.773
bonds (distance) P-C4' energy: -98.460
flat angles C4'-P-C4' energy: -106.346
flat angles P-C4'-P energy: -70.590
tors. eta vs tors. theta energy: -119.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1482.109511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.109511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.109511 (E_RNA)
where:
Base-Base interactions energy: -1026.249
where: short stacking energy: -447.693
Base-Backbone interact. energy: -2.130
local terms energy: -453.730586
where:
bonds (distance) C4'-P energy: -78.179
bonds (distance) P-C4' energy: -91.245
flat angles C4'-P-C4' energy: -98.597
flat angles P-C4'-P energy: -64.616
tors. eta vs tors. theta energy: -121.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1397.893693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.893693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.893693 (E_RNA)
where:
Base-Base interactions energy: -986.929
where: short stacking energy: -413.064
Base-Backbone interact. energy: 0.495
local terms energy: -411.459490
where:
bonds (distance) C4'-P energy: -82.326
bonds (distance) P-C4' energy: -88.804
flat angles C4'-P-C4' energy: -99.537
flat angles P-C4'-P energy: -51.110
tors. eta vs tors. theta energy: -89.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -1122.474074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.474074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.474074 (E_RNA)
where:
Base-Base interactions energy: -756.254
where: short stacking energy: -333.337
Base-Backbone interact. energy: 7.260
local terms energy: -373.480676
where:
bonds (distance) C4'-P energy: -72.536
bonds (distance) P-C4' energy: -91.996
flat angles C4'-P-C4' energy: -85.500
flat angles P-C4'-P energy: -63.097
tors. eta vs tors. theta energy: -60.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -1181.814074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.814074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.814074 (E_RNA)
where:
Base-Base interactions energy: -787.926
where: short stacking energy: -320.559
Base-Backbone interact. energy: -3.578
local terms energy: -390.309778
where:
bonds (distance) C4'-P energy: -95.955
bonds (distance) P-C4' energy: -79.782
flat angles C4'-P-C4' energy: -88.884
flat angles P-C4'-P energy: -61.060
tors. eta vs tors. theta energy: -64.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -833.515534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.515534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.515534 (E_RNA)
where:
Base-Base interactions energy: -535.438
where: short stacking energy: -234.023
Base-Backbone interact. energy: -3.183
local terms energy: -294.895193
where:
bonds (distance) C4'-P energy: -82.046
bonds (distance) P-C4' energy: -98.406
flat angles C4'-P-C4' energy: -72.079
flat angles P-C4'-P energy: -29.307
tors. eta vs tors. theta energy: -13.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1903.825328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.825328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.825328 (E_RNA)
where:
Base-Base interactions energy: -1367.164
where: short stacking energy: -525.717
Base-Backbone interact. energy: -0.831
local terms energy: -535.829926
where:
bonds (distance) C4'-P energy: -95.262
bonds (distance) P-C4' energy: -104.543
flat angles C4'-P-C4' energy: -117.188
flat angles P-C4'-P energy: -79.128
tors. eta vs tors. theta energy: -139.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1851.563313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.563313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.563313 (E_RNA)
where:
Base-Base interactions energy: -1330.753
where: short stacking energy: -544.307
Base-Backbone interact. energy: -1.448
local terms energy: -519.362744
where:
bonds (distance) C4'-P energy: -82.645
bonds (distance) P-C4' energy: -94.346
flat angles C4'-P-C4' energy: -113.010
flat angles P-C4'-P energy: -80.503
tors. eta vs tors. theta energy: -148.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1739.176479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.176479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.176479 (E_RNA)
where:
Base-Base interactions energy: -1216.553
where: short stacking energy: -507.439
Base-Backbone interact. energy: 1.007
local terms energy: -523.629848
where:
bonds (distance) C4'-P energy: -91.586
bonds (distance) P-C4' energy: -106.002
flat angles C4'-P-C4' energy: -119.050
flat angles P-C4'-P energy: -73.461
tors. eta vs tors. theta energy: -133.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1604.365857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.365857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.365857 (E_RNA)
where:
Base-Base interactions energy: -1093.131
where: short stacking energy: -465.156
Base-Backbone interact. energy: 0.387
local terms energy: -511.621415
where:
bonds (distance) C4'-P energy: -94.225
bonds (distance) P-C4' energy: -107.022
flat angles C4'-P-C4' energy: -101.143
flat angles P-C4'-P energy: -70.408
tors. eta vs tors. theta energy: -138.823
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: 69
Temperature: 1.100000
Total energy: -1556.457963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.457963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.457963 (E_RNA)
where:
Base-Base interactions energy: -1078.626
where: short stacking energy: -468.341
Base-Backbone interact. energy: 6.238
local terms energy: -484.070534
where:
bonds (distance) C4'-P energy: -91.069
bonds (distance) P-C4' energy: -91.067
flat angles C4'-P-C4' energy: -106.025
flat angles P-C4'-P energy: -72.442
tors. eta vs tors. theta energy: -123.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1497.059623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.059623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.059623 (E_RNA)
where:
Base-Base interactions energy: -1046.419
where: short stacking energy: -432.306
Base-Backbone interact. energy: 0.785
local terms energy: -451.426142
where:
bonds (distance) C4'-P energy: -90.683
bonds (distance) P-C4' energy: -87.540
flat angles C4'-P-C4' energy: -92.083
flat angles P-C4'-P energy: -72.966
tors. eta vs tors. theta energy: -108.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1407.840284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.840284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.840284 (E_RNA)
where:
Base-Base interactions energy: -954.150
where: short stacking energy: -387.991
Base-Backbone interact. energy: 3.052
local terms energy: -456.741727
where:
bonds (distance) C4'-P energy: -82.220
bonds (distance) P-C4' energy: -99.071
flat angles C4'-P-C4' energy: -108.218
flat angles P-C4'-P energy: -68.616
tors. eta vs tors. theta energy: -98.616
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: 7
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -1273.282216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.282216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.282216 (E_RNA)
where:
Base-Base interactions energy: -858.346
where: short stacking energy: -368.909
Base-Backbone interact. energy: -1.695
local terms energy: -413.241688
where:
bonds (distance) C4'-P energy: -77.361
bonds (distance) P-C4' energy: -93.348
flat angles C4'-P-C4' energy: -92.058
flat angles P-C4'-P energy: -66.273
tors. eta vs tors. theta energy: -84.202
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: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -1044.141547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.141547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.141547 (E_RNA)
where:
Base-Base interactions energy: -703.128
where: short stacking energy: -317.998
Base-Backbone interact. energy: -2.351
local terms energy: -338.662379
where:
bonds (distance) C4'-P energy: -76.511
bonds (distance) P-C4' energy: -83.404
flat angles C4'-P-C4' energy: -76.476
flat angles P-C4'-P energy: -58.138
tors. eta vs tors. theta energy: -44.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -783.866243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.866243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.866243 (E_RNA)
where:
Base-Base interactions energy: -463.190
where: short stacking energy: -223.811
Base-Backbone interact. energy: -2.171
local terms energy: -318.505766
where:
bonds (distance) C4'-P energy: -82.398
bonds (distance) P-C4' energy: -92.723
flat angles C4'-P-C4' energy: -80.059
flat angles P-C4'-P energy: -50.276
tors. eta vs tors. theta energy: -13.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1891.481106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.481106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.481106 (E_RNA)
where:
Base-Base interactions energy: -1350.778
where: short stacking energy: -529.594
Base-Backbone interact. energy: -1.572
local terms energy: -539.130793
where:
bonds (distance) C4'-P energy: -96.841
bonds (distance) P-C4' energy: -106.191
flat angles C4'-P-C4' energy: -113.134
flat angles P-C4'-P energy: -79.350
tors. eta vs tors. theta energy: -143.615
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: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1824.900481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.900481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.900481 (E_RNA)
where:
Base-Base interactions energy: -1272.991
where: short stacking energy: -487.202
Base-Backbone interact. energy: -2.605
local terms energy: -549.304904
where:
bonds (distance) C4'-P energy: -112.950
bonds (distance) P-C4' energy: -101.057
flat angles C4'-P-C4' energy: -116.175
flat angles P-C4'-P energy: -83.359
tors. eta vs tors. theta energy: -135.764
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: 70
Temperature: 1.000000
Total energy: -1731.604170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.604170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.604170 (E_RNA)
where:
Base-Base interactions energy: -1223.641
where: short stacking energy: -513.876
Base-Backbone interact. energy: -3.656
local terms energy: -504.307842
where:
bonds (distance) C4'-P energy: -99.917
bonds (distance) P-C4' energy: -101.946
flat angles C4'-P-C4' energy: -100.944
flat angles P-C4'-P energy: -65.173
tors. eta vs tors. theta energy: -136.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1591.238616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.238616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.238616 (E_RNA)
where:
Base-Base interactions energy: -1098.581
where: short stacking energy: -461.144
Base-Backbone interact. energy: -1.280
local terms energy: -491.377697
where:
bonds (distance) C4'-P energy: -89.792
bonds (distance) P-C4' energy: -101.347
flat angles C4'-P-C4' energy: -104.745
flat angles P-C4'-P energy: -82.846
tors. eta vs tors. theta energy: -112.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1546.728624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.728624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.728624 (E_RNA)
where:
Base-Base interactions energy: -1058.466
where: short stacking energy: -444.735
Base-Backbone interact. energy: -2.075
local terms energy: -486.187968
where:
bonds (distance) C4'-P energy: -97.965
bonds (distance) P-C4' energy: -94.842
flat angles C4'-P-C4' energy: -108.196
flat angles P-C4'-P energy: -75.865
tors. eta vs tors. theta energy: -109.319
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: 3
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1490.938002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.938002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.938002 (E_RNA)
where:
Base-Base interactions energy: -1032.173
where: short stacking energy: -445.801
Base-Backbone interact. energy: -1.060
local terms energy: -457.705273
where:
bonds (distance) C4'-P energy: -89.521
bonds (distance) P-C4' energy: -82.254
flat angles C4'-P-C4' energy: -104.748
flat angles P-C4'-P energy: -75.101
tors. eta vs tors. theta energy: -106.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1376.191717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.191717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.191717 (E_RNA)
where:
Base-Base interactions energy: -926.080
where: short stacking energy: -375.346
Base-Backbone interact. energy: 0.691
local terms energy: -450.802162
where:
bonds (distance) C4'-P energy: -93.058
bonds (distance) P-C4' energy: -101.235
flat angles C4'-P-C4' energy: -100.263
flat angles P-C4'-P energy: -57.405
tors. eta vs tors. theta energy: -98.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1206.545352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.545352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.545352 (E_RNA)
where:
Base-Base interactions energy: -807.485
where: short stacking energy: -351.239
Base-Backbone interact. energy: 0.575
local terms energy: -399.635428
where:
bonds (distance) C4'-P energy: -98.267
bonds (distance) P-C4' energy: -87.865
flat angles C4'-P-C4' energy: -81.048
flat angles P-C4'-P energy: -59.461
tors. eta vs tors. theta energy: -72.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -1089.119757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.119757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.119757 (E_RNA)
where:
Base-Base interactions energy: -734.222
where: short stacking energy: -306.157
Base-Backbone interact. energy: -3.373
local terms energy: -351.524737
where:
bonds (distance) C4'-P energy: -70.557
bonds (distance) P-C4' energy: -91.606
flat angles C4'-P-C4' energy: -94.854
flat angles P-C4'-P energy: -30.856
tors. eta vs tors. theta energy: -63.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -799.983514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.983514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.983514 (E_RNA)
where:
Base-Base interactions energy: -504.249
where: short stacking energy: -207.153
Base-Backbone interact. energy: 1.482
local terms energy: -297.216934
where:
bonds (distance) C4'-P energy: -83.888
bonds (distance) P-C4' energy: -71.367
flat angles C4'-P-C4' energy: -70.894
flat angles P-C4'-P energy: -49.225
tors. eta vs tors. theta energy: -21.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1916.615600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.615600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.615600 (E_RNA)
where:
Base-Base interactions energy: -1349.693
where: short stacking energy: -533.283
Base-Backbone interact. energy: -0.456
local terms energy: -566.466932
where:
bonds (distance) C4'-P energy: -102.295
bonds (distance) P-C4' energy: -107.361
flat angles C4'-P-C4' energy: -117.990
flat angles P-C4'-P energy: -88.049
tors. eta vs tors. theta energy: -150.772
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: 71
Temperature: 0.950000
Total energy: -1846.530692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.530692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.530692 (E_RNA)
where:
Base-Base interactions energy: -1303.941
where: short stacking energy: -524.027
Base-Backbone interact. energy: 0.756
local terms energy: -543.345639
where:
bonds (distance) C4'-P energy: -104.434
bonds (distance) P-C4' energy: -101.990
flat angles C4'-P-C4' energy: -110.969
flat angles P-C4'-P energy: -82.310
tors. eta vs tors. theta energy: -143.642
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: 71
Temperature: 1.000000
Total energy: -1780.404732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.404732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.404732 (E_RNA)
where:
Base-Base interactions energy: -1245.038
where: short stacking energy: -533.978
Base-Backbone interact. energy: -5.920
local terms energy: -529.445986
where:
bonds (distance) C4'-P energy: -94.570
bonds (distance) P-C4' energy: -99.676
flat angles C4'-P-C4' energy: -115.062
flat angles P-C4'-P energy: -66.224
tors. eta vs tors. theta energy: -153.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1628.163667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.163667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.163667 (E_RNA)
where:
Base-Base interactions energy: -1141.795
where: short stacking energy: -484.352
Base-Backbone interact. energy: -1.003
local terms energy: -485.365612
where:
bonds (distance) C4'-P energy: -80.514
bonds (distance) P-C4' energy: -101.866
flat angles C4'-P-C4' energy: -105.208
flat angles P-C4'-P energy: -65.613
tors. eta vs tors. theta energy: -132.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1526.644874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.644874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.644874 (E_RNA)
where:
Base-Base interactions energy: -1057.958
where: short stacking energy: -444.511
Base-Backbone interact. energy: -2.379
local terms energy: -466.307735
where:
bonds (distance) C4'-P energy: -96.213
bonds (distance) P-C4' energy: -91.838
flat angles C4'-P-C4' energy: -97.421
flat angles P-C4'-P energy: -72.862
tors. eta vs tors. theta energy: -107.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1438.697234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.697234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.697234 (E_RNA)
where:
Base-Base interactions energy: -978.348
where: short stacking energy: -407.334
Base-Backbone interact. energy: -3.273
local terms energy: -457.075471
where:
bonds (distance) C4'-P energy: -84.941
bonds (distance) P-C4' energy: -106.801
flat angles C4'-P-C4' energy: -108.889
flat angles P-C4'-P energy: -53.469
tors. eta vs tors. theta energy: -102.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1406.211358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.211358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.211358 (E_RNA)
where:
Base-Base interactions energy: -990.295
where: short stacking energy: -401.990
Base-Backbone interact. energy: 0.902
local terms energy: -416.818157
where:
bonds (distance) C4'-P energy: -90.271
bonds (distance) P-C4' energy: -82.380
flat angles C4'-P-C4' energy: -94.415
flat angles P-C4'-P energy: -59.362
tors. eta vs tors. theta energy: -90.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1218.207912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.207912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.207912 (E_RNA)
where:
Base-Base interactions energy: -797.524
where: short stacking energy: -345.870
Base-Backbone interact. energy: -3.529
local terms energy: -417.155346
where:
bonds (distance) C4'-P energy: -90.533
bonds (distance) P-C4' energy: -80.761
flat angles C4'-P-C4' energy: -98.416
flat angles P-C4'-P energy: -65.429
tors. eta vs tors. theta energy: -82.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -1021.465464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.465464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.465464 (E_RNA)
where:
Base-Base interactions energy: -684.181
where: short stacking energy: -300.741
Base-Backbone interact. energy: -0.742
local terms energy: -336.541551
where:
bonds (distance) C4'-P energy: -73.829
bonds (distance) P-C4' energy: -86.538
flat angles C4'-P-C4' energy: -74.023
flat angles P-C4'-P energy: -46.662
tors. eta vs tors. theta energy: -55.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -787.713152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.713152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.713152 (E_RNA)
where:
Base-Base interactions energy: -455.494
where: short stacking energy: -221.299
Base-Backbone interact. energy: -0.748
local terms energy: -331.470639
where:
bonds (distance) C4'-P energy: -82.769
bonds (distance) P-C4' energy: -97.820
flat angles C4'-P-C4' energy: -75.854
flat angles P-C4'-P energy: -57.665
tors. eta vs tors. theta energy: -17.363
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: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1905.102907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.102907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.102907 (E_RNA)
where:
Base-Base interactions energy: -1353.473
where: short stacking energy: -541.942
Base-Backbone interact. energy: 2.391
local terms energy: -554.021292
where:
bonds (distance) C4'-P energy: -104.902
bonds (distance) P-C4' energy: -102.686
flat angles C4'-P-C4' energy: -126.665
flat angles P-C4'-P energy: -72.523
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: 2, replica: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1855.926345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.926345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.926345 (E_RNA)
where:
Base-Base interactions energy: -1294.300
where: short stacking energy: -541.947
Base-Backbone interact. energy: -3.298
local terms energy: -558.327638
where:
bonds (distance) C4'-P energy: -101.217
bonds (distance) P-C4' energy: -98.258
flat angles C4'-P-C4' energy: -122.468
flat angles P-C4'-P energy: -84.843
tors. eta vs tors. theta energy: -151.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1748.283362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.283362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.283362 (E_RNA)
where:
Base-Base interactions energy: -1216.538
where: short stacking energy: -507.836
Base-Backbone interact. energy: -2.684
local terms energy: -529.061177
where:
bonds (distance) C4'-P energy: -90.219
bonds (distance) P-C4' energy: -90.061
flat angles C4'-P-C4' energy: -119.065
flat angles P-C4'-P energy: -78.200
tors. eta vs tors. theta energy: -151.516
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: 5
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1636.178851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.178851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.178851 (E_RNA)
where:
Base-Base interactions energy: -1140.806
where: short stacking energy: -471.682
Base-Backbone interact. energy: 0.647
local terms energy: -496.019762
where:
bonds (distance) C4'-P energy: -91.231
bonds (distance) P-C4' energy: -95.387
flat angles C4'-P-C4' energy: -114.131
flat angles P-C4'-P energy: -68.510
tors. eta vs tors. theta energy: -126.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1567.729802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.729802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.729802 (E_RNA)
where:
Base-Base interactions energy: -1081.883
where: short stacking energy: -461.655
Base-Backbone interact. energy: -0.642
local terms energy: -485.204895
where:
bonds (distance) C4'-P energy: -89.904
bonds (distance) P-C4' energy: -90.577
flat angles C4'-P-C4' energy: -109.017
flat angles P-C4'-P energy: -71.923
tors. eta vs tors. theta energy: -123.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1467.568019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.568019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.568019 (E_RNA)
where:
Base-Base interactions energy: -1006.056
where: short stacking energy: -429.175
Base-Backbone interact. energy: -2.829
local terms energy: -458.683119
where:
bonds (distance) C4'-P energy: -98.122
bonds (distance) P-C4' energy: -92.603
flat angles C4'-P-C4' energy: -94.538
flat angles P-C4'-P energy: -70.461
tors. eta vs tors. theta energy: -102.959
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: 7, replica: 6
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1399.151367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.151367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.151367 (E_RNA)
where:
Base-Base interactions energy: -963.857
where: short stacking energy: -397.563
Base-Backbone interact. energy: -1.108
local terms energy: -434.185933
where:
bonds (distance) C4'-P energy: -99.622
bonds (distance) P-C4' energy: -73.524
flat angles C4'-P-C4' energy: -107.212
flat angles P-C4'-P energy: -62.838
tors. eta vs tors. theta energy: -90.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -1251.823617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.823617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.823617 (E_RNA)
where:
Base-Base interactions energy: -858.123
where: short stacking energy: -372.618
Base-Backbone interact. energy: -0.030
local terms energy: -393.671004
where:
bonds (distance) C4'-P energy: -74.781
bonds (distance) P-C4' energy: -93.734
flat angles C4'-P-C4' energy: -103.485
flat angles P-C4'-P energy: -46.860
tors. eta vs tors. theta energy: -74.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -1015.999663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.999663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.999663 (E_RNA)
where:
Base-Base interactions energy: -672.667
where: short stacking energy: -287.610
Base-Backbone interact. energy: -0.138
local terms energy: -343.194086
where:
bonds (distance) C4'-P energy: -79.207
bonds (distance) P-C4' energy: -84.321
flat angles C4'-P-C4' energy: -99.373
flat angles P-C4'-P energy: -39.680
tors. eta vs tors. theta energy: -40.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -803.925405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.925405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.925405 (E_RNA)
where:
Base-Base interactions energy: -455.230
where: short stacking energy: -232.705
Base-Backbone interact. energy: -1.559
local terms energy: -347.136958
where:
bonds (distance) C4'-P energy: -92.344
bonds (distance) P-C4' energy: -74.000
flat angles C4'-P-C4' energy: -85.104
flat angles P-C4'-P energy: -57.662
tors. eta vs tors. theta energy: -38.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1900.708772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.708772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.708772 (E_RNA)
where:
Base-Base interactions energy: -1362.954
where: short stacking energy: -532.969
Base-Backbone interact. energy: -2.453
local terms energy: -535.301669
where:
bonds (distance) C4'-P energy: -95.565
bonds (distance) P-C4' energy: -110.033
flat angles C4'-P-C4' energy: -113.901
flat angles P-C4'-P energy: -75.658
tors. eta vs tors. theta energy: -140.144
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: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1872.720003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.720003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.720003 (E_RNA)
where:
Base-Base interactions energy: -1313.678
where: short stacking energy: -546.125
Base-Backbone interact. energy: -2.327
local terms energy: -556.715065
where:
bonds (distance) C4'-P energy: -103.460
bonds (distance) P-C4' energy: -106.327
flat angles C4'-P-C4' energy: -117.607
flat angles P-C4'-P energy: -73.638
tors. eta vs tors. theta energy: -155.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1749.714398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.714398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.714398 (E_RNA)
where:
Base-Base interactions energy: -1208.569
where: short stacking energy: -513.028
Base-Backbone interact. energy: -1.285
local terms energy: -539.860543
where:
bonds (distance) C4'-P energy: -94.072
bonds (distance) P-C4' energy: -92.077
flat angles C4'-P-C4' energy: -124.171
flat angles P-C4'-P energy: -79.726
tors. eta vs tors. theta energy: -149.815
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: 5
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1676.359054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.359054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.359054 (E_RNA)
where:
Base-Base interactions energy: -1170.479
where: short stacking energy: -448.872
Base-Backbone interact. energy: -0.700
local terms energy: -505.179819
where:
bonds (distance) C4'-P energy: -94.527
bonds (distance) P-C4' energy: -99.948
flat angles C4'-P-C4' energy: -112.493
flat angles P-C4'-P energy: -74.334
tors. eta vs tors. theta energy: -123.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1582.408676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.408676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.408676 (E_RNA)
where:
Base-Base interactions energy: -1094.111
where: short stacking energy: -467.802
Base-Backbone interact. energy: -0.587
local terms energy: -487.710676
where:
bonds (distance) C4'-P energy: -87.978
bonds (distance) P-C4' energy: -93.637
flat angles C4'-P-C4' energy: -99.412
flat angles P-C4'-P energy: -76.557
tors. eta vs tors. theta energy: -130.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1498.728998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.728998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.728998 (E_RNA)
where:
Base-Base interactions energy: -1032.359
where: short stacking energy: -444.844
Base-Backbone interact. energy: 0.957
local terms energy: -467.327485
where:
bonds (distance) C4'-P energy: -97.896
bonds (distance) P-C4' energy: -89.608
flat angles C4'-P-C4' energy: -103.836
flat angles P-C4'-P energy: -60.499
tors. eta vs tors. theta energy: -115.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1431.589898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.589898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.589898 (E_RNA)
where:
Base-Base interactions energy: -977.012
where: short stacking energy: -418.943
Base-Backbone interact. energy: -1.693
local terms energy: -452.885113
where:
bonds (distance) C4'-P energy: -89.897
bonds (distance) P-C4' energy: -93.800
flat angles C4'-P-C4' energy: -104.035
flat angles P-C4'-P energy: -63.707
tors. eta vs tors. theta energy: -101.446
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: 7
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -1276.602121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.602121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.602121 (E_RNA)
where:
Base-Base interactions energy: -855.548
where: short stacking energy: -365.163
Base-Backbone interact. energy: -2.402
local terms energy: -418.652329
where:
bonds (distance) C4'-P energy: -74.552
bonds (distance) P-C4' energy: -100.385
flat angles C4'-P-C4' energy: -94.622
flat angles P-C4'-P energy: -55.644
tors. eta vs tors. theta energy: -93.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -1041.785781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.785781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.785781 (E_RNA)
where:
Base-Base interactions energy: -688.189
where: short stacking energy: -283.964
Base-Backbone interact. energy: -1.123
local terms energy: -352.474194
where:
bonds (distance) C4'-P energy: -85.228
bonds (distance) P-C4' energy: -79.019
flat angles C4'-P-C4' energy: -92.909
flat angles P-C4'-P energy: -51.550
tors. eta vs tors. theta energy: -43.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -762.324196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.324196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.324196 (E_RNA)
where:
Base-Base interactions energy: -451.308
where: short stacking energy: -181.539
Base-Backbone interact. energy: -2.017
local terms energy: -308.999262
where:
bonds (distance) C4'-P energy: -87.892
bonds (distance) P-C4' energy: -84.678
flat angles C4'-P-C4' energy: -82.233
flat angles P-C4'-P energy: -57.528
tors. eta vs tors. theta energy: 3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1898.697694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.697694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.697694 (E_RNA)
where:
Base-Base interactions energy: -1342.300
where: short stacking energy: -539.162
Base-Backbone interact. energy: -3.105
local terms energy: -553.292141
where:
bonds (distance) C4'-P energy: -100.355
bonds (distance) P-C4' energy: -111.314
flat angles C4'-P-C4' energy: -117.670
flat angles P-C4'-P energy: -88.244
tors. eta vs tors. theta energy: -135.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1859.733744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.733744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.733744 (E_RNA)
where:
Base-Base interactions energy: -1312.646
where: short stacking energy: -540.280
Base-Backbone interact. energy: -0.680
local terms energy: -546.408027
where:
bonds (distance) C4'-P energy: -96.720
bonds (distance) P-C4' energy: -101.220
flat angles C4'-P-C4' energy: -123.166
flat angles P-C4'-P energy: -77.400
tors. eta vs tors. theta energy: -147.902
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: 5
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1714.054623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.054623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.054623 (E_RNA)
where:
Base-Base interactions energy: -1204.429
where: short stacking energy: -504.535
Base-Backbone interact. energy: -1.128
local terms energy: -508.498065
where:
bonds (distance) C4'-P energy: -103.794
bonds (distance) P-C4' energy: -93.326
flat angles C4'-P-C4' energy: -110.786
flat angles P-C4'-P energy: -67.970
tors. eta vs tors. theta energy: -132.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1678.368979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.368979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.368979 (E_RNA)
where:
Base-Base interactions energy: -1181.251
where: short stacking energy: -490.630
Base-Backbone interact. energy: -1.227
local terms energy: -495.891273
where:
bonds (distance) C4'-P energy: -92.582
bonds (distance) P-C4' energy: -81.600
flat angles C4'-P-C4' energy: -112.634
flat angles P-C4'-P energy: -73.470
tors. eta vs tors. theta energy: -135.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1546.918867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.918867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.918867 (E_RNA)
where:
Base-Base interactions energy: -1050.326
where: short stacking energy: -431.288
Base-Backbone interact. energy: -2.710
local terms energy: -493.883390
where:
bonds (distance) C4'-P energy: -99.335
bonds (distance) P-C4' energy: -101.211
flat angles C4'-P-C4' energy: -103.524
flat angles P-C4'-P energy: -77.839
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: 6, replica: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1522.182611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.182611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.182611 (E_RNA)
where:
Base-Base interactions energy: -1069.958
where: short stacking energy: -417.427
Base-Backbone interact. energy: 0.490
local terms energy: -452.715441
where:
bonds (distance) C4'-P energy: -79.434
bonds (distance) P-C4' energy: -93.193
flat angles C4'-P-C4' energy: -98.618
flat angles P-C4'-P energy: -62.122
tors. eta vs tors. theta energy: -119.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1387.365324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.365324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.365324 (E_RNA)
where:
Base-Base interactions energy: -953.784
where: short stacking energy: -400.342
Base-Backbone interact. energy: -1.735
local terms energy: -431.846588
where:
bonds (distance) C4'-P energy: -99.821
bonds (distance) P-C4' energy: -91.709
flat angles C4'-P-C4' energy: -90.428
flat angles P-C4'-P energy: -58.056
tors. eta vs tors. theta energy: -91.832
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: 8, replica: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1318.539830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.539830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.539830 (E_RNA)
where:
Base-Base interactions energy: -887.256
where: short stacking energy: -391.558
Base-Backbone interact. energy: -0.893
local terms energy: -430.390370
where:
bonds (distance) C4'-P energy: -80.392
bonds (distance) P-C4' energy: -93.775
flat angles C4'-P-C4' energy: -106.280
flat angles P-C4'-P energy: -53.572
tors. eta vs tors. theta energy: -96.372
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: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -961.296244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.296244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.296244 (E_RNA)
where:
Base-Base interactions energy: -612.684
where: short stacking energy: -268.201
Base-Backbone interact. energy: 3.971
local terms energy: -352.583231
where:
bonds (distance) C4'-P energy: -78.293
bonds (distance) P-C4' energy: -82.015
flat angles C4'-P-C4' energy: -78.061
flat angles P-C4'-P energy: -63.518
tors. eta vs tors. theta energy: -50.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -768.327656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.327656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.327656 (E_RNA)
where:
Base-Base interactions energy: -448.636
where: short stacking energy: -234.265
Base-Backbone interact. energy: 2.300
local terms energy: -321.991861
where:
bonds (distance) C4'-P energy: -72.821
bonds (distance) P-C4' energy: -96.863
flat angles C4'-P-C4' energy: -81.055
flat angles P-C4'-P energy: -41.005
tors. eta vs tors. theta energy: -30.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1905.377523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.377523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.377523 (E_RNA)
where:
Base-Base interactions energy: -1337.467
where: short stacking energy: -545.192
Base-Backbone interact. energy: -5.138
local terms energy: -562.772401
where:
bonds (distance) C4'-P energy: -106.985
bonds (distance) P-C4' energy: -109.898
flat angles C4'-P-C4' energy: -115.384
flat angles P-C4'-P energy: -80.911
tors. eta vs tors. theta energy: -149.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1830.931728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.931728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.931728 (E_RNA)
where:
Base-Base interactions energy: -1291.582
where: short stacking energy: -546.983
Base-Backbone interact. energy: -4.454
local terms energy: -534.895792
where:
bonds (distance) C4'-P energy: -95.371
bonds (distance) P-C4' energy: -103.128
flat angles C4'-P-C4' energy: -121.465
flat angles P-C4'-P energy: -76.817
tors. eta vs tors. theta energy: -138.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1711.358182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.358182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.358182 (E_RNA)
where:
Base-Base interactions energy: -1218.253
where: short stacking energy: -478.986
Base-Backbone interact. energy: 0.500
local terms energy: -493.605680
where:
bonds (distance) C4'-P energy: -84.948
bonds (distance) P-C4' energy: -101.246
flat angles C4'-P-C4' energy: -113.707
flat angles P-C4'-P energy: -72.128
tors. eta vs tors. theta energy: -121.578
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: 4
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1679.134214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.134214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.134214 (E_RNA)
where:
Base-Base interactions energy: -1168.104
where: short stacking energy: -483.709
Base-Backbone interact. energy: 0.117
local terms energy: -511.147270
where:
bonds (distance) C4'-P energy: -98.540
bonds (distance) P-C4' energy: -98.319
flat angles C4'-P-C4' energy: -114.362
flat angles P-C4'-P energy: -73.154
tors. eta vs tors. theta energy: -126.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1548.114312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.114312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.114312 (E_RNA)
where:
Base-Base interactions energy: -1098.569
where: short stacking energy: -466.674
Base-Backbone interact. energy: -2.709
local terms energy: -446.835796
where:
bonds (distance) C4'-P energy: -76.795
bonds (distance) P-C4' energy: -91.873
flat angles C4'-P-C4' energy: -95.198
flat angles P-C4'-P energy: -63.723
tors. eta vs tors. theta energy: -119.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1510.700551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.700551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.700551 (E_RNA)
where:
Base-Base interactions energy: -1034.290
where: short stacking energy: -434.461
Base-Backbone interact. energy: -0.156
local terms energy: -476.255129
where:
bonds (distance) C4'-P energy: -76.447
bonds (distance) P-C4' energy: -103.902
flat angles C4'-P-C4' energy: -104.289
flat angles P-C4'-P energy: -70.416
tors. eta vs tors. theta energy: -121.201
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: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1414.329104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.329104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.329104 (E_RNA)
where:
Base-Base interactions energy: -963.326
where: short stacking energy: -385.303
Base-Backbone interact. energy: -2.883
local terms energy: -448.119387
where:
bonds (distance) C4'-P energy: -94.378
bonds (distance) P-C4' energy: -100.602
flat angles C4'-P-C4' energy: -106.986
flat angles P-C4'-P energy: -60.325
tors. eta vs tors. theta energy: -85.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1285.245645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.245645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.245645 (E_RNA)
where:
Base-Base interactions energy: -885.651
where: short stacking energy: -363.459
Base-Backbone interact. energy: 2.622
local terms energy: -402.215994
where:
bonds (distance) C4'-P energy: -87.953
bonds (distance) P-C4' energy: -80.587
flat angles C4'-P-C4' energy: -85.675
flat angles P-C4'-P energy: -62.129
tors. eta vs tors. theta energy: -85.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -1019.491417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.491417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.491417 (E_RNA)
where:
Base-Base interactions energy: -651.813
where: short stacking energy: -277.782
Base-Backbone interact. energy: -2.693
local terms energy: -364.985214
where:
bonds (distance) C4'-P energy: -75.710
bonds (distance) P-C4' energy: -90.372
flat angles C4'-P-C4' energy: -99.928
flat angles P-C4'-P energy: -52.670
tors. eta vs tors. theta energy: -46.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -809.788599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.788599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.788599 (E_RNA)
where:
Base-Base interactions energy: -485.507
where: short stacking energy: -235.597
Base-Backbone interact. energy: 6.321
local terms energy: -330.602350
where:
bonds (distance) C4'-P energy: -100.774
bonds (distance) P-C4' energy: -82.969
flat angles C4'-P-C4' energy: -72.546
flat angles P-C4'-P energy: -53.518
tors. eta vs tors. theta energy: -20.795
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: 76
Temperature: 0.900000
Total energy: -1865.669095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.669095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.669095 (E_RNA)
where:
Base-Base interactions energy: -1306.354
where: short stacking energy: -545.936
Base-Backbone interact. energy: -2.693
local terms energy: -556.623061
where:
bonds (distance) C4'-P energy: -116.133
bonds (distance) P-C4' energy: -101.129
flat angles C4'-P-C4' energy: -115.805
flat angles P-C4'-P energy: -81.899
tors. eta vs tors. theta energy: -141.657
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: 2, replica: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1868.536965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.536965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.536965 (E_RNA)
where:
Base-Base interactions energy: -1317.692
where: short stacking energy: -523.945
Base-Backbone interact. energy: -0.968
local terms energy: -549.876616
where:
bonds (distance) C4'-P energy: -106.895
bonds (distance) P-C4' energy: -109.847
flat angles C4'-P-C4' energy: -110.307
flat angles P-C4'-P energy: -66.645
tors. eta vs tors. theta energy: -156.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1673.197240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.197240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.197240 (E_RNA)
where:
Base-Base interactions energy: -1160.837
where: short stacking energy: -482.945
Base-Backbone interact. energy: -3.206
local terms energy: -509.154024
where:
bonds (distance) C4'-P energy: -86.053
bonds (distance) P-C4' energy: -101.373
flat angles C4'-P-C4' energy: -111.402
flat angles P-C4'-P energy: -71.626
tors. eta vs tors. theta energy: -138.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1633.289873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.289873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.289873 (E_RNA)
where:
Base-Base interactions energy: -1156.399
where: short stacking energy: -476.299
Base-Backbone interact. energy: -0.542
local terms energy: -476.348580
where:
bonds (distance) C4'-P energy: -69.827
bonds (distance) P-C4' energy: -93.356
flat angles C4'-P-C4' energy: -111.443
flat angles P-C4'-P energy: -77.915
tors. eta vs tors. theta energy: -123.808
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: 76
Temperature: 1.100000
Total energy: -1560.172117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.172117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.172117 (E_RNA)
where:
Base-Base interactions energy: -1062.118
where: short stacking energy: -442.772
Base-Backbone interact. energy: -1.902
local terms energy: -496.152088
where:
bonds (distance) C4'-P energy: -91.786
bonds (distance) P-C4' energy: -109.650
flat angles C4'-P-C4' energy: -109.806
flat angles P-C4'-P energy: -65.269
tors. eta vs tors. theta energy: -119.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1528.375739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.375739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.375739 (E_RNA)
where:
Base-Base interactions energy: -1051.310
where: short stacking energy: -444.969
Base-Backbone interact. energy: 2.389
local terms energy: -479.455162
where:
bonds (distance) C4'-P energy: -89.034
bonds (distance) P-C4' energy: -93.663
flat angles C4'-P-C4' energy: -105.932
flat angles P-C4'-P energy: -70.062
tors. eta vs tors. theta energy: -120.765
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: 7, replica: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1421.246197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.246197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.246197 (E_RNA)
where:
Base-Base interactions energy: -983.255
where: short stacking energy: -405.596
Base-Backbone interact. energy: 0.196
local terms energy: -438.187163
where:
bonds (distance) C4'-P energy: -101.201
bonds (distance) P-C4' energy: -85.440
flat angles C4'-P-C4' energy: -89.078
flat angles P-C4'-P energy: -74.749
tors. eta vs tors. theta energy: -87.719
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: 7
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -1282.663302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.663302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.663302 (E_RNA)
where:
Base-Base interactions energy: -863.941
where: short stacking energy: -376.466
Base-Backbone interact. energy: -3.861
local terms energy: -414.860646
where:
bonds (distance) C4'-P energy: -79.589
bonds (distance) P-C4' energy: -95.988
flat angles C4'-P-C4' energy: -97.270
flat angles P-C4'-P energy: -54.163
tors. eta vs tors. theta energy: -87.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -999.644631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.644631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.644631 (E_RNA)
where:
Base-Base interactions energy: -622.085
where: short stacking energy: -253.245
Base-Backbone interact. energy: 0.196
local terms energy: -377.755025
where:
bonds (distance) C4'-P energy: -92.448
bonds (distance) P-C4' energy: -98.071
flat angles C4'-P-C4' energy: -84.743
flat angles P-C4'-P energy: -59.393
tors. eta vs tors. theta energy: -43.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -845.418080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.418080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.418080 (E_RNA)
where:
Base-Base interactions energy: -516.196
where: short stacking energy: -254.034
Base-Backbone interact. energy: 4.932
local terms energy: -334.153857
where:
bonds (distance) C4'-P energy: -89.369
bonds (distance) P-C4' energy: -88.092
flat angles C4'-P-C4' energy: -74.788
flat angles P-C4'-P energy: -38.418
tors. eta vs tors. theta energy: -43.487
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: 77
Temperature: 0.900000
Total energy: -1866.023105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.023105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.023105 (E_RNA)
where:
Base-Base interactions energy: -1321.405
where: short stacking energy: -552.634
Base-Backbone interact. energy: -3.047
local terms energy: -541.570707
where:
bonds (distance) C4'-P energy: -109.413
bonds (distance) P-C4' energy: -94.062
flat angles C4'-P-C4' energy: -117.048
flat angles P-C4'-P energy: -76.775
tors. eta vs tors. theta energy: -144.272
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: 77
Temperature: 0.950000
Total energy: -1882.105259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.105259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.105259 (E_RNA)
where:
Base-Base interactions energy: -1351.459
where: short stacking energy: -518.123
Base-Backbone interact. energy: 1.324
local terms energy: -531.970163
where:
bonds (distance) C4'-P energy: -100.301
bonds (distance) P-C4' energy: -103.403
flat angles C4'-P-C4' energy: -104.449
flat angles P-C4'-P energy: -79.360
tors. eta vs tors. theta energy: -144.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1723.791908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.791908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.791908 (E_RNA)
where:
Base-Base interactions energy: -1211.016
where: short stacking energy: -508.565
Base-Backbone interact. energy: -2.612
local terms energy: -510.163717
where:
bonds (distance) C4'-P energy: -91.369
bonds (distance) P-C4' energy: -107.199
flat angles C4'-P-C4' energy: -102.358
flat angles P-C4'-P energy: -74.933
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: 4, replica: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1650.954729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.954729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.954729 (E_RNA)
where:
Base-Base interactions energy: -1175.293
where: short stacking energy: -491.753
Base-Backbone interact. energy: 0.552
local terms energy: -476.213642
where:
bonds (distance) C4'-P energy: -87.630
bonds (distance) P-C4' energy: -97.347
flat angles C4'-P-C4' energy: -92.654
flat angles P-C4'-P energy: -72.768
tors. eta vs tors. theta energy: -125.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1586.554408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.554408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.554408 (E_RNA)
where:
Base-Base interactions energy: -1104.330
where: short stacking energy: -444.049
Base-Backbone interact. energy: -1.665
local terms energy: -480.559452
where:
bonds (distance) C4'-P energy: -99.434
bonds (distance) P-C4' energy: -95.936
flat angles C4'-P-C4' energy: -99.762
flat angles P-C4'-P energy: -59.724
tors. eta vs tors. theta energy: -125.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1511.023679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.023679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.023679 (E_RNA)
where:
Base-Base interactions energy: -1046.911
where: short stacking energy: -420.305
Base-Backbone interact. energy: -2.734
local terms energy: -461.378714
where:
bonds (distance) C4'-P energy: -94.644
bonds (distance) P-C4' energy: -104.942
flat angles C4'-P-C4' energy: -92.336
flat angles P-C4'-P energy: -52.845
tors. eta vs tors. theta energy: -116.612
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: 7, replica: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1381.461140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.461140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.461140 (E_RNA)
where:
Base-Base interactions energy: -975.313
where: short stacking energy: -414.087
Base-Backbone interact. energy: -1.018
local terms energy: -405.130214
where:
bonds (distance) C4'-P energy: -87.945
bonds (distance) P-C4' energy: -77.373
flat angles C4'-P-C4' energy: -85.650
flat angles P-C4'-P energy: -68.050
tors. eta vs tors. theta energy: -86.113
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: 8, replica: 7
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -1357.685842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.685842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.685842 (E_RNA)
where:
Base-Base interactions energy: -925.551
where: short stacking energy: -392.358
Base-Backbone interact. energy: 0.154
local terms energy: -432.289118
where:
bonds (distance) C4'-P energy: -83.374
bonds (distance) P-C4' energy: -93.539
flat angles C4'-P-C4' energy: -100.874
flat angles P-C4'-P energy: -63.720
tors. eta vs tors. theta energy: -90.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -992.162658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.162658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.162658 (E_RNA)
where:
Base-Base interactions energy: -609.195
where: short stacking energy: -267.967
Base-Backbone interact. energy: 0.958
local terms energy: -383.925434
where:
bonds (distance) C4'-P energy: -92.211
bonds (distance) P-C4' energy: -94.473
flat angles C4'-P-C4' energy: -92.257
flat angles P-C4'-P energy: -66.814
tors. eta vs tors. theta energy: -38.169
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: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -801.850794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.850794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.850794 (E_RNA)
where:
Base-Base interactions energy: -484.617
where: short stacking energy: -223.735
Base-Backbone interact. energy: -1.382
local terms energy: -315.851911
where:
bonds (distance) C4'-P energy: -90.125
bonds (distance) P-C4' energy: -77.962
flat angles C4'-P-C4' energy: -83.550
flat angles P-C4'-P energy: -42.791
tors. eta vs tors. theta energy: -21.424
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: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1915.152782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.152782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.152782 (E_RNA)
where:
Base-Base interactions energy: -1367.997
where: short stacking energy: -546.847
Base-Backbone interact. energy: 0.142
local terms energy: -547.297612
where:
bonds (distance) C4'-P energy: -88.579
bonds (distance) P-C4' energy: -116.184
flat angles C4'-P-C4' energy: -123.675
flat angles P-C4'-P energy: -70.300
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: 78
Temperature: 0.950000
Total energy: -1839.563220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.563220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.563220 (E_RNA)
where:
Base-Base interactions energy: -1305.455
where: short stacking energy: -514.864
Base-Backbone interact. energy: -2.885
local terms energy: -531.223028
where:
bonds (distance) C4'-P energy: -86.675
bonds (distance) P-C4' energy: -114.605
flat angles C4'-P-C4' energy: -111.641
flat angles P-C4'-P energy: -80.921
tors. eta vs tors. theta energy: -137.381
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: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1744.481701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.481701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.481701 (E_RNA)
where:
Base-Base interactions energy: -1202.479
where: short stacking energy: -507.575
Base-Backbone interact. energy: -2.991
local terms energy: -539.011429
where:
bonds (distance) C4'-P energy: -94.484
bonds (distance) P-C4' energy: -102.621
flat angles C4'-P-C4' energy: -116.128
flat angles P-C4'-P energy: -83.415
tors. eta vs tors. theta energy: -142.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1679.034443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.034443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.034443 (E_RNA)
where:
Base-Base interactions energy: -1162.316
where: short stacking energy: -481.583
Base-Backbone interact. energy: -1.755
local terms energy: -514.963329
where:
bonds (distance) C4'-P energy: -94.585
bonds (distance) P-C4' energy: -98.255
flat angles C4'-P-C4' energy: -109.875
flat angles P-C4'-P energy: -73.694
tors. eta vs tors. theta energy: -138.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1606.880031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.880031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.880031 (E_RNA)
where:
Base-Base interactions energy: -1122.293
where: short stacking energy: -499.259
Base-Backbone interact. energy: -3.257
local terms energy: -481.329916
where:
bonds (distance) C4'-P energy: -84.032
bonds (distance) P-C4' energy: -80.108
flat angles C4'-P-C4' energy: -107.661
flat angles P-C4'-P energy: -72.474
tors. eta vs tors. theta energy: -137.055
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: 6, replica: 8
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1513.196306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.196306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.196306 (E_RNA)
where:
Base-Base interactions energy: -1068.327
where: short stacking energy: -420.197
Base-Backbone interact. energy: -2.689
local terms energy: -442.180316
where:
bonds (distance) C4'-P energy: -90.385
bonds (distance) P-C4' energy: -95.571
flat angles C4'-P-C4' energy: -98.833
flat angles P-C4'-P energy: -51.384
tors. eta vs tors. theta energy: -106.008
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: 7, replica: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1435.062587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.062587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.062587 (E_RNA)
where:
Base-Base interactions energy: -996.935
where: short stacking energy: -391.605
Base-Backbone interact. energy: -2.093
local terms energy: -436.034221
where:
bonds (distance) C4'-P energy: -78.850
bonds (distance) P-C4' energy: -94.576
flat angles C4'-P-C4' energy: -96.824
flat angles P-C4'-P energy: -67.306
tors. eta vs tors. theta energy: -98.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1245.982104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.982104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.982104 (E_RNA)
where:
Base-Base interactions energy: -843.346
where: short stacking energy: -347.741
Base-Backbone interact. energy: -0.938
local terms energy: -401.697748
where:
bonds (distance) C4'-P energy: -71.666
bonds (distance) P-C4' energy: -93.787
flat angles C4'-P-C4' energy: -100.645
flat angles P-C4'-P energy: -64.760
tors. eta vs tors. theta energy: -70.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -991.745213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.745213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.745213 (E_RNA)
where:
Base-Base interactions energy: -626.262
where: short stacking energy: -268.882
Base-Backbone interact. energy: -0.970
local terms energy: -364.512950
where:
bonds (distance) C4'-P energy: -88.706
bonds (distance) P-C4' energy: -79.456
flat angles C4'-P-C4' energy: -105.587
flat angles P-C4'-P energy: -41.179
tors. eta vs tors. theta energy: -49.585
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: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -787.947715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.947715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.947715 (E_RNA)
where:
Base-Base interactions energy: -466.896
where: short stacking energy: -236.984
Base-Backbone interact. energy: -1.864
local terms energy: -319.188040
where:
bonds (distance) C4'-P energy: -72.157
bonds (distance) P-C4' energy: -94.890
flat angles C4'-P-C4' energy: -81.080
flat angles P-C4'-P energy: -43.235
tors. eta vs tors. theta energy: -27.825
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: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1913.173243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.173243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.173243 (E_RNA)
where:
Base-Base interactions energy: -1372.790
where: short stacking energy: -539.356
Base-Backbone interact. energy: -1.754
local terms energy: -538.629126
where:
bonds (distance) C4'-P energy: -99.768
bonds (distance) P-C4' energy: -96.839
flat angles C4'-P-C4' energy: -114.584
flat angles P-C4'-P energy: -83.217
tors. eta vs tors. theta energy: -144.221
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: 2
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1815.295766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.295766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.295766 (E_RNA)
where:
Base-Base interactions energy: -1262.640
where: short stacking energy: -513.375
Base-Backbone interact. energy: -1.375
local terms energy: -551.281313
where:
bonds (distance) C4'-P energy: -103.237
bonds (distance) P-C4' energy: -110.484
flat angles C4'-P-C4' energy: -121.448
flat angles P-C4'-P energy: -75.183
tors. eta vs tors. theta energy: -140.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1732.571027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.571027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.571027 (E_RNA)
where:
Base-Base interactions energy: -1212.843
where: short stacking energy: -525.107
Base-Backbone interact. energy: -1.152
local terms energy: -518.575372
where:
bonds (distance) C4'-P energy: -89.320
bonds (distance) P-C4' energy: -101.203
flat angles C4'-P-C4' energy: -116.398
flat angles P-C4'-P energy: -67.537
tors. eta vs tors. theta energy: -144.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1700.518108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.518108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.518108 (E_RNA)
where:
Base-Base interactions energy: -1171.721
where: short stacking energy: -514.939
Base-Backbone interact. energy: 3.693
local terms energy: -532.490335
where:
bonds (distance) C4'-P energy: -96.837
bonds (distance) P-C4' energy: -80.556
flat angles C4'-P-C4' energy: -123.941
flat angles P-C4'-P energy: -91.067
tors. eta vs tors. theta energy: -140.089
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: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1574.460399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.460399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.460399 (E_RNA)
where:
Base-Base interactions energy: -1107.272
where: short stacking energy: -471.090
Base-Backbone interact. energy: 0.188
local terms energy: -467.376710
where:
bonds (distance) C4'-P energy: -96.972
bonds (distance) P-C4' energy: -84.576
flat angles C4'-P-C4' energy: -94.318
flat angles P-C4'-P energy: -75.721
tors. eta vs tors. theta energy: -115.790
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: 6, replica: 8
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1464.489756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.489756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.489756 (E_RNA)
where:
Base-Base interactions energy: -1008.649
where: short stacking energy: -422.784
Base-Backbone interact. energy: 0.737
local terms energy: -456.578083
where:
bonds (distance) C4'-P energy: -93.752
bonds (distance) P-C4' energy: -85.393
flat angles C4'-P-C4' energy: -112.836
flat angles P-C4'-P energy: -62.902
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: 6
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1426.207905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.207905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.207905 (E_RNA)
where:
Base-Base interactions energy: -996.984
where: short stacking energy: -419.953
Base-Backbone interact. energy: 2.747
local terms energy: -431.971086
where:
bonds (distance) C4'-P energy: -92.447
bonds (distance) P-C4' energy: -87.625
flat angles C4'-P-C4' energy: -87.035
flat angles P-C4'-P energy: -53.677
tors. eta vs tors. theta energy: -111.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1252.912135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.912135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.912135 (E_RNA)
where:
Base-Base interactions energy: -859.128
where: short stacking energy: -352.207
Base-Backbone interact. energy: 5.078
local terms energy: -398.862006
where:
bonds (distance) C4'-P energy: -90.241
bonds (distance) P-C4' energy: -97.475
flat angles C4'-P-C4' energy: -82.121
flat angles P-C4'-P energy: -58.031
tors. eta vs tors. theta energy: -70.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -967.070044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.070044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.070044 (E_RNA)
where:
Base-Base interactions energy: -631.803
where: short stacking energy: -302.613
Base-Backbone interact. energy: -1.849
local terms energy: -333.417518
where:
bonds (distance) C4'-P energy: -75.229
bonds (distance) P-C4' energy: -91.564
flat angles C4'-P-C4' energy: -82.654
flat angles P-C4'-P energy: -43.100
tors. eta vs tors. theta energy: -40.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -774.246580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.246580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.246580 (E_RNA)
where:
Base-Base interactions energy: -452.606
where: short stacking energy: -242.815
Base-Backbone interact. energy: 4.125
local terms energy: -325.766116
where:
bonds (distance) C4'-P energy: -62.907
bonds (distance) P-C4' energy: -92.451
flat angles C4'-P-C4' energy: -73.679
flat angles P-C4'-P energy: -57.362
tors. eta vs tors. theta energy: -39.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1884.153399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.153399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.153399 (E_RNA)
where:
Base-Base interactions energy: -1342.962
where: short stacking energy: -526.583
Base-Backbone interact. energy: -2.211
local terms energy: -538.979920
where:
bonds (distance) C4'-P energy: -104.699
bonds (distance) P-C4' energy: -105.648
flat angles C4'-P-C4' energy: -108.020
flat angles P-C4'-P energy: -85.822
tors. eta vs tors. theta energy: -134.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1809.982756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.982756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.982756 (E_RNA)
where:
Base-Base interactions energy: -1261.312
where: short stacking energy: -508.152
Base-Backbone interact. energy: -2.738
local terms energy: -545.932914
where:
bonds (distance) C4'-P energy: -106.115
bonds (distance) P-C4' energy: -97.085
flat angles C4'-P-C4' energy: -113.131
flat angles P-C4'-P energy: -86.723
tors. eta vs tors. theta energy: -142.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1701.849260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.849260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.849260 (E_RNA)
where:
Base-Base interactions energy: -1201.786
where: short stacking energy: -471.393
Base-Backbone interact. energy: -2.196
local terms energy: -497.868174
where:
bonds (distance) C4'-P energy: -96.707
bonds (distance) P-C4' energy: -90.456
flat angles C4'-P-C4' energy: -113.332
flat angles P-C4'-P energy: -77.388
tors. eta vs tors. theta energy: -119.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1705.290149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.290149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.290149 (E_RNA)
where:
Base-Base interactions energy: -1201.632
where: short stacking energy: -489.133
Base-Backbone interact. energy: -3.107
local terms energy: -500.550988
where:
bonds (distance) C4'-P energy: -95.685
bonds (distance) P-C4' energy: -97.018
flat angles C4'-P-C4' energy: -103.324
flat angles P-C4'-P energy: -69.069
tors. eta vs tors. theta energy: -135.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1567.170602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.170602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.170602 (E_RNA)
where:
Base-Base interactions energy: -1115.721
where: short stacking energy: -446.694
Base-Backbone interact. energy: -0.649
local terms energy: -450.800781
where:
bonds (distance) C4'-P energy: -96.225
bonds (distance) P-C4' energy: -96.738
flat angles C4'-P-C4' energy: -82.630
flat angles P-C4'-P energy: -55.930
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: 6, replica: 8
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1509.745088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.745088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.745088 (E_RNA)
where:
Base-Base interactions energy: -1072.198
where: short stacking energy: -447.634
Base-Backbone interact. energy: -1.133
local terms energy: -436.413585
where:
bonds (distance) C4'-P energy: -81.612
bonds (distance) P-C4' energy: -90.893
flat angles C4'-P-C4' energy: -95.110
flat angles P-C4'-P energy: -52.478
tors. eta vs tors. theta energy: -116.321
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: 6
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1452.198112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.198112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.198112 (E_RNA)
where:
Base-Base interactions energy: -986.871
where: short stacking energy: -420.069
Base-Backbone interact. energy: -0.964
local terms energy: -464.363516
where:
bonds (distance) C4'-P energy: -95.915
bonds (distance) P-C4' energy: -94.459
flat angles C4'-P-C4' energy: -106.641
flat angles P-C4'-P energy: -56.176
tors. eta vs tors. theta energy: -111.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1243.887098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.887098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.887098 (E_RNA)
where:
Base-Base interactions energy: -872.074
where: short stacking energy: -350.136
Base-Backbone interact. energy: -0.352
local terms energy: -371.461786
where:
bonds (distance) C4'-P energy: -74.114
bonds (distance) P-C4' energy: -86.353
flat angles C4'-P-C4' energy: -85.176
flat angles P-C4'-P energy: -51.199
tors. eta vs tors. theta energy: -74.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -948.366828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.366828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.366828 (E_RNA)
where:
Base-Base interactions energy: -631.723
where: short stacking energy: -265.354
Base-Backbone interact. energy: -0.411
local terms energy: -316.233268
where:
bonds (distance) C4'-P energy: -75.864
bonds (distance) P-C4' energy: -83.732
flat angles C4'-P-C4' energy: -81.681
flat angles P-C4'-P energy: -41.683
tors. eta vs tors. theta energy: -33.273
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: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -755.631159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.631159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.631159 (E_RNA)
where:
Base-Base interactions energy: -473.008
where: short stacking energy: -221.847
Base-Backbone interact. energy: 1.904
local terms energy: -284.527674
where:
bonds (distance) C4'-P energy: -71.047
bonds (distance) P-C4' energy: -100.922
flat angles C4'-P-C4' energy: -59.050
flat angles P-C4'-P energy: -34.196
tors. eta vs tors. theta energy: -19.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1902.176461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.176461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.176461 (E_RNA)
where:
Base-Base interactions energy: -1341.677
where: short stacking energy: -539.107
Base-Backbone interact. energy: -1.957
local terms energy: -558.542554
where:
bonds (distance) C4'-P energy: -105.248
bonds (distance) P-C4' energy: -113.461
flat angles C4'-P-C4' energy: -113.830
flat angles P-C4'-P energy: -84.127
tors. eta vs tors. theta energy: -141.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1778.821083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.821083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.821083 (E_RNA)
where:
Base-Base interactions energy: -1230.976
where: short stacking energy: -505.643
Base-Backbone interact. energy: 0.451
local terms energy: -548.296362
where:
bonds (distance) C4'-P energy: -100.261
bonds (distance) P-C4' energy: -108.509
flat angles C4'-P-C4' energy: -114.086
flat angles P-C4'-P energy: -87.488
tors. eta vs tors. theta energy: -137.951
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: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1675.082238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.082238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.082238 (E_RNA)
where:
Base-Base interactions energy: -1165.651
where: short stacking energy: -484.187
Base-Backbone interact. energy: -0.384
local terms energy: -509.046753
where:
bonds (distance) C4'-P energy: -89.557
bonds (distance) P-C4' energy: -105.333
flat angles C4'-P-C4' energy: -113.162
flat angles P-C4'-P energy: -78.341
tors. eta vs tors. theta energy: -122.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1662.966527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.966527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.966527 (E_RNA)
where:
Base-Base interactions energy: -1148.345
where: short stacking energy: -483.974
Base-Backbone interact. energy: -1.134
local terms energy: -513.487481
where:
bonds (distance) C4'-P energy: -91.160
bonds (distance) P-C4' energy: -95.764
flat angles C4'-P-C4' energy: -117.359
flat angles P-C4'-P energy: -76.498
tors. eta vs tors. theta energy: -132.707
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: 3
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1540.432482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.432482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.432482 (E_RNA)
where:
Base-Base interactions energy: -1081.135
where: short stacking energy: -431.019
Base-Backbone interact. energy: -1.072
local terms energy: -458.225257
where:
bonds (distance) C4'-P energy: -89.154
bonds (distance) P-C4' energy: -94.668
flat angles C4'-P-C4' energy: -109.892
flat angles P-C4'-P energy: -58.770
tors. eta vs tors. theta energy: -105.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1468.858962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.858962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.858962 (E_RNA)
where:
Base-Base interactions energy: -1024.498
where: short stacking energy: -431.401
Base-Backbone interact. energy: 0.016
local terms energy: -444.377127
where:
bonds (distance) C4'-P energy: -79.215
bonds (distance) P-C4' energy: -93.447
flat angles C4'-P-C4' energy: -102.098
flat angles P-C4'-P energy: -62.130
tors. eta vs tors. theta energy: -107.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1374.418673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.418673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.418673 (E_RNA)
where:
Base-Base interactions energy: -937.137
where: short stacking energy: -395.060
Base-Backbone interact. energy: 0.057
local terms energy: -437.338382
where:
bonds (distance) C4'-P energy: -94.131
bonds (distance) P-C4' energy: -95.185
flat angles C4'-P-C4' energy: -98.110
flat angles P-C4'-P energy: -58.418
tors. eta vs tors. theta energy: -91.495
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: 8, replica: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -1255.319297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.319297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.319297 (E_RNA)
where:
Base-Base interactions energy: -842.623
where: short stacking energy: -355.585
Base-Backbone interact. energy: -1.161
local terms energy: -411.535097
where:
bonds (distance) C4'-P energy: -87.616
bonds (distance) P-C4' energy: -92.855
flat angles C4'-P-C4' energy: -95.388
flat angles P-C4'-P energy: -60.408
tors. eta vs tors. theta energy: -75.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -896.377486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.377486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.377486 (E_RNA)
where:
Base-Base interactions energy: -553.578
where: short stacking energy: -272.675
Base-Backbone interact. energy: 1.095
local terms energy: -343.894269
where:
bonds (distance) C4'-P energy: -78.110
bonds (distance) P-C4' energy: -89.531
flat angles C4'-P-C4' energy: -77.927
flat angles P-C4'-P energy: -55.369
tors. eta vs tors. theta energy: -42.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -759.707724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.707724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.707724 (E_RNA)
where:
Base-Base interactions energy: -461.290
where: short stacking energy: -223.466
Base-Backbone interact. energy: 1.210
local terms energy: -299.627012
where:
bonds (distance) C4'-P energy: -79.217
bonds (distance) P-C4' energy: -87.667
flat angles C4'-P-C4' energy: -79.723
flat angles P-C4'-P energy: -35.944
tors. eta vs tors. theta energy: -17.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1941.513765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.513765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.513765 (E_RNA)
where:
Base-Base interactions energy: -1364.193
where: short stacking energy: -545.569
Base-Backbone interact. energy: -4.103
local terms energy: -573.217769
where:
bonds (distance) C4'-P energy: -109.920
bonds (distance) P-C4' energy: -114.876
flat angles C4'-P-C4' energy: -124.087
flat angles P-C4'-P energy: -83.415
tors. eta vs tors. theta energy: -140.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1836.124723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.124723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.124723 (E_RNA)
where:
Base-Base interactions energy: -1272.886
where: short stacking energy: -536.210
Base-Backbone interact. energy: -1.949
local terms energy: -561.289337
where:
bonds (distance) C4'-P energy: -117.430
bonds (distance) P-C4' energy: -101.107
flat angles C4'-P-C4' energy: -113.587
flat angles P-C4'-P energy: -84.671
tors. eta vs tors. theta energy: -144.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1700.904230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.904230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.904230 (E_RNA)
where:
Base-Base interactions energy: -1181.574
where: short stacking energy: -518.685
Base-Backbone interact. energy: -3.624
local terms energy: -515.706066
where:
bonds (distance) C4'-P energy: -93.482
bonds (distance) P-C4' energy: -89.082
flat angles C4'-P-C4' energy: -112.410
flat angles P-C4'-P energy: -86.975
tors. eta vs tors. theta energy: -133.757
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: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1616.499933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.499933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.499933 (E_RNA)
where:
Base-Base interactions energy: -1145.336
where: short stacking energy: -471.445
Base-Backbone interact. energy: -2.266
local terms energy: -468.898257
where:
bonds (distance) C4'-P energy: -83.814
bonds (distance) P-C4' energy: -84.826
flat angles C4'-P-C4' energy: -113.785
flat angles P-C4'-P energy: -60.573
tors. eta vs tors. theta energy: -125.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1538.974954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.974954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.974954 (E_RNA)
where:
Base-Base interactions energy: -1079.439
where: short stacking energy: -458.988
Base-Backbone interact. energy: -0.050
local terms energy: -459.485036
where:
bonds (distance) C4'-P energy: -84.894
bonds (distance) P-C4' energy: -81.420
flat angles C4'-P-C4' energy: -103.451
flat angles P-C4'-P energy: -62.003
tors. eta vs tors. theta energy: -127.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1553.043823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.043823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.043823 (E_RNA)
where:
Base-Base interactions energy: -1096.716
where: short stacking energy: -470.273
Base-Backbone interact. energy: -2.827
local terms energy: -453.500612
where:
bonds (distance) C4'-P energy: -68.752
bonds (distance) P-C4' energy: -90.338
flat angles C4'-P-C4' energy: -107.188
flat angles P-C4'-P energy: -76.687
tors. eta vs tors. theta energy: -110.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1389.957887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.957887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.957887 (E_RNA)
where:
Base-Base interactions energy: -973.356
where: short stacking energy: -407.871
Base-Backbone interact. energy: -3.302
local terms energy: -413.299790
where:
bonds (distance) C4'-P energy: -75.860
bonds (distance) P-C4' energy: -78.302
flat angles C4'-P-C4' energy: -88.282
flat angles P-C4'-P energy: -69.190
tors. eta vs tors. theta energy: -101.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1246.197948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.197948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.197948 (E_RNA)
where:
Base-Base interactions energy: -863.102
where: short stacking energy: -337.528
Base-Backbone interact. energy: -0.492
local terms energy: -382.604403
where:
bonds (distance) C4'-P energy: -76.811
bonds (distance) P-C4' energy: -82.038
flat angles C4'-P-C4' energy: -88.710
flat angles P-C4'-P energy: -65.107
tors. eta vs tors. theta energy: -69.938
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: 9, replica: 10
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -857.900597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.900597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.900597 (E_RNA)
where:
Base-Base interactions energy: -502.760
where: short stacking energy: -245.569
Base-Backbone interact. energy: 1.356
local terms energy: -356.497110
where:
bonds (distance) C4'-P energy: -79.617
bonds (distance) P-C4' energy: -100.993
flat angles C4'-P-C4' energy: -81.160
flat angles P-C4'-P energy: -59.400
tors. eta vs tors. theta energy: -35.327
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: 82
Temperature: 1.350000
Total energy: -741.768984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.768984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.768984 (E_RNA)
where:
Base-Base interactions energy: -459.525
where: short stacking energy: -230.706
Base-Backbone interact. energy: 0.414
local terms energy: -282.658387
where:
bonds (distance) C4'-P energy: -71.690
bonds (distance) P-C4' energy: -74.714
flat angles C4'-P-C4' energy: -71.822
flat angles P-C4'-P energy: -46.103
tors. eta vs tors. theta energy: -18.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1904.315736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.315736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.315736 (E_RNA)
where:
Base-Base interactions energy: -1347.227
where: short stacking energy: -545.696
Base-Backbone interact. energy: -2.397
local terms energy: -554.691510
where:
bonds (distance) C4'-P energy: -98.693
bonds (distance) P-C4' energy: -100.904
flat angles C4'-P-C4' energy: -125.025
flat angles P-C4'-P energy: -88.289
tors. eta vs tors. theta energy: -141.780
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: 83
Temperature: 0.950000
Total energy: -1835.040509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.040509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.040509 (E_RNA)
where:
Base-Base interactions energy: -1304.879
where: short stacking energy: -537.061
Base-Backbone interact. energy: -4.531
local terms energy: -525.630409
where:
bonds (distance) C4'-P energy: -102.719
bonds (distance) P-C4' energy: -100.478
flat angles C4'-P-C4' energy: -110.790
flat angles P-C4'-P energy: -65.310
tors. eta vs tors. theta energy: -146.334
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: 3, replica: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1777.083956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.083956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.083956 (E_RNA)
where:
Base-Base interactions energy: -1238.186
where: short stacking energy: -531.478
Base-Backbone interact. energy: -3.889
local terms energy: -535.008958
where:
bonds (distance) C4'-P energy: -82.306
bonds (distance) P-C4' energy: -102.177
flat angles C4'-P-C4' energy: -111.551
flat angles P-C4'-P energy: -80.206
tors. eta vs tors. theta energy: -158.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1603.368602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.368602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.368602 (E_RNA)
where:
Base-Base interactions energy: -1084.539
where: short stacking energy: -436.894
Base-Backbone interact. energy: -0.773
local terms energy: -518.056675
where:
bonds (distance) C4'-P energy: -94.636
bonds (distance) P-C4' energy: -107.143
flat angles C4'-P-C4' energy: -119.587
flat angles P-C4'-P energy: -74.400
tors. eta vs tors. theta energy: -122.291
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: 83
Temperature: 1.100000
Total energy: -1535.167095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.167095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.167095 (E_RNA)
where:
Base-Base interactions energy: -1043.852
where: short stacking energy: -423.754
Base-Backbone interact. energy: -4.636
local terms energy: -486.679542
where:
bonds (distance) C4'-P energy: -77.422
bonds (distance) P-C4' energy: -99.400
flat angles C4'-P-C4' energy: -114.286
flat angles P-C4'-P energy: -73.868
tors. eta vs tors. theta energy: -121.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1528.305593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.305593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.305593 (E_RNA)
where:
Base-Base interactions energy: -1081.216
where: short stacking energy: -444.673
Base-Backbone interact. energy: -1.823
local terms energy: -445.266974
where:
bonds (distance) C4'-P energy: -85.876
bonds (distance) P-C4' energy: -79.839
flat angles C4'-P-C4' energy: -98.203
flat angles P-C4'-P energy: -70.793
tors. eta vs tors. theta energy: -110.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1398.467699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.467699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.467699 (E_RNA)
where:
Base-Base interactions energy: -967.283
where: short stacking energy: -410.470
Base-Backbone interact. energy: -1.524
local terms energy: -429.659750
where:
bonds (distance) C4'-P energy: -88.567
bonds (distance) P-C4' energy: -85.706
flat angles C4'-P-C4' energy: -91.289
flat angles P-C4'-P energy: -59.462
tors. eta vs tors. theta energy: -104.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1224.698022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.698022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.698022 (E_RNA)
where:
Base-Base interactions energy: -827.516
where: short stacking energy: -320.358
Base-Backbone interact. energy: -4.445
local terms energy: -392.737037
where:
bonds (distance) C4'-P energy: -105.356
bonds (distance) P-C4' energy: -76.159
flat angles C4'-P-C4' energy: -89.931
flat angles P-C4'-P energy: -57.962
tors. eta vs tors. theta energy: -63.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -826.260442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.260442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.260442 (E_RNA)
where:
Base-Base interactions energy: -481.949
where: short stacking energy: -265.206
Base-Backbone interact. energy: -2.801
local terms energy: -341.510723
where:
bonds (distance) C4'-P energy: -65.032
bonds (distance) P-C4' energy: -87.628
flat angles C4'-P-C4' energy: -90.501
flat angles P-C4'-P energy: -44.839
tors. eta vs tors. theta energy: -53.509
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: 10, replica: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -745.091138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.091138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.091138 (E_RNA)
where:
Base-Base interactions energy: -448.414
where: short stacking energy: -215.581
Base-Backbone interact. energy: -2.590
local terms energy: -294.087467
where:
bonds (distance) C4'-P energy: -84.757
bonds (distance) P-C4' energy: -76.431
flat angles C4'-P-C4' energy: -63.585
flat angles P-C4'-P energy: -54.380
tors. eta vs tors. theta energy: -14.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1901.551720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.551720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.551720 (E_RNA)
where:
Base-Base interactions energy: -1339.127
where: short stacking energy: -542.509
Base-Backbone interact. energy: -4.717
local terms energy: -557.707938
where:
bonds (distance) C4'-P energy: -85.467
bonds (distance) P-C4' energy: -112.245
flat angles C4'-P-C4' energy: -121.290
flat angles P-C4'-P energy: -83.604
tors. eta vs tors. theta energy: -155.102
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: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1837.946228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.946228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.946228 (E_RNA)
where:
Base-Base interactions energy: -1300.169
where: short stacking energy: -523.350
Base-Backbone interact. energy: -0.678
local terms energy: -537.099362
where:
bonds (distance) C4'-P energy: -88.437
bonds (distance) P-C4' energy: -102.976
flat angles C4'-P-C4' energy: -115.623
flat angles P-C4'-P energy: -85.422
tors. eta vs tors. theta energy: -144.641
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: 3, replica: 4
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1780.776876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.776876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.776876 (E_RNA)
where:
Base-Base interactions energy: -1222.966
where: short stacking energy: -524.893
Base-Backbone interact. energy: -4.509
local terms energy: -553.301959
where:
bonds (distance) C4'-P energy: -103.364
bonds (distance) P-C4' energy: -105.021
flat angles C4'-P-C4' energy: -121.722
flat angles P-C4'-P energy: -70.802
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: 4, replica: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1608.903395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.903395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.903395 (E_RNA)
where:
Base-Base interactions energy: -1137.846
where: short stacking energy: -489.726
Base-Backbone interact. energy: -0.499
local terms energy: -470.558162
where:
bonds (distance) C4'-P energy: -74.521
bonds (distance) P-C4' energy: -97.699
flat angles C4'-P-C4' energy: -101.604
flat angles P-C4'-P energy: -66.533
tors. eta vs tors. theta energy: -130.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1568.596889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.596889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.596889 (E_RNA)
where:
Base-Base interactions energy: -1080.072
where: short stacking energy: -465.649
Base-Backbone interact. energy: -0.177
local terms energy: -488.347902
where:
bonds (distance) C4'-P energy: -87.074
bonds (distance) P-C4' energy: -78.528
flat angles C4'-P-C4' energy: -115.369
flat angles P-C4'-P energy: -74.579
tors. eta vs tors. theta energy: -132.798
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: 8
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1503.294915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.294915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.294915 (E_RNA)
where:
Base-Base interactions energy: -1050.986
where: short stacking energy: -450.447
Base-Backbone interact. energy: -0.108
local terms energy: -452.200485
where:
bonds (distance) C4'-P energy: -93.020
bonds (distance) P-C4' energy: -89.573
flat angles C4'-P-C4' energy: -93.908
flat angles P-C4'-P energy: -60.927
tors. eta vs tors. theta energy: -114.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1397.071837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.071837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.071837 (E_RNA)
where:
Base-Base interactions energy: -946.720
where: short stacking energy: -395.206
Base-Backbone interact. energy: 0.574
local terms energy: -450.925847
where:
bonds (distance) C4'-P energy: -75.817
bonds (distance) P-C4' energy: -93.942
flat angles C4'-P-C4' energy: -104.027
flat angles P-C4'-P energy: -73.933
tors. eta vs tors. theta energy: -103.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1243.726596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.726596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.726596 (E_RNA)
where:
Base-Base interactions energy: -854.292
where: short stacking energy: -326.250
Base-Backbone interact. energy: -0.557
local terms energy: -388.878153
where:
bonds (distance) C4'-P energy: -87.873
bonds (distance) P-C4' energy: -88.645
flat angles C4'-P-C4' energy: -93.536
flat angles P-C4'-P energy: -53.187
tors. eta vs tors. theta energy: -65.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -839.738680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.738680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.738680 (E_RNA)
where:
Base-Base interactions energy: -523.114
where: short stacking energy: -253.758
Base-Backbone interact. energy: 3.048
local terms energy: -319.672772
where:
bonds (distance) C4'-P energy: -75.861
bonds (distance) P-C4' energy: -83.915
flat angles C4'-P-C4' energy: -85.624
flat angles P-C4'-P energy: -47.906
tors. eta vs tors. theta energy: -26.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -671.347782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.347782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.347782 (E_RNA)
where:
Base-Base interactions energy: -386.894
where: short stacking energy: -203.935
Base-Backbone interact. energy: -0.611
local terms energy: -283.843056
where:
bonds (distance) C4'-P energy: -68.284
bonds (distance) P-C4' energy: -99.605
flat angles C4'-P-C4' energy: -89.023
flat angles P-C4'-P energy: -28.051
tors. eta vs tors. theta energy: 1.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1922.254285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.254285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.254285 (E_RNA)
where:
Base-Base interactions energy: -1383.727
where: short stacking energy: -549.119
Base-Backbone interact. energy: -3.716
local terms energy: -534.811549
where:
bonds (distance) C4'-P energy: -102.746
bonds (distance) P-C4' energy: -104.568
flat angles C4'-P-C4' energy: -102.559
flat angles P-C4'-P energy: -88.514
tors. eta vs tors. theta energy: -136.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1838.862894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.862894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.862894 (E_RNA)
where:
Base-Base interactions energy: -1327.028
where: short stacking energy: -541.909
Base-Backbone interact. energy: -1.424
local terms energy: -510.411563
where:
bonds (distance) C4'-P energy: -92.093
bonds (distance) P-C4' energy: -99.733
flat angles C4'-P-C4' energy: -105.947
flat angles P-C4'-P energy: -69.088
tors. eta vs tors. theta energy: -143.550
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: 4
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1729.853905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.853905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.853905 (E_RNA)
where:
Base-Base interactions energy: -1208.703
where: short stacking energy: -511.376
Base-Backbone interact. energy: 1.794
local terms energy: -522.944395
where:
bonds (distance) C4'-P energy: -93.614
bonds (distance) P-C4' energy: -101.630
flat angles C4'-P-C4' energy: -111.217
flat angles P-C4'-P energy: -80.289
tors. eta vs tors. theta energy: -136.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1598.180185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.180185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.180185 (E_RNA)
where:
Base-Base interactions energy: -1107.643
where: short stacking energy: -458.543
Base-Backbone interact. energy: 3.059
local terms energy: -493.596249
where:
bonds (distance) C4'-P energy: -96.336
bonds (distance) P-C4' energy: -98.828
flat angles C4'-P-C4' energy: -108.893
flat angles P-C4'-P energy: -72.876
tors. eta vs tors. theta energy: -116.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1602.406907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.406907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.406907 (E_RNA)
where:
Base-Base interactions energy: -1113.160
where: short stacking energy: -458.324
Base-Backbone interact. energy: -0.181
local terms energy: -489.066085
where:
bonds (distance) C4'-P energy: -95.664
bonds (distance) P-C4' energy: -88.464
flat angles C4'-P-C4' energy: -97.865
flat angles P-C4'-P energy: -75.972
tors. eta vs tors. theta energy: -131.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1455.530332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.530332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.530332 (E_RNA)
where:
Base-Base interactions energy: -1012.066
where: short stacking energy: -437.621
Base-Backbone interact. energy: 1.513
local terms energy: -444.977565
where:
bonds (distance) C4'-P energy: -80.994
bonds (distance) P-C4' energy: -90.933
flat angles C4'-P-C4' energy: -105.960
flat angles P-C4'-P energy: -54.975
tors. eta vs tors. theta energy: -112.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1417.904530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.904530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.904530 (E_RNA)
where:
Base-Base interactions energy: -973.110
where: short stacking energy: -392.433
Base-Backbone interact. energy: -2.309
local terms energy: -442.485144
where:
bonds (distance) C4'-P energy: -90.258
bonds (distance) P-C4' energy: -92.872
flat angles C4'-P-C4' energy: -91.089
flat angles P-C4'-P energy: -74.699
tors. eta vs tors. theta energy: -93.566
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: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1252.523827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.523827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.523827 (E_RNA)
where:
Base-Base interactions energy: -841.681
where: short stacking energy: -352.529
Base-Backbone interact. energy: 2.724
local terms energy: -413.566215
where:
bonds (distance) C4'-P energy: -84.781
bonds (distance) P-C4' energy: -93.789
flat angles C4'-P-C4' energy: -95.107
flat angles P-C4'-P energy: -62.824
tors. eta vs tors. theta energy: -77.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -790.901454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.901454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.901454 (E_RNA)
where:
Base-Base interactions energy: -466.748
where: short stacking energy: -224.215
Base-Backbone interact. energy: 2.892
local terms energy: -327.045331
where:
bonds (distance) C4'-P energy: -72.873
bonds (distance) P-C4' energy: -103.574
flat angles C4'-P-C4' energy: -65.882
flat angles P-C4'-P energy: -60.084
tors. eta vs tors. theta energy: -24.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -646.071529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.071529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.071529 (E_RNA)
where:
Base-Base interactions energy: -339.681
where: short stacking energy: -180.546
Base-Backbone interact. energy: -0.101
local terms energy: -306.289589
where:
bonds (distance) C4'-P energy: -88.672
bonds (distance) P-C4' energy: -98.205
flat angles C4'-P-C4' energy: -71.282
flat angles P-C4'-P energy: -41.513
tors. eta vs tors. theta energy: -6.616
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: 86
Temperature: 0.900000
Total energy: -1914.556388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.556388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.556388 (E_RNA)
where:
Base-Base interactions energy: -1389.292
where: short stacking energy: -543.405
Base-Backbone interact. energy: -2.174
local terms energy: -523.090418
where:
bonds (distance) C4'-P energy: -93.656
bonds (distance) P-C4' energy: -96.929
flat angles C4'-P-C4' energy: -116.282
flat angles P-C4'-P energy: -84.100
tors. eta vs tors. theta energy: -132.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1807.931095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.931095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.931095 (E_RNA)
where:
Base-Base interactions energy: -1270.194
where: short stacking energy: -508.787
Base-Backbone interact. energy: -0.950
local terms energy: -536.787161
where:
bonds (distance) C4'-P energy: -109.664
bonds (distance) P-C4' energy: -92.566
flat angles C4'-P-C4' energy: -118.784
flat angles P-C4'-P energy: -74.133
tors. eta vs tors. theta energy: -141.641
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: 3, replica: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1728.751790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.751790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.751790 (E_RNA)
where:
Base-Base interactions energy: -1192.147
where: short stacking energy: -517.089
Base-Backbone interact. energy: 1.753
local terms energy: -538.358467
where:
bonds (distance) C4'-P energy: -100.186
bonds (distance) P-C4' energy: -107.674
flat angles C4'-P-C4' energy: -111.156
flat angles P-C4'-P energy: -77.156
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: 86
Temperature: 1.050000
Total energy: -1627.094873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.094873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.094873 (E_RNA)
where:
Base-Base interactions energy: -1128.363
where: short stacking energy: -465.478
Base-Backbone interact. energy: 3.030
local terms energy: -501.761920
where:
bonds (distance) C4'-P energy: -98.373
bonds (distance) P-C4' energy: -104.284
flat angles C4'-P-C4' energy: -105.666
flat angles P-C4'-P energy: -74.965
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: 5, replica: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1546.191609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.191609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.191609 (E_RNA)
where:
Base-Base interactions energy: -1099.512
where: short stacking energy: -468.273
Base-Backbone interact. energy: -0.573
local terms energy: -446.106545
where:
bonds (distance) C4'-P energy: -82.982
bonds (distance) P-C4' energy: -73.418
flat angles C4'-P-C4' energy: -112.417
flat angles P-C4'-P energy: -70.153
tors. eta vs tors. theta energy: -107.136
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: 6, replica: 6
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1456.876875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.876875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.876875 (E_RNA)
where:
Base-Base interactions energy: -991.209
where: short stacking energy: -432.550
Base-Backbone interact. energy: -4.101
local terms energy: -461.567234
where:
bonds (distance) C4'-P energy: -75.021
bonds (distance) P-C4' energy: -98.651
flat angles C4'-P-C4' energy: -107.895
flat angles P-C4'-P energy: -74.558
tors. eta vs tors. theta energy: -105.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1393.489971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.489971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.489971 (E_RNA)
where:
Base-Base interactions energy: -982.409
where: short stacking energy: -383.983
Base-Backbone interact. energy: 2.598
local terms energy: -413.678160
where:
bonds (distance) C4'-P energy: -88.479
bonds (distance) P-C4' energy: -79.172
flat angles C4'-P-C4' energy: -103.192
flat angles P-C4'-P energy: -58.093
tors. eta vs tors. theta energy: -84.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1230.815215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.815215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.815215 (E_RNA)
where:
Base-Base interactions energy: -836.610
where: short stacking energy: -346.691
Base-Backbone interact. energy: -0.878
local terms energy: -393.326950
where:
bonds (distance) C4'-P energy: -75.055
bonds (distance) P-C4' energy: -87.474
flat angles C4'-P-C4' energy: -97.687
flat angles P-C4'-P energy: -54.963
tors. eta vs tors. theta energy: -78.147
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: 10
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -819.401177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.401177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.401177 (E_RNA)
where:
Base-Base interactions energy: -521.932
where: short stacking energy: -244.361
Base-Backbone interact. energy: 1.829
local terms energy: -299.298270
where:
bonds (distance) C4'-P energy: -85.476
bonds (distance) P-C4' energy: -93.376
flat angles C4'-P-C4' energy: -63.485
flat angles P-C4'-P energy: -41.250
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -634.468582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.468582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.468582 (E_RNA)
where:
Base-Base interactions energy: -330.075
where: short stacking energy: -166.233
Base-Backbone interact. energy: 0.385
local terms energy: -304.778681
where:
bonds (distance) C4'-P energy: -75.668
bonds (distance) P-C4' energy: -92.221
flat angles C4'-P-C4' energy: -82.827
flat angles P-C4'-P energy: -54.400
tors. eta vs tors. theta energy: 0.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1901.682930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.682930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.682930 (E_RNA)
where:
Base-Base interactions energy: -1347.653
where: short stacking energy: -536.179
Base-Backbone interact. energy: -4.135
local terms energy: -549.895578
where:
bonds (distance) C4'-P energy: -109.003
bonds (distance) P-C4' energy: -105.482
flat angles C4'-P-C4' energy: -114.370
flat angles P-C4'-P energy: -81.071
tors. eta vs tors. theta energy: -139.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1788.433377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.433377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.433377 (E_RNA)
where:
Base-Base interactions energy: -1286.361
where: short stacking energy: -502.848
Base-Backbone interact. energy: -2.710
local terms energy: -499.362499
where:
bonds (distance) C4'-P energy: -102.159
bonds (distance) P-C4' energy: -99.452
flat angles C4'-P-C4' energy: -94.871
flat angles P-C4'-P energy: -68.449
tors. eta vs tors. theta energy: -134.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1714.164923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.164923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.164923 (E_RNA)
where:
Base-Base interactions energy: -1196.891
where: short stacking energy: -527.737
Base-Backbone interact. energy: 0.869
local terms energy: -518.143079
where:
bonds (distance) C4'-P energy: -88.433
bonds (distance) P-C4' energy: -86.660
flat angles C4'-P-C4' energy: -110.048
flat angles P-C4'-P energy: -80.103
tors. eta vs tors. theta energy: -152.899
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: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1654.863764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.863764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.863764 (E_RNA)
where:
Base-Base interactions energy: -1147.188
where: short stacking energy: -480.427
Base-Backbone interact. energy: -0.133
local terms energy: -507.542774
where:
bonds (distance) C4'-P energy: -93.410
bonds (distance) P-C4' energy: -96.863
flat angles C4'-P-C4' energy: -114.001
flat angles P-C4'-P energy: -73.314
tors. eta vs tors. theta energy: -129.955
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: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1528.948017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.948017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.948017 (E_RNA)
where:
Base-Base interactions energy: -1053.802
where: short stacking energy: -449.648
Base-Backbone interact. energy: -1.756
local terms energy: -473.390228
where:
bonds (distance) C4'-P energy: -77.219
bonds (distance) P-C4' energy: -99.305
flat angles C4'-P-C4' energy: -105.099
flat angles P-C4'-P energy: -76.139
tors. eta vs tors. theta energy: -115.627
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: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1479.650367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.650367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.650367 (E_RNA)
where:
Base-Base interactions energy: -1042.849
where: short stacking energy: -447.603
Base-Backbone interact. energy: -2.030
local terms energy: -434.770857
where:
bonds (distance) C4'-P energy: -77.064
bonds (distance) P-C4' energy: -87.626
flat angles C4'-P-C4' energy: -103.315
flat angles P-C4'-P energy: -54.569
tors. eta vs tors. theta energy: -112.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1409.153970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.153970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.153970 (E_RNA)
where:
Base-Base interactions energy: -974.604
where: short stacking energy: -399.409
Base-Backbone interact. energy: -0.757
local terms energy: -433.793274
where:
bonds (distance) C4'-P energy: -76.562
bonds (distance) P-C4' energy: -89.762
flat angles C4'-P-C4' energy: -89.670
flat angles P-C4'-P energy: -72.852
tors. eta vs tors. theta energy: -104.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1185.061172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.061172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.061172 (E_RNA)
where:
Base-Base interactions energy: -785.778
where: short stacking energy: -315.149
Base-Backbone interact. energy: -2.605
local terms energy: -396.678531
where:
bonds (distance) C4'-P energy: -78.911
bonds (distance) P-C4' energy: -91.115
flat angles C4'-P-C4' energy: -90.759
flat angles P-C4'-P energy: -60.610
tors. eta vs tors. theta energy: -75.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -826.074765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.074765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.074765 (E_RNA)
where:
Base-Base interactions energy: -501.286
where: short stacking energy: -228.266
Base-Backbone interact. energy: 0.369
local terms energy: -325.157207
where:
bonds (distance) C4'-P energy: -85.497
bonds (distance) P-C4' energy: -101.758
flat angles C4'-P-C4' energy: -89.832
flat angles P-C4'-P energy: -32.483
tors. eta vs tors. theta energy: -15.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -673.860508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.860508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.860508 (E_RNA)
where:
Base-Base interactions energy: -380.483
where: short stacking energy: -199.935
Base-Backbone interact. energy: -3.365
local terms energy: -290.012398
where:
bonds (distance) C4'-P energy: -70.345
bonds (distance) P-C4' energy: -88.712
flat angles C4'-P-C4' energy: -74.263
flat angles P-C4'-P energy: -45.472
tors. eta vs tors. theta energy: -11.221
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: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1933.625815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.625815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.625815 (E_RNA)
where:
Base-Base interactions energy: -1367.494
where: short stacking energy: -548.514
Base-Backbone interact. energy: -4.358
local terms energy: -561.773725
where:
bonds (distance) C4'-P energy: -92.691
bonds (distance) P-C4' energy: -120.722
flat angles C4'-P-C4' energy: -110.557
flat angles P-C4'-P energy: -85.375
tors. eta vs tors. theta energy: -152.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1794.144947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.144947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.144947 (E_RNA)
where:
Base-Base interactions energy: -1284.394
where: short stacking energy: -502.968
Base-Backbone interact. energy: 2.051
local terms energy: -511.801939
where:
bonds (distance) C4'-P energy: -96.708
bonds (distance) P-C4' energy: -114.671
flat angles C4'-P-C4' energy: -111.474
flat angles P-C4'-P energy: -62.235
tors. eta vs tors. theta energy: -126.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1735.325883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.325883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.325883 (E_RNA)
where:
Base-Base interactions energy: -1211.038
where: short stacking energy: -482.295
Base-Backbone interact. energy: -0.870
local terms energy: -523.418249
where:
bonds (distance) C4'-P energy: -96.552
bonds (distance) P-C4' energy: -106.353
flat angles C4'-P-C4' energy: -107.538
flat angles P-C4'-P energy: -78.070
tors. eta vs tors. theta energy: -134.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1658.022610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.022610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.022610 (E_RNA)
where:
Base-Base interactions energy: -1149.661
where: short stacking energy: -511.877
Base-Backbone interact. energy: 1.924
local terms energy: -510.286066
where:
bonds (distance) C4'-P energy: -93.490
bonds (distance) P-C4' energy: -92.158
flat angles C4'-P-C4' energy: -110.484
flat angles P-C4'-P energy: -73.969
tors. eta vs tors. theta energy: -140.185
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: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1543.023190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.023190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.023190 (E_RNA)
where:
Base-Base interactions energy: -1078.952
where: short stacking energy: -429.644
Base-Backbone interact. energy: -1.378
local terms energy: -462.693675
where:
bonds (distance) C4'-P energy: -79.063
bonds (distance) P-C4' energy: -107.999
flat angles C4'-P-C4' energy: -103.094
flat angles P-C4'-P energy: -60.515
tors. eta vs tors. theta energy: -112.024
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: 6
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1447.310703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.310703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.310703 (E_RNA)
where:
Base-Base interactions energy: -1016.550
where: short stacking energy: -397.497
Base-Backbone interact. energy: 5.640
local terms energy: -436.400710
where:
bonds (distance) C4'-P energy: -91.270
bonds (distance) P-C4' energy: -99.700
flat angles C4'-P-C4' energy: -103.284
flat angles P-C4'-P energy: -57.452
tors. eta vs tors. theta energy: -84.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1387.826805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.826805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.826805 (E_RNA)
where:
Base-Base interactions energy: -957.886
where: short stacking energy: -375.128
Base-Backbone interact. energy: -3.482
local terms energy: -426.458925
where:
bonds (distance) C4'-P energy: -76.896
bonds (distance) P-C4' energy: -99.127
flat angles C4'-P-C4' energy: -93.345
flat angles P-C4'-P energy: -66.275
tors. eta vs tors. theta energy: -90.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1187.375463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.375463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.375463 (E_RNA)
where:
Base-Base interactions energy: -795.689
where: short stacking energy: -323.524
Base-Backbone interact. energy: -0.127
local terms energy: -391.559785
where:
bonds (distance) C4'-P energy: -85.149
bonds (distance) P-C4' energy: -86.443
flat angles C4'-P-C4' energy: -97.699
flat angles P-C4'-P energy: -56.046
tors. eta vs tors. theta energy: -66.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -785.370699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.370699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.370699 (E_RNA)
where:
Base-Base interactions energy: -457.540
where: short stacking energy: -223.284
Base-Backbone interact. energy: -0.185
local terms energy: -327.645837
where:
bonds (distance) C4'-P energy: -72.854
bonds (distance) P-C4' energy: -94.390
flat angles C4'-P-C4' energy: -74.489
flat angles P-C4'-P energy: -65.644
tors. eta vs tors. theta energy: -20.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -645.322665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.322665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.322665 (E_RNA)
where:
Base-Base interactions energy: -342.578
where: short stacking energy: -173.666
Base-Backbone interact. energy: 3.684
local terms energy: -306.428780
where:
bonds (distance) C4'-P energy: -81.019
bonds (distance) P-C4' energy: -86.530
flat angles C4'-P-C4' energy: -80.645
flat angles P-C4'-P energy: -50.969
tors. eta vs tors. theta energy: -7.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1920.406118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.406118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.406118 (E_RNA)
where:
Base-Base interactions energy: -1352.515
where: short stacking energy: -546.468
Base-Backbone interact. energy: -3.563
local terms energy: -564.327955
where:
bonds (distance) C4'-P energy: -108.511
bonds (distance) P-C4' energy: -103.478
flat angles C4'-P-C4' energy: -118.544
flat angles P-C4'-P energy: -86.190
tors. eta vs tors. theta energy: -147.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1807.846507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.846507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.846507 (E_RNA)
where:
Base-Base interactions energy: -1303.110
where: short stacking energy: -509.602
Base-Backbone interact. energy: -1.014
local terms energy: -503.722809
where:
bonds (distance) C4'-P energy: -94.835
bonds (distance) P-C4' energy: -96.851
flat angles C4'-P-C4' energy: -106.893
flat angles P-C4'-P energy: -72.070
tors. eta vs tors. theta energy: -133.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1750.283305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.283305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.283305 (E_RNA)
where:
Base-Base interactions energy: -1225.598
where: short stacking energy: -552.813
Base-Backbone interact. energy: -1.088
local terms energy: -523.597407
where:
bonds (distance) C4'-P energy: -95.219
bonds (distance) P-C4' energy: -93.666
flat angles C4'-P-C4' energy: -113.980
flat angles P-C4'-P energy: -81.974
tors. eta vs tors. theta energy: -138.758
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: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1640.514648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.514648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.514648 (E_RNA)
where:
Base-Base interactions energy: -1137.514
where: short stacking energy: -469.618
Base-Backbone interact. energy: -1.065
local terms energy: -501.935459
where:
bonds (distance) C4'-P energy: -92.078
bonds (distance) P-C4' energy: -97.250
flat angles C4'-P-C4' energy: -124.233
flat angles P-C4'-P energy: -66.476
tors. eta vs tors. theta energy: -121.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1553.879491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.879491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.879491 (E_RNA)
where:
Base-Base interactions energy: -1067.261
where: short stacking energy: -446.418
Base-Backbone interact. energy: -2.044
local terms energy: -484.574900
where:
bonds (distance) C4'-P energy: -89.959
bonds (distance) P-C4' energy: -93.137
flat angles C4'-P-C4' energy: -112.134
flat angles P-C4'-P energy: -65.906
tors. eta vs tors. theta energy: -123.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1413.712946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.712946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.712946 (E_RNA)
where:
Base-Base interactions energy: -971.106
where: short stacking energy: -413.408
Base-Backbone interact. energy: -1.237
local terms energy: -441.369942
where:
bonds (distance) C4'-P energy: -76.328
bonds (distance) P-C4' energy: -98.269
flat angles C4'-P-C4' energy: -107.487
flat angles P-C4'-P energy: -63.169
tors. eta vs tors. theta energy: -96.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1369.448664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.448664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.448664 (E_RNA)
where:
Base-Base interactions energy: -969.160
where: short stacking energy: -388.303
Base-Backbone interact. energy: -3.064
local terms energy: -397.225563
where:
bonds (distance) C4'-P energy: -82.627
bonds (distance) P-C4' energy: -73.574
flat angles C4'-P-C4' energy: -95.170
flat angles P-C4'-P energy: -56.708
tors. eta vs tors. theta energy: -89.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1185.895326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.895326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.895326 (E_RNA)
where:
Base-Base interactions energy: -773.876
where: short stacking energy: -330.723
Base-Backbone interact. energy: -2.366
local terms energy: -409.653720
where:
bonds (distance) C4'-P energy: -84.041
bonds (distance) P-C4' energy: -99.115
flat angles C4'-P-C4' energy: -98.590
flat angles P-C4'-P energy: -60.738
tors. eta vs tors. theta energy: -67.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -837.213082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.213082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.213082 (E_RNA)
where:
Base-Base interactions energy: -517.830
where: short stacking energy: -229.942
Base-Backbone interact. energy: 1.478
local terms energy: -320.861551
where:
bonds (distance) C4'-P energy: -82.092
bonds (distance) P-C4' energy: -81.871
flat angles C4'-P-C4' energy: -96.228
flat angles P-C4'-P energy: -41.582
tors. eta vs tors. theta energy: -19.090
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: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -655.223996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.223996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.223996 (E_RNA)
where:
Base-Base interactions energy: -349.327
where: short stacking energy: -167.263
Base-Backbone interact. energy: 0.223
local terms energy: -306.120908
where:
bonds (distance) C4'-P energy: -77.241
bonds (distance) P-C4' energy: -95.791
flat angles C4'-P-C4' energy: -64.657
flat angles P-C4'-P energy: -68.002
tors. eta vs tors. theta energy: -0.429
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: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1947.246930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.246930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.246930 (E_RNA)
where:
Base-Base interactions energy: -1390.637
where: short stacking energy: -552.462
Base-Backbone interact. energy: -4.286
local terms energy: -552.324251
where:
bonds (distance) C4'-P energy: -116.208
bonds (distance) P-C4' energy: -109.413
flat angles C4'-P-C4' energy: -114.498
flat angles P-C4'-P energy: -71.175
tors. eta vs tors. theta energy: -141.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1802.135915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.135915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.135915 (E_RNA)
where:
Base-Base interactions energy: -1276.667
where: short stacking energy: -508.984
Base-Backbone interact. energy: -1.827
local terms energy: -523.642035
where:
bonds (distance) C4'-P energy: -94.286
bonds (distance) P-C4' energy: -110.214
flat angles C4'-P-C4' energy: -111.466
flat angles P-C4'-P energy: -67.400
tors. eta vs tors. theta energy: -140.275
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: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1722.584751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.584751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.584751 (E_RNA)
where:
Base-Base interactions energy: -1201.383
where: short stacking energy: -495.499
Base-Backbone interact. energy: -1.697
local terms energy: -519.504370
where:
bonds (distance) C4'-P energy: -106.439
bonds (distance) P-C4' energy: -92.877
flat angles C4'-P-C4' energy: -104.590
flat angles P-C4'-P energy: -77.997
tors. eta vs tors. theta energy: -137.601
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: 90
Temperature: 1.050000
Total energy: -1677.308657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.308657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.308657 (E_RNA)
where:
Base-Base interactions energy: -1173.710
where: short stacking energy: -483.004
Base-Backbone interact. energy: -3.560
local terms energy: -500.038361
where:
bonds (distance) C4'-P energy: -78.234
bonds (distance) P-C4' energy: -104.313
flat angles C4'-P-C4' energy: -116.543
flat angles P-C4'-P energy: -76.777
tors. eta vs tors. theta energy: -124.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1533.821070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.821070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.821070 (E_RNA)
where:
Base-Base interactions energy: -1039.700
where: short stacking energy: -441.231
Base-Backbone interact. energy: -3.018
local terms energy: -491.103104
where:
bonds (distance) C4'-P energy: -99.334
bonds (distance) P-C4' energy: -96.924
flat angles C4'-P-C4' energy: -111.317
flat angles P-C4'-P energy: -59.705
tors. eta vs tors. theta energy: -123.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1429.784718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.784718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.784718 (E_RNA)
where:
Base-Base interactions energy: -992.005
where: short stacking energy: -419.781
Base-Backbone interact. energy: 3.495
local terms energy: -441.274083
where:
bonds (distance) C4'-P energy: -91.918
bonds (distance) P-C4' energy: -75.121
flat angles C4'-P-C4' energy: -105.556
flat angles P-C4'-P energy: -70.825
tors. eta vs tors. theta energy: -97.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1411.005780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.005780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.005780 (E_RNA)
where:
Base-Base interactions energy: -997.645
where: short stacking energy: -400.762
Base-Backbone interact. energy: -1.203
local terms energy: -412.158059
where:
bonds (distance) C4'-P energy: -87.456
bonds (distance) P-C4' energy: -87.312
flat angles C4'-P-C4' energy: -89.382
flat angles P-C4'-P energy: -60.734
tors. eta vs tors. theta energy: -87.274
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: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1232.487531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.487531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.487531 (E_RNA)
where:
Base-Base interactions energy: -822.771
where: short stacking energy: -356.116
Base-Backbone interact. energy: 0.018
local terms energy: -409.733752
where:
bonds (distance) C4'-P energy: -85.424
bonds (distance) P-C4' energy: -84.459
flat angles C4'-P-C4' energy: -82.405
flat angles P-C4'-P energy: -77.841
tors. eta vs tors. theta energy: -79.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -878.968601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.968601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.968601 (E_RNA)
where:
Base-Base interactions energy: -539.616
where: short stacking energy: -240.982
Base-Backbone interact. energy: -1.266
local terms energy: -338.086582
where:
bonds (distance) C4'-P energy: -87.238
bonds (distance) P-C4' energy: -101.710
flat angles C4'-P-C4' energy: -87.462
flat angles P-C4'-P energy: -45.265
tors. eta vs tors. theta energy: -16.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -673.818800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.818800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.818800 (E_RNA)
where:
Base-Base interactions energy: -384.335
where: short stacking energy: -174.628
Base-Backbone interact. energy: -2.406
local terms energy: -287.078236
where:
bonds (distance) C4'-P energy: -79.531
bonds (distance) P-C4' energy: -89.484
flat angles C4'-P-C4' energy: -67.286
flat angles P-C4'-P energy: -47.809
tors. eta vs tors. theta energy: -2.968
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: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1932.982857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.982857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.982857 (E_RNA)
where:
Base-Base interactions energy: -1355.398
where: short stacking energy: -521.684
Base-Backbone interact. energy: -2.972
local terms energy: -574.612543
where:
bonds (distance) C4'-P energy: -106.978
bonds (distance) P-C4' energy: -107.549
flat angles C4'-P-C4' energy: -120.010
flat angles P-C4'-P energy: -92.176
tors. eta vs tors. theta energy: -147.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1801.463093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.463093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.463093 (E_RNA)
where:
Base-Base interactions energy: -1259.613
where: short stacking energy: -531.088
Base-Backbone interact. energy: 0.484
local terms energy: -542.334019
where:
bonds (distance) C4'-P energy: -98.143
bonds (distance) P-C4' energy: -106.028
flat angles C4'-P-C4' energy: -118.693
flat angles P-C4'-P energy: -71.476
tors. eta vs tors. theta energy: -147.994
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: 3, replica: 4
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1733.915000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.915000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.915000 (E_RNA)
where:
Base-Base interactions energy: -1203.979
where: short stacking energy: -522.995
Base-Backbone interact. energy: -3.376
local terms energy: -526.559735
where:
bonds (distance) C4'-P energy: -91.134
bonds (distance) P-C4' energy: -107.093
flat angles C4'-P-C4' energy: -119.342
flat angles P-C4'-P energy: -62.034
tors. eta vs tors. theta energy: -146.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1665.820737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.820737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.820737 (E_RNA)
where:
Base-Base interactions energy: -1188.803
where: short stacking energy: -481.168
Base-Backbone interact. energy: -3.501
local terms energy: -473.516709
where:
bonds (distance) C4'-P energy: -86.306
bonds (distance) P-C4' energy: -85.489
flat angles C4'-P-C4' energy: -109.280
flat angles P-C4'-P energy: -70.062
tors. eta vs tors. theta energy: -122.379
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: 5
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1531.267313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.267313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.267313 (E_RNA)
where:
Base-Base interactions energy: -1058.215
where: short stacking energy: -437.544
Base-Backbone interact. energy: 2.216
local terms energy: -475.268793
where:
bonds (distance) C4'-P energy: -96.799
bonds (distance) P-C4' energy: -81.108
flat angles C4'-P-C4' energy: -111.835
flat angles P-C4'-P energy: -71.718
tors. eta vs tors. theta energy: -113.809
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: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1455.673809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.673809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.673809 (E_RNA)
where:
Base-Base interactions energy: -994.352
where: short stacking energy: -443.027
Base-Backbone interact. energy: 1.583
local terms energy: -462.904914
where:
bonds (distance) C4'-P energy: -99.902
bonds (distance) P-C4' energy: -84.929
flat angles C4'-P-C4' energy: -97.569
flat angles P-C4'-P energy: -73.796
tors. eta vs tors. theta energy: -106.709
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: 7, replica: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1363.967157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.967157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.967157 (E_RNA)
where:
Base-Base interactions energy: -939.862
where: short stacking energy: -389.273
Base-Backbone interact. energy: -2.126
local terms energy: -421.978880
where:
bonds (distance) C4'-P energy: -71.889
bonds (distance) P-C4' energy: -95.471
flat angles C4'-P-C4' energy: -101.800
flat angles P-C4'-P energy: -65.040
tors. eta vs tors. theta energy: -87.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1218.697585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.697585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.697585 (E_RNA)
where:
Base-Base interactions energy: -822.627
where: short stacking energy: -341.464
Base-Backbone interact. energy: -0.296
local terms energy: -395.775106
where:
bonds (distance) C4'-P energy: -84.620
bonds (distance) P-C4' energy: -94.330
flat angles C4'-P-C4' energy: -83.444
flat angles P-C4'-P energy: -54.164
tors. eta vs tors. theta energy: -79.217
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: 91
Temperature: 1.300000
Total energy: -901.807244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.807244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.807244 (E_RNA)
where:
Base-Base interactions energy: -538.607
where: short stacking energy: -265.770
Base-Backbone interact. energy: -3.748
local terms energy: -359.451798
where:
bonds (distance) C4'-P energy: -98.642
bonds (distance) P-C4' energy: -70.457
flat angles C4'-P-C4' energy: -95.651
flat angles P-C4'-P energy: -51.799
tors. eta vs tors. theta energy: -42.903
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: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -688.270297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.270297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.270297 (E_RNA)
where:
Base-Base interactions energy: -361.513
where: short stacking energy: -179.576
Base-Backbone interact. energy: -0.828
local terms energy: -325.929587
where:
bonds (distance) C4'-P energy: -80.211
bonds (distance) P-C4' energy: -94.576
flat angles C4'-P-C4' energy: -80.066
flat angles P-C4'-P energy: -50.705
tors. eta vs tors. theta energy: -20.371
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: 92
Temperature: 0.900000
Total energy: -1948.796806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.796806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.796806 (E_RNA)
where:
Base-Base interactions energy: -1378.225
where: short stacking energy: -546.099
Base-Backbone interact. energy: 1.873
local terms energy: -572.444826
where:
bonds (distance) C4'-P energy: -108.475
bonds (distance) P-C4' energy: -103.497
flat angles C4'-P-C4' energy: -121.963
flat angles P-C4'-P energy: -88.029
tors. eta vs tors. theta energy: -150.481
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: 2, replica: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1833.856231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.856231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.856231 (E_RNA)
where:
Base-Base interactions energy: -1309.717
where: short stacking energy: -534.354
Base-Backbone interact. energy: -2.156
local terms energy: -521.982531
where:
bonds (distance) C4'-P energy: -92.144
bonds (distance) P-C4' energy: -99.390
flat angles C4'-P-C4' energy: -123.336
flat angles P-C4'-P energy: -71.008
tors. eta vs tors. theta energy: -136.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1712.328682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.328682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.328682 (E_RNA)
where:
Base-Base interactions energy: -1198.401
where: short stacking energy: -508.271
Base-Backbone interact. energy: -2.823
local terms energy: -511.103867
where:
bonds (distance) C4'-P energy: -96.371
bonds (distance) P-C4' energy: -97.069
flat angles C4'-P-C4' energy: -120.615
flat angles P-C4'-P energy: -61.914
tors. eta vs tors. theta energy: -135.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1693.753953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.753953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.753953 (E_RNA)
where:
Base-Base interactions energy: -1156.708
where: short stacking energy: -502.254
Base-Backbone interact. energy: -0.259
local terms energy: -536.787134
where:
bonds (distance) C4'-P energy: -98.669
bonds (distance) P-C4' energy: -89.542
flat angles C4'-P-C4' energy: -121.802
flat angles P-C4'-P energy: -83.142
tors. eta vs tors. theta energy: -143.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1573.319663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.319663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.319663 (E_RNA)
where:
Base-Base interactions energy: -1065.494
where: short stacking energy: -445.643
Base-Backbone interact. energy: -3.926
local terms energy: -503.899836
where:
bonds (distance) C4'-P energy: -112.188
bonds (distance) P-C4' energy: -94.990
flat angles C4'-P-C4' energy: -110.186
flat angles P-C4'-P energy: -62.963
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: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1448.049847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.049847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.049847 (E_RNA)
where:
Base-Base interactions energy: -1006.234
where: short stacking energy: -403.992
Base-Backbone interact. energy: -1.403
local terms energy: -440.413606
where:
bonds (distance) C4'-P energy: -88.587
bonds (distance) P-C4' energy: -79.131
flat angles C4'-P-C4' energy: -116.423
flat angles P-C4'-P energy: -58.526
tors. eta vs tors. theta energy: -97.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1374.363873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.363873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.363873 (E_RNA)
where:
Base-Base interactions energy: -953.319
where: short stacking energy: -379.649
Base-Backbone interact. energy: 3.633
local terms energy: -424.677329
where:
bonds (distance) C4'-P energy: -83.873
bonds (distance) P-C4' energy: -84.988
flat angles C4'-P-C4' energy: -94.832
flat angles P-C4'-P energy: -66.588
tors. eta vs tors. theta energy: -94.397
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: 92
Temperature: 1.250000
Total energy: -1231.497098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.497098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.497098 (E_RNA)
where:
Base-Base interactions energy: -823.559
where: short stacking energy: -355.786
Base-Backbone interact. energy: -1.451
local terms energy: -406.487096
where:
bonds (distance) C4'-P energy: -90.838
bonds (distance) P-C4' energy: -75.837
flat angles C4'-P-C4' energy: -96.533
flat angles P-C4'-P energy: -62.519
tors. eta vs tors. theta energy: -80.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -914.241197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.241197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.241197 (E_RNA)
where:
Base-Base interactions energy: -558.665
where: short stacking energy: -253.768
Base-Backbone interact. energy: 1.596
local terms energy: -357.172686
where:
bonds (distance) C4'-P energy: -84.651
bonds (distance) P-C4' energy: -108.089
flat angles C4'-P-C4' energy: -71.233
flat angles P-C4'-P energy: -54.832
tors. eta vs tors. theta energy: -38.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -697.833777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.833777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.833777 (E_RNA)
where:
Base-Base interactions energy: -417.031
where: short stacking energy: -173.191
Base-Backbone interact. energy: 5.786
local terms energy: -286.589307
where:
bonds (distance) C4'-P energy: -83.986
bonds (distance) P-C4' energy: -78.522
flat angles C4'-P-C4' energy: -68.530
flat angles P-C4'-P energy: -45.830
tors. eta vs tors. theta energy: -9.722
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: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1916.621637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.621637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.621637 (E_RNA)
where:
Base-Base interactions energy: -1352.566
where: short stacking energy: -541.852
Base-Backbone interact. energy: -1.850
local terms energy: -562.204759
where:
bonds (distance) C4'-P energy: -96.746
bonds (distance) P-C4' energy: -107.814
flat angles C4'-P-C4' energy: -118.574
flat angles P-C4'-P energy: -86.304
tors. eta vs tors. theta energy: -152.765
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: 2
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1843.133237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.133237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.133237 (E_RNA)
where:
Base-Base interactions energy: -1324.977
where: short stacking energy: -521.322
Base-Backbone interact. energy: -1.735
local terms energy: -516.421350
where:
bonds (distance) C4'-P energy: -104.399
bonds (distance) P-C4' energy: -84.017
flat angles C4'-P-C4' energy: -114.339
flat angles P-C4'-P energy: -72.487
tors. eta vs tors. theta energy: -141.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1716.436817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.436817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.436817 (E_RNA)
where:
Base-Base interactions energy: -1215.441
where: short stacking energy: -518.372
Base-Backbone interact. energy: -2.943
local terms energy: -498.052807
where:
bonds (distance) C4'-P energy: -78.446
bonds (distance) P-C4' energy: -96.339
flat angles C4'-P-C4' energy: -108.024
flat angles P-C4'-P energy: -74.339
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: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1714.004838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.004838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.004838 (E_RNA)
where:
Base-Base interactions energy: -1205.940
where: short stacking energy: -498.407
Base-Backbone interact. energy: -1.031
local terms energy: -507.033830
where:
bonds (distance) C4'-P energy: -92.591
bonds (distance) P-C4' energy: -81.638
flat angles C4'-P-C4' energy: -116.729
flat angles P-C4'-P energy: -73.179
tors. eta vs tors. theta energy: -142.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1600.391660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.391660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.391660 (E_RNA)
where:
Base-Base interactions energy: -1116.327
where: short stacking energy: -474.495
Base-Backbone interact. energy: -0.633
local terms energy: -483.430834
where:
bonds (distance) C4'-P energy: -89.603
bonds (distance) P-C4' energy: -96.283
flat angles C4'-P-C4' energy: -107.580
flat angles P-C4'-P energy: -66.090
tors. eta vs tors. theta energy: -123.875
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: 6, replica: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1432.145051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.145051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.145051 (E_RNA)
where:
Base-Base interactions energy: -999.359
where: short stacking energy: -425.626
Base-Backbone interact. energy: 3.110
local terms energy: -435.895472
where:
bonds (distance) C4'-P energy: -90.607
bonds (distance) P-C4' energy: -88.733
flat angles C4'-P-C4' energy: -102.346
flat angles P-C4'-P energy: -62.069
tors. eta vs tors. theta energy: -92.140
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: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1394.125749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.125749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.125749 (E_RNA)
where:
Base-Base interactions energy: -959.614
where: short stacking energy: -394.625
Base-Backbone interact. energy: -1.435
local terms energy: -433.077314
where:
bonds (distance) C4'-P energy: -96.887
bonds (distance) P-C4' energy: -90.684
flat angles C4'-P-C4' energy: -77.976
flat angles P-C4'-P energy: -73.969
tors. eta vs tors. theta energy: -93.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1225.193452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.193452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.193452 (E_RNA)
where:
Base-Base interactions energy: -844.548
where: short stacking energy: -344.288
Base-Backbone interact. energy: 1.586
local terms energy: -382.231966
where:
bonds (distance) C4'-P energy: -72.060
bonds (distance) P-C4' energy: -89.533
flat angles C4'-P-C4' energy: -99.367
flat angles P-C4'-P energy: -55.159
tors. eta vs tors. theta energy: -66.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -961.487133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.487133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.487133 (E_RNA)
where:
Base-Base interactions energy: -611.782
where: short stacking energy: -270.111
Base-Backbone interact. energy: -0.040
local terms energy: -349.665358
where:
bonds (distance) C4'-P energy: -97.278
bonds (distance) P-C4' energy: -80.064
flat angles C4'-P-C4' energy: -86.686
flat angles P-C4'-P energy: -48.669
tors. eta vs tors. theta energy: -36.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -723.530378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.530378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.530378 (E_RNA)
where:
Base-Base interactions energy: -401.924
where: short stacking energy: -207.007
Base-Backbone interact. energy: -2.258
local terms energy: -319.348583
where:
bonds (distance) C4'-P energy: -84.835
bonds (distance) P-C4' energy: -87.322
flat angles C4'-P-C4' energy: -66.718
flat angles P-C4'-P energy: -61.639
tors. eta vs tors. theta energy: -18.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1895.974473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.974473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.974473 (E_RNA)
where:
Base-Base interactions energy: -1356.156
where: short stacking energy: -528.183
Base-Backbone interact. energy: 1.239
local terms energy: -541.057110
where:
bonds (distance) C4'-P energy: -103.849
bonds (distance) P-C4' energy: -103.154
flat angles C4'-P-C4' energy: -113.288
flat angles P-C4'-P energy: -78.787
tors. eta vs tors. theta energy: -141.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1821.881174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.881174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.881174 (E_RNA)
where:
Base-Base interactions energy: -1274.549
where: short stacking energy: -484.778
Base-Backbone interact. energy: -4.089
local terms energy: -543.243734
where:
bonds (distance) C4'-P energy: -90.179
bonds (distance) P-C4' energy: -121.559
flat angles C4'-P-C4' energy: -120.759
flat angles P-C4'-P energy: -70.823
tors. eta vs tors. theta energy: -139.924
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: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1754.803760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.803760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.803760 (E_RNA)
where:
Base-Base interactions energy: -1216.866
where: short stacking energy: -511.318
Base-Backbone interact. energy: -3.306
local terms energy: -534.631999
where:
bonds (distance) C4'-P energy: -102.609
bonds (distance) P-C4' energy: -96.423
flat angles C4'-P-C4' energy: -112.054
flat angles P-C4'-P energy: -79.461
tors. eta vs tors. theta energy: -144.084
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: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1635.537142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.537142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.537142 (E_RNA)
where:
Base-Base interactions energy: -1150.172
where: short stacking energy: -490.683
Base-Backbone interact. energy: -3.431
local terms energy: -481.934176
where:
bonds (distance) C4'-P energy: -89.117
bonds (distance) P-C4' energy: -95.317
flat angles C4'-P-C4' energy: -114.454
flat angles P-C4'-P energy: -59.989
tors. eta vs tors. theta energy: -123.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1555.297817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.297817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.297817 (E_RNA)
where:
Base-Base interactions energy: -1087.369
where: short stacking energy: -476.173
Base-Backbone interact. energy: 2.087
local terms energy: -470.015646
where:
bonds (distance) C4'-P energy: -87.877
bonds (distance) P-C4' energy: -90.222
flat angles C4'-P-C4' energy: -99.852
flat angles P-C4'-P energy: -68.285
tors. eta vs tors. theta energy: -123.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1439.888344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.888344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.888344 (E_RNA)
where:
Base-Base interactions energy: -992.706
where: short stacking energy: -405.370
Base-Backbone interact. energy: -5.053
local terms energy: -442.130267
where:
bonds (distance) C4'-P energy: -77.765
bonds (distance) P-C4' energy: -104.979
flat angles C4'-P-C4' energy: -102.780
flat angles P-C4'-P energy: -64.450
tors. eta vs tors. theta energy: -92.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1421.003702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.003702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.003702 (E_RNA)
where:
Base-Base interactions energy: -979.034
where: short stacking energy: -399.463
Base-Backbone interact. energy: -1.894
local terms energy: -440.076374
where:
bonds (distance) C4'-P energy: -76.220
bonds (distance) P-C4' energy: -92.943
flat angles C4'-P-C4' energy: -103.447
flat angles P-C4'-P energy: -65.608
tors. eta vs tors. theta energy: -101.859
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: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1260.457255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.457255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.457255 (E_RNA)
where:
Base-Base interactions energy: -859.675
where: short stacking energy: -345.357
Base-Backbone interact. energy: 5.303
local terms energy: -406.084664
where:
bonds (distance) C4'-P energy: -83.328
bonds (distance) P-C4' energy: -82.825
flat angles C4'-P-C4' energy: -96.068
flat angles P-C4'-P energy: -67.307
tors. eta vs tors. theta energy: -76.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -970.112131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.112131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.112131 (E_RNA)
where:
Base-Base interactions energy: -616.557
where: short stacking energy: -265.736
Base-Backbone interact. energy: -3.311
local terms energy: -350.243850
where:
bonds (distance) C4'-P energy: -82.611
bonds (distance) P-C4' energy: -87.341
flat angles C4'-P-C4' energy: -85.640
flat angles P-C4'-P energy: -44.454
tors. eta vs tors. theta energy: -50.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -788.089942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.089942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.089942 (E_RNA)
where:
Base-Base interactions energy: -471.146
where: short stacking energy: -240.363
Base-Backbone interact. energy: 2.094
local terms energy: -319.038515
where:
bonds (distance) C4'-P energy: -88.687
bonds (distance) P-C4' energy: -67.962
flat angles C4'-P-C4' energy: -76.563
flat angles P-C4'-P energy: -41.221
tors. eta vs tors. theta energy: -44.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1888.082493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.082493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.082493 (E_RNA)
where:
Base-Base interactions energy: -1350.939
where: short stacking energy: -516.782
Base-Backbone interact. energy: -0.539
local terms energy: -536.605000
where:
bonds (distance) C4'-P energy: -96.951
bonds (distance) P-C4' energy: -104.607
flat angles C4'-P-C4' energy: -119.713
flat angles P-C4'-P energy: -76.103
tors. eta vs tors. theta energy: -139.232
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: 95
Temperature: 0.950000
Total energy: -1814.244526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.244526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.244526 (E_RNA)
where:
Base-Base interactions energy: -1275.648
where: short stacking energy: -481.174
Base-Backbone interact. energy: -0.471
local terms energy: -538.125611
where:
bonds (distance) C4'-P energy: -109.719
bonds (distance) P-C4' energy: -110.588
flat angles C4'-P-C4' energy: -111.181
flat angles P-C4'-P energy: -67.090
tors. eta vs tors. theta energy: -139.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1770.890878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.890878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.890878 (E_RNA)
where:
Base-Base interactions energy: -1226.846
where: short stacking energy: -537.546
Base-Backbone interact. energy: 1.282
local terms energy: -545.327840
where:
bonds (distance) C4'-P energy: -99.822
bonds (distance) P-C4' energy: -115.784
flat angles C4'-P-C4' energy: -112.536
flat angles P-C4'-P energy: -70.092
tors. eta vs tors. theta energy: -147.094
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: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1633.845674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.845674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.845674 (E_RNA)
where:
Base-Base interactions energy: -1134.064
where: short stacking energy: -484.085
Base-Backbone interact. energy: -1.237
local terms energy: -498.544969
where:
bonds (distance) C4'-P energy: -94.399
bonds (distance) P-C4' energy: -88.799
flat angles C4'-P-C4' energy: -112.341
flat angles P-C4'-P energy: -76.925
tors. eta vs tors. theta energy: -126.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1548.963924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.963924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.963924 (E_RNA)
where:
Base-Base interactions energy: -1061.961
where: short stacking energy: -432.538
Base-Backbone interact. energy: 5.320
local terms energy: -492.322223
where:
bonds (distance) C4'-P energy: -103.252
bonds (distance) P-C4' energy: -101.300
flat angles C4'-P-C4' energy: -109.280
flat angles P-C4'-P energy: -66.491
tors. eta vs tors. theta energy: -112.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1500.875973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.875973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.875973 (E_RNA)
where:
Base-Base interactions energy: -1044.709
where: short stacking energy: -449.055
Base-Backbone interact. energy: -1.253
local terms energy: -454.914164
where:
bonds (distance) C4'-P energy: -96.761
bonds (distance) P-C4' energy: -83.432
flat angles C4'-P-C4' energy: -96.584
flat angles P-C4'-P energy: -55.768
tors. eta vs tors. theta energy: -122.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1343.044227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.044227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.044227 (E_RNA)
where:
Base-Base interactions energy: -921.031
where: short stacking energy: -370.551
Base-Backbone interact. energy: 0.849
local terms energy: -422.862195
where:
bonds (distance) C4'-P energy: -80.463
bonds (distance) P-C4' energy: -80.939
flat angles C4'-P-C4' energy: -97.868
flat angles P-C4'-P energy: -75.024
tors. eta vs tors. theta energy: -88.568
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: 95
Temperature: 1.250000
Total energy: -1286.439377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.439377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.439377 (E_RNA)
where:
Base-Base interactions energy: -905.634
where: short stacking energy: -354.449
Base-Backbone interact. energy: -1.107
local terms energy: -379.698073
where:
bonds (distance) C4'-P energy: -83.163
bonds (distance) P-C4' energy: -80.747
flat angles C4'-P-C4' energy: -79.233
flat angles P-C4'-P energy: -66.094
tors. eta vs tors. theta energy: -70.461
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: 95
Temperature: 1.300000
Total energy: -942.095546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.095546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.095546 (E_RNA)
where:
Base-Base interactions energy: -580.808
where: short stacking energy: -270.821
Base-Backbone interact. energy: -2.353
local terms energy: -358.934162
where:
bonds (distance) C4'-P energy: -92.339
bonds (distance) P-C4' energy: -83.840
flat angles C4'-P-C4' energy: -90.314
flat angles P-C4'-P energy: -48.488
tors. eta vs tors. theta energy: -43.953
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: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -822.343344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.343344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.343344 (E_RNA)
where:
Base-Base interactions energy: -515.260
where: short stacking energy: -250.291
Base-Backbone interact. energy: -1.926
local terms energy: -305.157302
where:
bonds (distance) C4'-P energy: -80.575
bonds (distance) P-C4' energy: -84.972
flat angles C4'-P-C4' energy: -70.481
flat angles P-C4'-P energy: -38.995
tors. eta vs tors. theta energy: -30.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1883.291121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.291121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.291121 (E_RNA)
where:
Base-Base interactions energy: -1337.385
where: short stacking energy: -540.174
Base-Backbone interact. energy: -2.760
local terms energy: -543.145718
where:
bonds (distance) C4'-P energy: -104.237
bonds (distance) P-C4' energy: -95.307
flat angles C4'-P-C4' energy: -122.399
flat angles P-C4'-P energy: -78.169
tors. eta vs tors. theta energy: -143.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1808.349176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.349176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.349176 (E_RNA)
where:
Base-Base interactions energy: -1298.362
where: short stacking energy: -512.733
Base-Backbone interact. energy: 0.227
local terms energy: -510.214837
where:
bonds (distance) C4'-P energy: -90.959
bonds (distance) P-C4' energy: -104.623
flat angles C4'-P-C4' energy: -105.442
flat angles P-C4'-P energy: -69.832
tors. eta vs tors. theta energy: -139.359
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: 3, replica: 4
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1727.876314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.876314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.876314 (E_RNA)
where:
Base-Base interactions energy: -1205.025
where: short stacking energy: -492.511
Base-Backbone interact. energy: 0.670
local terms energy: -523.521106
where:
bonds (distance) C4'-P energy: -95.192
bonds (distance) P-C4' energy: -113.259
flat angles C4'-P-C4' energy: -98.912
flat angles P-C4'-P energy: -78.129
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: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1663.733731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.733731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.733731 (E_RNA)
where:
Base-Base interactions energy: -1176.517
where: short stacking energy: -518.873
Base-Backbone interact. energy: -2.150
local terms energy: -485.066324
where:
bonds (distance) C4'-P energy: -85.129
bonds (distance) P-C4' energy: -86.416
flat angles C4'-P-C4' energy: -104.912
flat angles P-C4'-P energy: -71.448
tors. eta vs tors. theta energy: -137.161
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: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1560.789082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.789082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.789082 (E_RNA)
where:
Base-Base interactions energy: -1065.968
where: short stacking energy: -422.934
Base-Backbone interact. energy: -1.550
local terms energy: -493.271517
where:
bonds (distance) C4'-P energy: -95.357
bonds (distance) P-C4' energy: -82.696
flat angles C4'-P-C4' energy: -117.987
flat angles P-C4'-P energy: -80.702
tors. eta vs tors. theta energy: -116.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1478.929615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.929615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.929615 (E_RNA)
where:
Base-Base interactions energy: -1007.721
where: short stacking energy: -430.055
Base-Backbone interact. energy: -1.003
local terms energy: -470.205088
where:
bonds (distance) C4'-P energy: -87.465
bonds (distance) P-C4' energy: -98.708
flat angles C4'-P-C4' energy: -103.970
flat angles P-C4'-P energy: -69.628
tors. eta vs tors. theta energy: -110.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1346.068597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.068597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.068597 (E_RNA)
where:
Base-Base interactions energy: -927.610
where: short stacking energy: -371.540
Base-Backbone interact. energy: -0.122
local terms energy: -418.336183
where:
bonds (distance) C4'-P energy: -95.950
bonds (distance) P-C4' energy: -74.334
flat angles C4'-P-C4' energy: -94.883
flat angles P-C4'-P energy: -68.766
tors. eta vs tors. theta energy: -84.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1235.322052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.322052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.322052 (E_RNA)
where:
Base-Base interactions energy: -859.634
where: short stacking energy: -337.123
Base-Backbone interact. energy: -4.411
local terms energy: -371.277423
where:
bonds (distance) C4'-P energy: -85.337
bonds (distance) P-C4' energy: -68.112
flat angles C4'-P-C4' energy: -100.258
flat angles P-C4'-P energy: -52.143
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: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -815.022845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.022845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.022845 (E_RNA)
where:
Base-Base interactions energy: -486.081
where: short stacking energy: -225.826
Base-Backbone interact. energy: -3.461
local terms energy: -325.480922
where:
bonds (distance) C4'-P energy: -82.302
bonds (distance) P-C4' energy: -81.802
flat angles C4'-P-C4' energy: -75.618
flat angles P-C4'-P energy: -59.136
tors. eta vs tors. theta energy: -26.623
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: 96
Temperature: 1.350000
Total energy: -845.005049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.005049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.005049 (E_RNA)
where:
Base-Base interactions energy: -490.409
where: short stacking energy: -230.093
Base-Backbone interact. energy: -1.263
local terms energy: -353.332311
where:
bonds (distance) C4'-P energy: -95.747
bonds (distance) P-C4' energy: -82.074
flat angles C4'-P-C4' energy: -77.267
flat angles P-C4'-P energy: -64.765
tors. eta vs tors. theta energy: -33.479
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: 97
Temperature: 0.900000
Total energy: -1893.836807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.836807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.836807 (E_RNA)
where:
Base-Base interactions energy: -1340.869
where: short stacking energy: -540.996
Base-Backbone interact. energy: -3.278
local terms energy: -549.689931
where:
bonds (distance) C4'-P energy: -93.475
bonds (distance) P-C4' energy: -111.611
flat angles C4'-P-C4' energy: -113.788
flat angles P-C4'-P energy: -90.067
tors. eta vs tors. theta energy: -140.748
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: 2, replica: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1833.711923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.711923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.711923 (E_RNA)
where:
Base-Base interactions energy: -1293.384
where: short stacking energy: -495.137
Base-Backbone interact. energy: -0.155
local terms energy: -540.172580
where:
bonds (distance) C4'-P energy: -102.728
bonds (distance) P-C4' energy: -109.498
flat angles C4'-P-C4' energy: -118.617
flat angles P-C4'-P energy: -61.844
tors. eta vs tors. theta energy: -147.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1732.520215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.520215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.520215 (E_RNA)
where:
Base-Base interactions energy: -1204.882
where: short stacking energy: -484.039
Base-Backbone interact. energy: -0.793
local terms energy: -526.845937
where:
bonds (distance) C4'-P energy: -91.225
bonds (distance) P-C4' energy: -113.137
flat angles C4'-P-C4' energy: -111.299
flat angles P-C4'-P energy: -71.218
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: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1657.593706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.593706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.593706 (E_RNA)
where:
Base-Base interactions energy: -1145.567
where: short stacking energy: -472.581
Base-Backbone interact. energy: -0.881
local terms energy: -511.145234
where:
bonds (distance) C4'-P energy: -97.115
bonds (distance) P-C4' energy: -102.617
flat angles C4'-P-C4' energy: -107.626
flat angles P-C4'-P energy: -70.269
tors. eta vs tors. theta energy: -133.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1525.083179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.083179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.083179 (E_RNA)
where:
Base-Base interactions energy: -1074.925
where: short stacking energy: -414.508
Base-Backbone interact. energy: -0.517
local terms energy: -449.640656
where:
bonds (distance) C4'-P energy: -87.264
bonds (distance) P-C4' energy: -91.227
flat angles C4'-P-C4' energy: -101.743
flat angles P-C4'-P energy: -64.273
tors. eta vs tors. theta energy: -105.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1367.639147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.639147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.639147 (E_RNA)
where:
Base-Base interactions energy: -938.087
where: short stacking energy: -386.237
Base-Backbone interact. energy: 0.944
local terms energy: -430.495839
where:
bonds (distance) C4'-P energy: -91.410
bonds (distance) P-C4' energy: -88.302
flat angles C4'-P-C4' energy: -94.295
flat angles P-C4'-P energy: -56.297
tors. eta vs tors. theta energy: -100.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1412.182961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.182961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.182961 (E_RNA)
where:
Base-Base interactions energy: -944.406
where: short stacking energy: -406.329
Base-Backbone interact. energy: -1.030
local terms energy: -466.747571
where:
bonds (distance) C4'-P energy: -83.717
bonds (distance) P-C4' energy: -106.482
flat angles C4'-P-C4' energy: -107.960
flat angles P-C4'-P energy: -65.638
tors. eta vs tors. theta energy: -102.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1254.387377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.387377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.387377 (E_RNA)
where:
Base-Base interactions energy: -844.863
where: short stacking energy: -345.163
Base-Backbone interact. energy: 3.061
local terms energy: -412.585472
where:
bonds (distance) C4'-P energy: -87.156
bonds (distance) P-C4' energy: -95.451
flat angles C4'-P-C4' energy: -96.018
flat angles P-C4'-P energy: -48.639
tors. eta vs tors. theta energy: -85.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -796.494798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.494798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.494798 (E_RNA)
where:
Base-Base interactions energy: -477.688
where: short stacking energy: -232.089
Base-Backbone interact. energy: 0.506
local terms energy: -319.312654
where:
bonds (distance) C4'-P energy: -72.761
bonds (distance) P-C4' energy: -92.206
flat angles C4'-P-C4' energy: -87.584
flat angles P-C4'-P energy: -34.734
tors. eta vs tors. theta energy: -32.028
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: 97
Temperature: 1.350000
Total energy: -700.224844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.224844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.224844 (E_RNA)
where:
Base-Base interactions energy: -433.208
where: short stacking energy: -201.703
Base-Backbone interact. energy: -1.366
local terms energy: -265.650085
where:
bonds (distance) C4'-P energy: -75.596
bonds (distance) P-C4' energy: -84.468
flat angles C4'-P-C4' energy: -58.923
flat angles P-C4'-P energy: -37.615
tors. eta vs tors. theta energy: -9.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1857.245989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.245989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.245989 (E_RNA)
where:
Base-Base interactions energy: -1308.795
where: short stacking energy: -500.845
Base-Backbone interact. energy: 0.466
local terms energy: -548.917250
where:
bonds (distance) C4'-P energy: -107.019
bonds (distance) P-C4' energy: -111.337
flat angles C4'-P-C4' energy: -107.024
flat angles P-C4'-P energy: -80.097
tors. eta vs tors. theta energy: -143.440
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: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1889.181859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.181859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.181859 (E_RNA)
where:
Base-Base interactions energy: -1347.855
where: short stacking energy: -550.359
Base-Backbone interact. energy: 0.829
local terms energy: -542.156268
where:
bonds (distance) C4'-P energy: -109.252
bonds (distance) P-C4' energy: -93.667
flat angles C4'-P-C4' energy: -108.062
flat angles P-C4'-P energy: -87.506
tors. eta vs tors. theta energy: -143.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1733.932966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.932966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.932966 (E_RNA)
where:
Base-Base interactions energy: -1198.016
where: short stacking energy: -487.298
Base-Backbone interact. energy: -5.363
local terms energy: -530.553356
where:
bonds (distance) C4'-P energy: -105.056
bonds (distance) P-C4' energy: -94.415
flat angles C4'-P-C4' energy: -110.948
flat angles P-C4'-P energy: -77.147
tors. eta vs tors. theta energy: -142.988
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: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1642.696414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.696414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.696414 (E_RNA)
where:
Base-Base interactions energy: -1138.047
where: short stacking energy: -458.927
Base-Backbone interact. energy: 2.367
local terms energy: -507.016567
where:
bonds (distance) C4'-P energy: -99.736
bonds (distance) P-C4' energy: -104.131
flat angles C4'-P-C4' energy: -114.044
flat angles P-C4'-P energy: -72.064
tors. eta vs tors. theta energy: -117.041
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: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1570.746533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.746533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.746533 (E_RNA)
where:
Base-Base interactions energy: -1078.582
where: short stacking energy: -456.083
Base-Backbone interact. energy: -2.624
local terms energy: -489.540376
where:
bonds (distance) C4'-P energy: -95.378
bonds (distance) P-C4' energy: -99.506
flat angles C4'-P-C4' energy: -97.356
flat angles P-C4'-P energy: -73.505
tors. eta vs tors. theta energy: -123.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1354.507796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.507796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.507796 (E_RNA)
where:
Base-Base interactions energy: -920.332
where: short stacking energy: -396.287
Base-Backbone interact. energy: -0.162
local terms energy: -434.013740
where:
bonds (distance) C4'-P energy: -67.165
bonds (distance) P-C4' energy: -87.854
flat angles C4'-P-C4' energy: -111.598
flat angles P-C4'-P energy: -71.399
tors. eta vs tors. theta energy: -95.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1405.701969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.701969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.701969 (E_RNA)
where:
Base-Base interactions energy: -967.225
where: short stacking energy: -418.002
Base-Backbone interact. energy: -3.781
local terms energy: -434.695880
where:
bonds (distance) C4'-P energy: -85.697
bonds (distance) P-C4' energy: -90.150
flat angles C4'-P-C4' energy: -99.180
flat angles P-C4'-P energy: -64.507
tors. eta vs tors. theta energy: -95.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1276.664770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.664770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.664770 (E_RNA)
where:
Base-Base interactions energy: -881.214
where: short stacking energy: -372.388
Base-Backbone interact. energy: -0.406
local terms energy: -395.044176
where:
bonds (distance) C4'-P energy: -85.039
bonds (distance) P-C4' energy: -76.130
flat angles C4'-P-C4' energy: -87.321
flat angles P-C4'-P energy: -56.868
tors. eta vs tors. theta energy: -89.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -802.028791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.028791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.028791 (E_RNA)
where:
Base-Base interactions energy: -489.748
where: short stacking energy: -229.835
Base-Backbone interact. energy: 0.440
local terms energy: -312.720775
where:
bonds (distance) C4'-P energy: -75.320
bonds (distance) P-C4' energy: -86.092
flat angles C4'-P-C4' energy: -73.659
flat angles P-C4'-P energy: -52.078
tors. eta vs tors. theta energy: -25.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -622.216674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.216674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.216674 (E_RNA)
where:
Base-Base interactions energy: -326.617
where: short stacking energy: -150.633
Base-Backbone interact. energy: 1.691
local terms energy: -297.291570
where:
bonds (distance) C4'-P energy: -89.653
bonds (distance) P-C4' energy: -74.512
flat angles C4'-P-C4' energy: -68.554
flat angles P-C4'-P energy: -62.620
tors. eta vs tors. theta energy: -1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1853.402038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.402038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.402038 (E_RNA)
where:
Base-Base interactions energy: -1300.898
where: short stacking energy: -518.023
Base-Backbone interact. energy: 4.033
local terms energy: -556.536665
where:
bonds (distance) C4'-P energy: -105.115
bonds (distance) P-C4' energy: -107.309
flat angles C4'-P-C4' energy: -120.828
flat angles P-C4'-P energy: -79.314
tors. eta vs tors. theta energy: -143.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1886.591939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.591939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.591939 (E_RNA)
where:
Base-Base interactions energy: -1341.928
where: short stacking energy: -543.783
Base-Backbone interact. energy: -3.876
local terms energy: -540.788595
where:
bonds (distance) C4'-P energy: -106.197
bonds (distance) P-C4' energy: -100.510
flat angles C4'-P-C4' energy: -118.247
flat angles P-C4'-P energy: -74.013
tors. eta vs tors. theta energy: -141.822
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: 99
Temperature: 1.000000
Total energy: -1762.567873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.567873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.567873 (E_RNA)
where:
Base-Base interactions energy: -1237.918
where: short stacking energy: -502.695
Base-Backbone interact. energy: -2.761
local terms energy: -521.888069
where:
bonds (distance) C4'-P energy: -93.452
bonds (distance) P-C4' energy: -100.172
flat angles C4'-P-C4' energy: -109.277
flat angles P-C4'-P energy: -76.574
tors. eta vs tors. theta energy: -142.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1643.222354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.222354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.222354 (E_RNA)
where:
Base-Base interactions energy: -1135.909
where: short stacking energy: -483.616
Base-Backbone interact. energy: 1.600
local terms energy: -508.912791
where:
bonds (distance) C4'-P energy: -89.483
bonds (distance) P-C4' energy: -102.564
flat angles C4'-P-C4' energy: -111.301
flat angles P-C4'-P energy: -72.828
tors. eta vs tors. theta energy: -132.736
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: 99
Temperature: 1.100000
Total energy: -1542.478387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.478387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.478387 (E_RNA)
where:
Base-Base interactions energy: -1071.746
where: short stacking energy: -449.803
Base-Backbone interact. energy: -2.646
local terms energy: -468.086159
where:
bonds (distance) C4'-P energy: -78.767
bonds (distance) P-C4' energy: -97.028
flat angles C4'-P-C4' energy: -101.448
flat angles P-C4'-P energy: -78.336
tors. eta vs tors. theta energy: -112.506
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: 6, replica: 8
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1340.272250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.272250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.272250 (E_RNA)
where:
Base-Base interactions energy: -901.023
where: short stacking energy: -382.418
Base-Backbone interact. energy: 3.132
local terms energy: -442.381065
where:
bonds (distance) C4'-P energy: -85.699
bonds (distance) P-C4' energy: -93.838
flat angles C4'-P-C4' energy: -102.289
flat angles P-C4'-P energy: -74.174
tors. eta vs tors. theta energy: -86.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1395.689973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.689973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.689973 (E_RNA)
where:
Base-Base interactions energy: -948.564
where: short stacking energy: -397.132
Base-Backbone interact. energy: -4.236
local terms energy: -442.889931
where:
bonds (distance) C4'-P energy: -89.512
bonds (distance) P-C4' energy: -96.638
flat angles C4'-P-C4' energy: -101.407
flat angles P-C4'-P energy: -57.398
tors. eta vs tors. theta energy: -97.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1281.231036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.231036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.231036 (E_RNA)
where:
Base-Base interactions energy: -870.594
where: short stacking energy: -359.669
Base-Backbone interact. energy: 1.265
local terms energy: -411.902505
where:
bonds (distance) C4'-P energy: -88.086
bonds (distance) P-C4' energy: -106.726
flat angles C4'-P-C4' energy: -85.002
flat angles P-C4'-P energy: -62.611
tors. eta vs tors. theta energy: -69.478
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: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -830.041827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.041827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.041827 (E_RNA)
where:
Base-Base interactions energy: -469.406
where: short stacking energy: -252.230
Base-Backbone interact. energy: -3.023
local terms energy: -357.613353
where:
bonds (distance) C4'-P energy: -86.490
bonds (distance) P-C4' energy: -92.519
flat angles C4'-P-C4' energy: -94.667
flat angles P-C4'-P energy: -55.410
tors. eta vs tors. theta energy: -28.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -663.172078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.172078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.172078 (E_RNA)
where:
Base-Base interactions energy: -380.353
where: short stacking energy: -200.554
Base-Backbone interact. energy: -0.028
local terms energy: -282.791659
where:
bonds (distance) C4'-P energy: -79.540
bonds (distance) P-C4' energy: -86.858
flat angles C4'-P-C4' energy: -76.584
flat angles P-C4'-P energy: -29.188
tors. eta vs tors. theta energy: -10.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1907.033904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.033904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.033904 (E_RNA)
where:
Base-Base interactions energy: -1342.239
where: short stacking energy: -534.306
Base-Backbone interact. energy: -2.121
local terms energy: -562.674536
where:
bonds (distance) C4'-P energy: -106.289
bonds (distance) P-C4' energy: -100.730
flat angles C4'-P-C4' energy: -118.470
flat angles P-C4'-P energy: -84.030
tors. eta vs tors. theta energy: -153.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1862.654902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.654902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.654902 (E_RNA)
where:
Base-Base interactions energy: -1308.992
where: short stacking energy: -545.785
Base-Backbone interact. energy: -2.287
local terms energy: -551.375813
where:
bonds (distance) C4'-P energy: -114.702
bonds (distance) P-C4' energy: -82.896
flat angles C4'-P-C4' energy: -119.857
flat angles P-C4'-P energy: -87.133
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: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1732.873346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.873346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.873346 (E_RNA)
where:
Base-Base interactions energy: -1194.672
where: short stacking energy: -460.677
Base-Backbone interact. energy: -3.055
local terms energy: -535.147109
where:
bonds (distance) C4'-P energy: -113.287
bonds (distance) P-C4' energy: -90.496
flat angles C4'-P-C4' energy: -118.412
flat angles P-C4'-P energy: -69.380
tors. eta vs tors. theta energy: -143.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1655.709465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.709465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.709465 (E_RNA)
where:
Base-Base interactions energy: -1115.126
where: short stacking energy: -495.367
Base-Backbone interact. energy: -2.059
local terms energy: -538.524666
where:
bonds (distance) C4'-P energy: -83.485
bonds (distance) P-C4' energy: -103.145
flat angles C4'-P-C4' energy: -117.581
flat angles P-C4'-P energy: -88.923
tors. eta vs tors. theta energy: -145.390
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: 5, replica: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1601.550857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.550857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.550857 (E_RNA)
where:
Base-Base interactions energy: -1114.855
where: short stacking energy: -444.801
Base-Backbone interact. energy: -3.292
local terms energy: -483.403135
where:
bonds (distance) C4'-P energy: -86.981
bonds (distance) P-C4' energy: -93.381
flat angles C4'-P-C4' energy: -117.156
flat angles P-C4'-P energy: -76.203
tors. eta vs tors. theta energy: -109.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1373.627519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.627519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.627519 (E_RNA)
where:
Base-Base interactions energy: -958.410
where: short stacking energy: -403.438
Base-Backbone interact. energy: 0.142
local terms energy: -415.359391
where:
bonds (distance) C4'-P energy: -81.284
bonds (distance) P-C4' energy: -89.982
flat angles C4'-P-C4' energy: -101.115
flat angles P-C4'-P energy: -63.564
tors. eta vs tors. theta energy: -79.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1383.970436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.970436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.970436 (E_RNA)
where:
Base-Base interactions energy: -942.264
where: short stacking energy: -377.349
Base-Backbone interact. energy: 1.747
local terms energy: -443.453155
where:
bonds (distance) C4'-P energy: -89.188
bonds (distance) P-C4' energy: -89.755
flat angles C4'-P-C4' energy: -106.282
flat angles P-C4'-P energy: -72.459
tors. eta vs tors. theta energy: -85.769
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: 8, replica: 7
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1249.820643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.820643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.820643 (E_RNA)
where:
Base-Base interactions energy: -883.902
where: short stacking energy: -371.997
Base-Backbone interact. energy: 3.701
local terms energy: -369.619956
where:
bonds (distance) C4'-P energy: -86.215
bonds (distance) P-C4' energy: -76.266
flat angles C4'-P-C4' energy: -80.969
flat angles P-C4'-P energy: -44.098
tors. eta vs tors. theta energy: -82.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -774.464286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.464286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.464286 (E_RNA)
where:
Base-Base interactions energy: -470.057
where: short stacking energy: -230.071
Base-Backbone interact. energy: 0.370
local terms energy: -304.776955
where:
bonds (distance) C4'-P energy: -74.177
bonds (distance) P-C4' energy: -84.081
flat angles C4'-P-C4' energy: -80.303
flat angles P-C4'-P energy: -35.914
tors. eta vs tors. theta energy: -30.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -584.257690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.257690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.257690 (E_RNA)
where:
Base-Base interactions energy: -297.053
where: short stacking energy: -149.440
Base-Backbone interact. energy: 0.457
local terms energy: -287.662075
where:
bonds (distance) C4'-P energy: -75.506
bonds (distance) P-C4' energy: -82.110
flat angles C4'-P-C4' energy: -94.891
flat angles P-C4'-P energy: -45.197
tors. eta vs tors. theta energy: 10.042
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: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1919.133221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.133221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.133221 (E_RNA)
where:
Base-Base interactions energy: -1360.311
where: short stacking energy: -570.264
Base-Backbone interact. energy: -3.059
local terms energy: -555.763231
where:
bonds (distance) C4'-P energy: -102.765
bonds (distance) P-C4' energy: -107.700
flat angles C4'-P-C4' energy: -113.720
flat angles P-C4'-P energy: -76.339
tors. eta vs tors. theta energy: -155.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1834.859084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.859084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.859084 (E_RNA)
where:
Base-Base interactions energy: -1300.626
where: short stacking energy: -518.301
Base-Backbone interact. energy: -1.888
local terms energy: -532.345323
where:
bonds (distance) C4'-P energy: -106.926
bonds (distance) P-C4' energy: -85.450
flat angles C4'-P-C4' energy: -116.894
flat angles P-C4'-P energy: -75.746
tors. eta vs tors. theta energy: -147.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1697.014571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.014571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.014571 (E_RNA)
where:
Base-Base interactions energy: -1182.317
where: short stacking energy: -477.259
Base-Backbone interact. energy: -2.223
local terms energy: -512.474499
where:
bonds (distance) C4'-P energy: -87.558
bonds (distance) P-C4' energy: -103.429
flat angles C4'-P-C4' energy: -114.005
flat angles P-C4'-P energy: -81.196
tors. eta vs tors. theta energy: -126.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1605.790748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.790748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.790748 (E_RNA)
where:
Base-Base interactions energy: -1108.813
where: short stacking energy: -482.314
Base-Backbone interact. energy: 0.045
local terms energy: -497.022377
where:
bonds (distance) C4'-P energy: -95.227
bonds (distance) P-C4' energy: -95.889
flat angles C4'-P-C4' energy: -101.401
flat angles P-C4'-P energy: -74.415
tors. eta vs tors. theta energy: -130.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1582.197708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.197708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.197708 (E_RNA)
where:
Base-Base interactions energy: -1104.736
where: short stacking energy: -445.148
Base-Backbone interact. energy: -3.101
local terms energy: -474.360848
where:
bonds (distance) C4'-P energy: -91.237
bonds (distance) P-C4' energy: -87.799
flat angles C4'-P-C4' energy: -118.739
flat angles P-C4'-P energy: -68.937
tors. eta vs tors. theta energy: -107.649
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: 6, replica: 8
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1364.232918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.232918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.232918 (E_RNA)
where:
Base-Base interactions energy: -930.129
where: short stacking energy: -375.748
Base-Backbone interact. energy: 2.138
local terms energy: -436.241940
where:
bonds (distance) C4'-P energy: -83.569
bonds (distance) P-C4' energy: -95.203
flat angles C4'-P-C4' energy: -98.778
flat angles P-C4'-P energy: -67.216
tors. eta vs tors. theta energy: -91.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1410.906566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.906566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.906566 (E_RNA)
where:
Base-Base interactions energy: -1002.182
where: short stacking energy: -385.037
Base-Backbone interact. energy: 3.755
local terms energy: -412.479585
where:
bonds (distance) C4'-P energy: -79.759
bonds (distance) P-C4' energy: -100.848
flat angles C4'-P-C4' energy: -88.529
flat angles P-C4'-P energy: -55.398
tors. eta vs tors. theta energy: -87.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1299.556967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.556967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.556967 (E_RNA)
where:
Base-Base interactions energy: -885.468
where: short stacking energy: -365.733
Base-Backbone interact. energy: -3.486
local terms energy: -410.602767
where:
bonds (distance) C4'-P energy: -68.767
bonds (distance) P-C4' energy: -95.214
flat angles C4'-P-C4' energy: -88.668
flat angles P-C4'-P energy: -76.211
tors. eta vs tors. theta energy: -81.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -807.781447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.781447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.781447 (E_RNA)
where:
Base-Base interactions energy: -457.361
where: short stacking energy: -224.477
Base-Backbone interact. energy: 5.507
local terms energy: -355.927347
where:
bonds (distance) C4'-P energy: -91.109
bonds (distance) P-C4' energy: -106.352
flat angles C4'-P-C4' energy: -94.293
flat angles P-C4'-P energy: -40.919
tors. eta vs tors. theta energy: -23.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -550.604281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.604281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.604281 (E_RNA)
where:
Base-Base interactions energy: -238.437
where: short stacking energy: -150.207
Base-Backbone interact. energy: -1.569
local terms energy: -310.598217
where:
bonds (distance) C4'-P energy: -82.946
bonds (distance) P-C4' energy: -104.250
flat angles C4'-P-C4' energy: -78.432
flat angles P-C4'-P energy: -50.300
tors. eta vs tors. theta energy: 5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1922.056087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.056087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.056087 (E_RNA)
where:
Base-Base interactions energy: -1370.162
where: short stacking energy: -539.937
Base-Backbone interact. energy: -4.858
local terms energy: -547.036410
where:
bonds (distance) C4'-P energy: -106.211
bonds (distance) P-C4' energy: -95.613
flat angles C4'-P-C4' energy: -113.468
flat angles P-C4'-P energy: -73.741
tors. eta vs tors. theta energy: -158.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1842.337017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.337017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.337017 (E_RNA)
where:
Base-Base interactions energy: -1317.097
where: short stacking energy: -523.374
Base-Backbone interact. energy: -1.434
local terms energy: -523.805968
where:
bonds (distance) C4'-P energy: -83.861
bonds (distance) P-C4' energy: -107.433
flat angles C4'-P-C4' energy: -112.000
flat angles P-C4'-P energy: -81.823
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: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1689.130859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.130859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.130859 (E_RNA)
where:
Base-Base interactions energy: -1185.159
where: short stacking energy: -484.989
Base-Backbone interact. energy: -0.812
local terms energy: -503.160131
where:
bonds (distance) C4'-P energy: -87.101
bonds (distance) P-C4' energy: -114.236
flat angles C4'-P-C4' energy: -106.261
flat angles P-C4'-P energy: -61.079
tors. eta vs tors. theta energy: -134.483
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: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1593.184379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.184379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.184379 (E_RNA)
where:
Base-Base interactions energy: -1100.573
where: short stacking energy: -471.781
Base-Backbone interact. energy: 0.273
local terms energy: -492.885236
where:
bonds (distance) C4'-P energy: -102.884
bonds (distance) P-C4' energy: -90.800
flat angles C4'-P-C4' energy: -100.285
flat angles P-C4'-P energy: -68.132
tors. eta vs tors. theta energy: -130.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1547.430240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.430240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.430240 (E_RNA)
where:
Base-Base interactions energy: -1073.589
where: short stacking energy: -456.373
Base-Backbone interact. energy: -2.214
local terms energy: -471.626417
where:
bonds (distance) C4'-P energy: -86.306
bonds (distance) P-C4' energy: -84.210
flat angles C4'-P-C4' energy: -109.561
flat angles P-C4'-P energy: -63.590
tors. eta vs tors. theta energy: -127.960
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: 8
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1385.370272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.370272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.370272 (E_RNA)
where:
Base-Base interactions energy: -945.843
where: short stacking energy: -379.334
Base-Backbone interact. energy: -2.657
local terms energy: -436.870237
where:
bonds (distance) C4'-P energy: -90.847
bonds (distance) P-C4' energy: -94.652
flat angles C4'-P-C4' energy: -96.409
flat angles P-C4'-P energy: -65.695
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: 7, replica: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1433.110431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.110431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.110431 (E_RNA)
where:
Base-Base interactions energy: -984.373
where: short stacking energy: -402.462
Base-Backbone interact. energy: -2.742
local terms energy: -445.994844
where:
bonds (distance) C4'-P energy: -77.634
bonds (distance) P-C4' energy: -98.194
flat angles C4'-P-C4' energy: -105.068
flat angles P-C4'-P energy: -59.175
tors. eta vs tors. theta energy: -105.925
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: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1280.972788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.972788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.972788 (E_RNA)
where:
Base-Base interactions energy: -874.494
where: short stacking energy: -358.587
Base-Backbone interact. energy: -1.555
local terms energy: -404.924122
where:
bonds (distance) C4'-P energy: -81.540
bonds (distance) P-C4' energy: -106.614
flat angles C4'-P-C4' energy: -93.515
flat angles P-C4'-P energy: -53.544
tors. eta vs tors. theta energy: -69.711
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: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -815.898817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.898817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.898817 (E_RNA)
where:
Base-Base interactions energy: -447.287
where: short stacking energy: -230.964
Base-Backbone interact. energy: 2.287
local terms energy: -370.898207
where:
bonds (distance) C4'-P energy: -82.147
bonds (distance) P-C4' energy: -103.996
flat angles C4'-P-C4' energy: -80.367
flat angles P-C4'-P energy: -67.878
tors. eta vs tors. theta energy: -36.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -547.521198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.521198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.521198 (E_RNA)
where:
Base-Base interactions energy: -274.515
where: short stacking energy: -170.189
Base-Backbone interact. energy: 2.643
local terms energy: -275.649690
where:
bonds (distance) C4'-P energy: -83.093
bonds (distance) P-C4' energy: -79.967
flat angles C4'-P-C4' energy: -65.573
flat angles P-C4'-P energy: -36.795
tors. eta vs tors. theta energy: -10.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1885.633146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.633146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.633146 (E_RNA)
where:
Base-Base interactions energy: -1338.879
where: short stacking energy: -549.406
Base-Backbone interact. energy: -3.384
local terms energy: -543.370850
where:
bonds (distance) C4'-P energy: -96.034
bonds (distance) P-C4' energy: -101.321
flat angles C4'-P-C4' energy: -117.477
flat angles P-C4'-P energy: -78.788
tors. eta vs tors. theta energy: -149.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1806.022111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.022111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.022111 (E_RNA)
where:
Base-Base interactions energy: -1263.188
where: short stacking energy: -507.485
Base-Backbone interact. energy: -3.374
local terms energy: -539.460432
where:
bonds (distance) C4'-P energy: -96.245
bonds (distance) P-C4' energy: -116.126
flat angles C4'-P-C4' energy: -123.611
flat angles P-C4'-P energy: -73.688
tors. eta vs tors. theta energy: -129.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1693.770598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.770598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.770598 (E_RNA)
where:
Base-Base interactions energy: -1165.234
where: short stacking energy: -482.030
Base-Backbone interact. energy: -3.831
local terms energy: -524.705625
where:
bonds (distance) C4'-P energy: -96.814
bonds (distance) P-C4' energy: -102.646
flat angles C4'-P-C4' energy: -116.991
flat angles P-C4'-P energy: -82.388
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: 4, replica: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1601.856066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.856066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.856066 (E_RNA)
where:
Base-Base interactions energy: -1104.760
where: short stacking energy: -453.831
Base-Backbone interact. energy: -2.856
local terms energy: -494.239555
where:
bonds (distance) C4'-P energy: -95.983
bonds (distance) P-C4' energy: -103.479
flat angles C4'-P-C4' energy: -105.900
flat angles P-C4'-P energy: -64.735
tors. eta vs tors. theta energy: -124.142
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: 103
Temperature: 1.100000
Total energy: -1516.907283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.907283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.907283 (E_RNA)
where:
Base-Base interactions energy: -1036.519
where: short stacking energy: -467.822
Base-Backbone interact. energy: 0.366
local terms energy: -480.753546
where:
bonds (distance) C4'-P energy: -97.191
bonds (distance) P-C4' energy: -90.725
flat angles C4'-P-C4' energy: -101.750
flat angles P-C4'-P energy: -66.893
tors. eta vs tors. theta energy: -124.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1467.378620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.378620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.378620 (E_RNA)
where:
Base-Base interactions energy: -1035.808
where: short stacking energy: -420.598
Base-Backbone interact. energy: -0.830
local terms energy: -430.739954
where:
bonds (distance) C4'-P energy: -83.177
bonds (distance) P-C4' energy: -79.855
flat angles C4'-P-C4' energy: -105.290
flat angles P-C4'-P energy: -62.376
tors. eta vs tors. theta energy: -100.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1307.849122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.849122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.849122 (E_RNA)
where:
Base-Base interactions energy: -882.166
where: short stacking energy: -385.681
Base-Backbone interact. energy: -1.582
local terms energy: -424.101315
where:
bonds (distance) C4'-P energy: -84.157
bonds (distance) P-C4' energy: -102.649
flat angles C4'-P-C4' energy: -90.539
flat angles P-C4'-P energy: -59.233
tors. eta vs tors. theta energy: -87.524
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: 103
Temperature: 1.250000
Total energy: -1222.959008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.959008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.959008 (E_RNA)
where:
Base-Base interactions energy: -859.280
where: short stacking energy: -349.942
Base-Backbone interact. energy: -0.527
local terms energy: -363.151767
where:
bonds (distance) C4'-P energy: -81.788
bonds (distance) P-C4' energy: -88.296
flat angles C4'-P-C4' energy: -91.426
flat angles P-C4'-P energy: -47.260
tors. eta vs tors. theta energy: -54.381
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: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -808.603877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.603877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.603877 (E_RNA)
where:
Base-Base interactions energy: -464.589
where: short stacking energy: -247.487
Base-Backbone interact. energy: -2.594
local terms energy: -341.420766
where:
bonds (distance) C4'-P energy: -65.877
bonds (distance) P-C4' energy: -88.509
flat angles C4'-P-C4' energy: -79.901
flat angles P-C4'-P energy: -58.783
tors. eta vs tors. theta energy: -48.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -543.527501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.527501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.527501 (E_RNA)
where:
Base-Base interactions energy: -273.957
where: short stacking energy: -159.117
Base-Backbone interact. energy: 0.177
local terms energy: -269.747518
where:
bonds (distance) C4'-P energy: -75.878
bonds (distance) P-C4' energy: -85.668
flat angles C4'-P-C4' energy: -82.234
flat angles P-C4'-P energy: -32.083
tors. eta vs tors. theta energy: 6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1914.159882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.159882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.159882 (E_RNA)
where:
Base-Base interactions energy: -1372.261
where: short stacking energy: -538.394
Base-Backbone interact. energy: -1.120
local terms energy: -540.778410
where:
bonds (distance) C4'-P energy: -94.902
bonds (distance) P-C4' energy: -100.686
flat angles C4'-P-C4' energy: -112.794
flat angles P-C4'-P energy: -79.893
tors. eta vs tors. theta energy: -152.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1790.003755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.003755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.003755 (E_RNA)
where:
Base-Base interactions energy: -1274.164
where: short stacking energy: -503.035
Base-Backbone interact. energy: 1.157
local terms energy: -516.996818
where:
bonds (distance) C4'-P energy: -106.110
bonds (distance) P-C4' energy: -104.489
flat angles C4'-P-C4' energy: -108.460
flat angles P-C4'-P energy: -68.052
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: 3, replica: 4
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1724.141694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.141694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.141694 (E_RNA)
where:
Base-Base interactions energy: -1197.842
where: short stacking energy: -501.159
Base-Backbone interact. energy: 0.755
local terms energy: -527.054773
where:
bonds (distance) C4'-P energy: -101.302
bonds (distance) P-C4' energy: -96.385
flat angles C4'-P-C4' energy: -112.761
flat angles P-C4'-P energy: -75.067
tors. eta vs tors. theta energy: -141.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1600.977315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.977315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.977315 (E_RNA)
where:
Base-Base interactions energy: -1094.462
where: short stacking energy: -478.439
Base-Backbone interact. energy: 1.875
local terms energy: -508.390614
where:
bonds (distance) C4'-P energy: -95.786
bonds (distance) P-C4' energy: -87.632
flat angles C4'-P-C4' energy: -122.490
flat angles P-C4'-P energy: -73.690
tors. eta vs tors. theta energy: -128.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1551.308559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.308559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.308559 (E_RNA)
where:
Base-Base interactions energy: -1071.411
where: short stacking energy: -455.392
Base-Backbone interact. energy: -1.095
local terms energy: -478.802337
where:
bonds (distance) C4'-P energy: -97.196
bonds (distance) P-C4' energy: -82.336
flat angles C4'-P-C4' energy: -111.330
flat angles P-C4'-P energy: -58.624
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: 6, replica: 3
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1449.533457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.533457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.533457 (E_RNA)
where:
Base-Base interactions energy: -990.135
where: short stacking energy: -429.226
Base-Backbone interact. energy: 2.081
local terms energy: -461.480319
where:
bonds (distance) C4'-P energy: -82.632
bonds (distance) P-C4' energy: -93.458
flat angles C4'-P-C4' energy: -104.753
flat angles P-C4'-P energy: -74.520
tors. eta vs tors. theta energy: -106.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1343.794837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.794837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.794837 (E_RNA)
where:
Base-Base interactions energy: -910.533
where: short stacking energy: -398.489
Base-Backbone interact. energy: -1.092
local terms energy: -432.169428
where:
bonds (distance) C4'-P energy: -90.886
bonds (distance) P-C4' energy: -87.598
flat angles C4'-P-C4' energy: -99.848
flat angles P-C4'-P energy: -61.623
tors. eta vs tors. theta energy: -92.215
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: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1243.697967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.697967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.697967 (E_RNA)
where:
Base-Base interactions energy: -830.152
where: short stacking energy: -358.277
Base-Backbone interact. energy: 6.905
local terms energy: -420.451069
where:
bonds (distance) C4'-P energy: -90.599
bonds (distance) P-C4' energy: -95.701
flat angles C4'-P-C4' energy: -81.778
flat angles P-C4'-P energy: -72.838
tors. eta vs tors. theta energy: -79.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -812.223870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.223870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.223870 (E_RNA)
where:
Base-Base interactions energy: -475.019
where: short stacking energy: -226.188
Base-Backbone interact. energy: -3.096
local terms energy: -334.108224
where:
bonds (distance) C4'-P energy: -85.316
bonds (distance) P-C4' energy: -84.845
flat angles C4'-P-C4' energy: -83.258
flat angles P-C4'-P energy: -50.063
tors. eta vs tors. theta energy: -30.626
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: 104
Temperature: 1.350000
Total energy: -550.525308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.525308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.525308 (E_RNA)
where:
Base-Base interactions energy: -271.479
where: short stacking energy: -161.561
Base-Backbone interact. energy: 0.712
local terms energy: -279.758396
where:
bonds (distance) C4'-P energy: -73.287
bonds (distance) P-C4' energy: -89.250
flat angles C4'-P-C4' energy: -70.010
flat angles P-C4'-P energy: -50.443
tors. eta vs tors. theta energy: 3.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1923.455929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.455929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.455929 (E_RNA)
where:
Base-Base interactions energy: -1357.753
where: short stacking energy: -520.627
Base-Backbone interact. energy: -4.820
local terms energy: -560.882818
where:
bonds (distance) C4'-P energy: -115.657
bonds (distance) P-C4' energy: -110.780
flat angles C4'-P-C4' energy: -119.972
flat angles P-C4'-P energy: -74.075
tors. eta vs tors. theta energy: -140.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1771.582748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.582748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.582748 (E_RNA)
where:
Base-Base interactions energy: -1228.769
where: short stacking energy: -513.022
Base-Backbone interact. energy: 0.200
local terms energy: -543.013783
where:
bonds (distance) C4'-P energy: -108.069
bonds (distance) P-C4' energy: -94.667
flat angles C4'-P-C4' energy: -118.662
flat angles P-C4'-P energy: -80.345
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: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1769.753284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.753284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.753284 (E_RNA)
where:
Base-Base interactions energy: -1238.668
where: short stacking energy: -497.581
Base-Backbone interact. energy: 1.888
local terms energy: -532.973819
where:
bonds (distance) C4'-P energy: -91.932
bonds (distance) P-C4' energy: -106.602
flat angles C4'-P-C4' energy: -118.114
flat angles P-C4'-P energy: -74.306
tors. eta vs tors. theta energy: -142.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1636.036958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.036958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.036958 (E_RNA)
where:
Base-Base interactions energy: -1139.103
where: short stacking energy: -484.178
Base-Backbone interact. energy: -1.146
local terms energy: -495.788306
where:
bonds (distance) C4'-P energy: -93.528
bonds (distance) P-C4' energy: -90.343
flat angles C4'-P-C4' energy: -108.934
flat angles P-C4'-P energy: -68.470
tors. eta vs tors. theta energy: -134.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1562.372845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.372845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.372845 (E_RNA)
where:
Base-Base interactions energy: -1071.597
where: short stacking energy: -471.737
Base-Backbone interact. energy: 0.458
local terms energy: -491.233777
where:
bonds (distance) C4'-P energy: -90.150
bonds (distance) P-C4' energy: -106.700
flat angles C4'-P-C4' energy: -109.014
flat angles P-C4'-P energy: -63.525
tors. eta vs tors. theta energy: -121.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1446.987522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.987522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.987522 (E_RNA)
where:
Base-Base interactions energy: -990.110
where: short stacking energy: -415.449
Base-Backbone interact. energy: -2.376
local terms energy: -454.502039
where:
bonds (distance) C4'-P energy: -96.967
bonds (distance) P-C4' energy: -83.461
flat angles C4'-P-C4' energy: -96.186
flat angles P-C4'-P energy: -67.445
tors. eta vs tors. theta energy: -110.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1346.182487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.182487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.182487 (E_RNA)
where:
Base-Base interactions energy: -961.864
where: short stacking energy: -397.233
Base-Backbone interact. energy: -0.800
local terms energy: -383.518189
where:
bonds (distance) C4'-P energy: -70.671
bonds (distance) P-C4' energy: -75.628
flat angles C4'-P-C4' energy: -88.749
flat angles P-C4'-P energy: -60.299
tors. eta vs tors. theta energy: -88.171
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: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1249.540813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.540813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.540813 (E_RNA)
where:
Base-Base interactions energy: -869.764
where: short stacking energy: -350.772
Base-Backbone interact. energy: -0.443
local terms energy: -379.333707
where:
bonds (distance) C4'-P energy: -88.078
bonds (distance) P-C4' energy: -73.021
flat angles C4'-P-C4' energy: -80.951
flat angles P-C4'-P energy: -66.516
tors. eta vs tors. theta energy: -70.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -824.207613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.207613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.207613 (E_RNA)
where:
Base-Base interactions energy: -497.956
where: short stacking energy: -231.164
Base-Backbone interact. energy: -2.443
local terms energy: -323.808624
where:
bonds (distance) C4'-P energy: -85.542
bonds (distance) P-C4' energy: -88.763
flat angles C4'-P-C4' energy: -89.713
flat angles P-C4'-P energy: -38.292
tors. eta vs tors. theta energy: -21.498
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: 105
Temperature: 1.350000
Total energy: -554.934985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.934985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.934985 (E_RNA)
where:
Base-Base interactions energy: -276.630
where: short stacking energy: -151.068
Base-Backbone interact. energy: 1.860
local terms energy: -280.165271
where:
bonds (distance) C4'-P energy: -84.089
bonds (distance) P-C4' energy: -89.456
flat angles C4'-P-C4' energy: -83.521
flat angles P-C4'-P energy: -43.512
tors. eta vs tors. theta energy: 20.412
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: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1932.942291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.942291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.942291 (E_RNA)
where:
Base-Base interactions energy: -1361.805
where: short stacking energy: -552.119
Base-Backbone interact. energy: -3.141
local terms energy: -567.996826
where:
bonds (distance) C4'-P energy: -97.269
bonds (distance) P-C4' energy: -110.911
flat angles C4'-P-C4' energy: -118.562
flat angles P-C4'-P energy: -86.000
tors. eta vs tors. theta energy: -155.255
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: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1745.176917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.176917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.176917 (E_RNA)
where:
Base-Base interactions energy: -1199.829
where: short stacking energy: -484.388
Base-Backbone interact. energy: -2.975
local terms energy: -542.372861
where:
bonds (distance) C4'-P energy: -104.089
bonds (distance) P-C4' energy: -109.720
flat angles C4'-P-C4' energy: -111.211
flat angles P-C4'-P energy: -79.591
tors. eta vs tors. theta energy: -137.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1767.154850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.154850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.154850 (E_RNA)
where:
Base-Base interactions energy: -1225.332
where: short stacking energy: -517.697
Base-Backbone interact. energy: 1.419
local terms energy: -543.242009
where:
bonds (distance) C4'-P energy: -92.188
bonds (distance) P-C4' energy: -102.664
flat angles C4'-P-C4' energy: -119.146
flat angles P-C4'-P energy: -83.918
tors. eta vs tors. theta energy: -145.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1676.435552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.435552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.435552 (E_RNA)
where:
Base-Base interactions energy: -1134.792
where: short stacking energy: -514.841
Base-Backbone interact. energy: 0.275
local terms energy: -541.918300
where:
bonds (distance) C4'-P energy: -109.577
bonds (distance) P-C4' energy: -85.498
flat angles C4'-P-C4' energy: -118.709
flat angles P-C4'-P energy: -77.692
tors. eta vs tors. theta energy: -150.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1554.077746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.077746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.077746 (E_RNA)
where:
Base-Base interactions energy: -1066.778
where: short stacking energy: -466.483
Base-Backbone interact. energy: -2.083
local terms energy: -485.217094
where:
bonds (distance) C4'-P energy: -97.594
bonds (distance) P-C4' energy: -82.987
flat angles C4'-P-C4' energy: -111.616
flat angles P-C4'-P energy: -62.412
tors. eta vs tors. theta energy: -130.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1471.511663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.511663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.511663 (E_RNA)
where:
Base-Base interactions energy: -1034.924
where: short stacking energy: -420.749
Base-Backbone interact. energy: -1.935
local terms energy: -434.652892
where:
bonds (distance) C4'-P energy: -88.884
bonds (distance) P-C4' energy: -86.551
flat angles C4'-P-C4' energy: -104.655
flat angles P-C4'-P energy: -45.463
tors. eta vs tors. theta energy: -109.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1292.130138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.130138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.130138 (E_RNA)
where:
Base-Base interactions energy: -876.738
where: short stacking energy: -385.245
Base-Backbone interact. energy: 0.669
local terms energy: -416.060679
where:
bonds (distance) C4'-P energy: -87.431
bonds (distance) P-C4' energy: -93.164
flat angles C4'-P-C4' energy: -96.781
flat angles P-C4'-P energy: -54.202
tors. eta vs tors. theta energy: -84.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1272.534677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.534677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.534677 (E_RNA)
where:
Base-Base interactions energy: -843.371
where: short stacking energy: -362.728
Base-Backbone interact. energy: -2.097
local terms energy: -427.067245
where:
bonds (distance) C4'-P energy: -89.250
bonds (distance) P-C4' energy: -80.369
flat angles C4'-P-C4' energy: -98.962
flat angles P-C4'-P energy: -78.383
tors. eta vs tors. theta energy: -80.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -776.407948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.407948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.407948 (E_RNA)
where:
Base-Base interactions energy: -445.336
where: short stacking energy: -216.593
Base-Backbone interact. energy: -2.365
local terms energy: -328.707842
where:
bonds (distance) C4'-P energy: -76.873
bonds (distance) P-C4' energy: -96.809
flat angles C4'-P-C4' energy: -84.357
flat angles P-C4'-P energy: -39.791
tors. eta vs tors. theta energy: -30.878
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: 106
Temperature: 1.350000
Total energy: -596.235486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.235486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.235486 (E_RNA)
where:
Base-Base interactions energy: -317.588
where: short stacking energy: -170.997
Base-Backbone interact. energy: 1.943
local terms energy: -280.590637
where:
bonds (distance) C4'-P energy: -74.581
bonds (distance) P-C4' energy: -80.765
flat angles C4'-P-C4' energy: -76.560
flat angles P-C4'-P energy: -57.896
tors. eta vs tors. theta energy: 9.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1922.976080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.976080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.976080 (E_RNA)
where:
Base-Base interactions energy: -1362.395
where: short stacking energy: -553.270
Base-Backbone interact. energy: -2.824
local terms energy: -557.757083
where:
bonds (distance) C4'-P energy: -91.525
bonds (distance) P-C4' energy: -110.436
flat angles C4'-P-C4' energy: -119.538
flat angles P-C4'-P energy: -81.146
tors. eta vs tors. theta energy: -155.113
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: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1768.732421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.732421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.732421 (E_RNA)
where:
Base-Base interactions energy: -1234.600
where: short stacking energy: -512.750
Base-Backbone interact. energy: -2.395
local terms energy: -531.737222
where:
bonds (distance) C4'-P energy: -90.461
bonds (distance) P-C4' energy: -103.594
flat angles C4'-P-C4' energy: -109.279
flat angles P-C4'-P energy: -87.710
tors. eta vs tors. theta energy: -140.694
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: 107
Temperature: 1.000000
Total energy: -1774.874077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.874077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.874077 (E_RNA)
where:
Base-Base interactions energy: -1248.057
where: short stacking energy: -509.865
Base-Backbone interact. energy: 0.950
local terms energy: -527.766244
where:
bonds (distance) C4'-P energy: -97.147
bonds (distance) P-C4' energy: -95.925
flat angles C4'-P-C4' energy: -119.539
flat angles P-C4'-P energy: -73.330
tors. eta vs tors. theta energy: -141.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1630.046156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.046156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.046156 (E_RNA)
where:
Base-Base interactions energy: -1136.921
where: short stacking energy: -466.273
Base-Backbone interact. energy: -0.269
local terms energy: -492.855413
where:
bonds (distance) C4'-P energy: -93.114
bonds (distance) P-C4' energy: -102.685
flat angles C4'-P-C4' energy: -105.724
flat angles P-C4'-P energy: -67.793
tors. eta vs tors. theta energy: -123.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1528.575758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.575758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.575758 (E_RNA)
where:
Base-Base interactions energy: -1046.458
where: short stacking energy: -434.592
Base-Backbone interact. energy: -0.986
local terms energy: -481.131259
where:
bonds (distance) C4'-P energy: -81.221
bonds (distance) P-C4' energy: -92.187
flat angles C4'-P-C4' energy: -113.032
flat angles P-C4'-P energy: -81.320
tors. eta vs tors. theta energy: -113.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1494.938471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.938471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.938471 (E_RNA)
where:
Base-Base interactions energy: -1042.994
where: short stacking energy: -430.057
Base-Backbone interact. energy: -0.073
local terms energy: -451.871564
where:
bonds (distance) C4'-P energy: -79.002
bonds (distance) P-C4' energy: -95.987
flat angles C4'-P-C4' energy: -99.569
flat angles P-C4'-P energy: -64.528
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: 107
Temperature: 1.200000
Total energy: -1325.802085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.802085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.802085 (E_RNA)
where:
Base-Base interactions energy: -896.966
where: short stacking energy: -370.757
Base-Backbone interact. energy: -2.016
local terms energy: -426.820414
where:
bonds (distance) C4'-P energy: -84.134
bonds (distance) P-C4' energy: -89.229
flat angles C4'-P-C4' energy: -103.723
flat angles P-C4'-P energy: -64.790
tors. eta vs tors. theta energy: -84.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1227.961349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.961349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.961349 (E_RNA)
where:
Base-Base interactions energy: -817.812
where: short stacking energy: -363.282
Base-Backbone interact. energy: -0.709
local terms energy: -409.440809
where:
bonds (distance) C4'-P energy: -78.714
bonds (distance) P-C4' energy: -94.781
flat angles C4'-P-C4' energy: -106.188
flat angles P-C4'-P energy: -59.830
tors. eta vs tors. theta energy: -69.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -779.057927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.057927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.057927 (E_RNA)
where:
Base-Base interactions energy: -480.849
where: short stacking energy: -238.690
Base-Backbone interact. energy: 3.149
local terms energy: -301.357888
where:
bonds (distance) C4'-P energy: -79.817
bonds (distance) P-C4' energy: -87.521
flat angles C4'-P-C4' energy: -71.034
flat angles P-C4'-P energy: -36.709
tors. eta vs tors. theta energy: -26.278
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: 107
Temperature: 1.350000
Total energy: -560.031386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.031386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.031386 (E_RNA)
where:
Base-Base interactions energy: -268.051
where: short stacking energy: -165.016
Base-Backbone interact. energy: 3.044
local terms energy: -295.024055
where:
bonds (distance) C4'-P energy: -80.640
bonds (distance) P-C4' energy: -102.505
flat angles C4'-P-C4' energy: -68.774
flat angles P-C4'-P energy: -42.744
tors. eta vs tors. theta energy: -0.360
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: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1950.773667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.773667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.773667 (E_RNA)
where:
Base-Base interactions energy: -1379.102
where: short stacking energy: -550.287
Base-Backbone interact. energy: -1.859
local terms energy: -569.812331
where:
bonds (distance) C4'-P energy: -99.469
bonds (distance) P-C4' energy: -103.567
flat angles C4'-P-C4' energy: -122.654
flat angles P-C4'-P energy: -84.115
tors. eta vs tors. theta energy: -160.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1746.726461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.726461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.726461 (E_RNA)
where:
Base-Base interactions energy: -1236.073
where: short stacking energy: -488.936
Base-Backbone interact. energy: -4.467
local terms energy: -506.186765
where:
bonds (distance) C4'-P energy: -89.556
bonds (distance) P-C4' energy: -102.681
flat angles C4'-P-C4' energy: -115.058
flat angles P-C4'-P energy: -73.269
tors. eta vs tors. theta energy: -125.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1774.981677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.981677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.981677 (E_RNA)
where:
Base-Base interactions energy: -1234.201
where: short stacking energy: -526.912
Base-Backbone interact. energy: -3.292
local terms energy: -537.487970
where:
bonds (distance) C4'-P energy: -106.377
bonds (distance) P-C4' energy: -97.965
flat angles C4'-P-C4' energy: -115.048
flat angles P-C4'-P energy: -69.616
tors. eta vs tors. theta energy: -148.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1626.066189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.066189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.066189 (E_RNA)
where:
Base-Base interactions energy: -1095.974
where: short stacking energy: -484.167
Base-Backbone interact. energy: -2.038
local terms energy: -528.053882
where:
bonds (distance) C4'-P energy: -103.627
bonds (distance) P-C4' energy: -97.495
flat angles C4'-P-C4' energy: -110.497
flat angles P-C4'-P energy: -85.804
tors. eta vs tors. theta energy: -130.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1504.869614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.869614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.869614 (E_RNA)
where:
Base-Base interactions energy: -1033.661
where: short stacking energy: -426.643
Base-Backbone interact. energy: 0.627
local terms energy: -471.835333
where:
bonds (distance) C4'-P energy: -99.367
bonds (distance) P-C4' energy: -99.477
flat angles C4'-P-C4' energy: -97.335
flat angles P-C4'-P energy: -68.573
tors. eta vs tors. theta energy: -107.084
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: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1481.351230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.351230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.351230 (E_RNA)
where:
Base-Base interactions energy: -1025.024
where: short stacking energy: -417.569
Base-Backbone interact. energy: 1.240
local terms energy: -457.567433
where:
bonds (distance) C4'-P energy: -95.754
bonds (distance) P-C4' energy: -92.307
flat angles C4'-P-C4' energy: -106.538
flat angles P-C4'-P energy: -50.929
tors. eta vs tors. theta energy: -112.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1369.853092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.853092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.853092 (E_RNA)
where:
Base-Base interactions energy: -906.008
where: short stacking energy: -379.711
Base-Backbone interact. energy: -2.628
local terms energy: -461.217581
where:
bonds (distance) C4'-P energy: -98.974
bonds (distance) P-C4' energy: -108.171
flat angles C4'-P-C4' energy: -96.221
flat angles P-C4'-P energy: -60.294
tors. eta vs tors. theta energy: -97.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1233.230766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.230766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.230766 (E_RNA)
where:
Base-Base interactions energy: -824.255
where: short stacking energy: -365.276
Base-Backbone interact. energy: -1.170
local terms energy: -407.806458
where:
bonds (distance) C4'-P energy: -69.215
bonds (distance) P-C4' energy: -100.681
flat angles C4'-P-C4' energy: -95.745
flat angles P-C4'-P energy: -67.811
tors. eta vs tors. theta energy: -74.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -801.440856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.440856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.440856 (E_RNA)
where:
Base-Base interactions energy: -459.545
where: short stacking energy: -218.992
Base-Backbone interact. energy: -1.577
local terms energy: -340.318923
where:
bonds (distance) C4'-P energy: -86.521
bonds (distance) P-C4' energy: -93.846
flat angles C4'-P-C4' energy: -89.165
flat angles P-C4'-P energy: -52.542
tors. eta vs tors. theta energy: -18.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -589.556932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.556932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.556932 (E_RNA)
where:
Base-Base interactions energy: -301.331
where: short stacking energy: -174.973
Base-Backbone interact. energy: -0.884
local terms energy: -287.341849
where:
bonds (distance) C4'-P energy: -96.003
bonds (distance) P-C4' energy: -90.045
flat angles C4'-P-C4' energy: -70.756
flat angles P-C4'-P energy: -33.935
tors. eta vs tors. theta energy: 3.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1933.700358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.700358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.700358 (E_RNA)
where:
Base-Base interactions energy: -1373.604
where: short stacking energy: -573.206
Base-Backbone interact. energy: -2.743
local terms energy: -557.353795
where:
bonds (distance) C4'-P energy: -91.317
bonds (distance) P-C4' energy: -107.134
flat angles C4'-P-C4' energy: -113.068
flat angles P-C4'-P energy: -83.751
tors. eta vs tors. theta energy: -162.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1820.119672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.119672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.119672 (E_RNA)
where:
Base-Base interactions energy: -1282.666
where: short stacking energy: -538.305
Base-Backbone interact. energy: 2.095
local terms energy: -539.549087
where:
bonds (distance) C4'-P energy: -97.105
bonds (distance) P-C4' energy: -100.482
flat angles C4'-P-C4' energy: -105.199
flat angles P-C4'-P energy: -85.668
tors. eta vs tors. theta energy: -151.095
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: 4
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1718.276869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.276869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.276869 (E_RNA)
where:
Base-Base interactions energy: -1202.065
where: short stacking energy: -521.401
Base-Backbone interact. energy: 0.780
local terms energy: -516.992049
where:
bonds (distance) C4'-P energy: -93.862
bonds (distance) P-C4' energy: -102.433
flat angles C4'-P-C4' energy: -110.982
flat angles P-C4'-P energy: -72.649
tors. eta vs tors. theta energy: -137.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1630.341279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.341279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.341279 (E_RNA)
where:
Base-Base interactions energy: -1137.368
where: short stacking energy: -466.059
Base-Backbone interact. energy: -0.546
local terms energy: -492.428068
where:
bonds (distance) C4'-P energy: -96.760
bonds (distance) P-C4' energy: -94.625
flat angles C4'-P-C4' energy: -109.347
flat angles P-C4'-P energy: -62.682
tors. eta vs tors. theta energy: -129.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1530.329648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.329648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.329648 (E_RNA)
where:
Base-Base interactions energy: -1068.296
where: short stacking energy: -455.710
Base-Backbone interact. energy: -3.570
local terms energy: -458.464112
where:
bonds (distance) C4'-P energy: -83.914
bonds (distance) P-C4' energy: -81.621
flat angles C4'-P-C4' energy: -103.518
flat angles P-C4'-P energy: -66.577
tors. eta vs tors. theta energy: -122.835
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: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1445.885300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.885300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.885300 (E_RNA)
where:
Base-Base interactions energy: -1004.533
where: short stacking energy: -419.793
Base-Backbone interact. energy: -1.434
local terms energy: -439.917860
where:
bonds (distance) C4'-P energy: -91.803
bonds (distance) P-C4' energy: -80.083
flat angles C4'-P-C4' energy: -104.459
flat angles P-C4'-P energy: -62.219
tors. eta vs tors. theta energy: -101.354
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: 109
Temperature: 1.200000
Total energy: -1372.989232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.989232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.989232 (E_RNA)
where:
Base-Base interactions energy: -943.246
where: short stacking energy: -394.887
Base-Backbone interact. energy: -1.711
local terms energy: -428.032032
where:
bonds (distance) C4'-P energy: -90.948
bonds (distance) P-C4' energy: -91.351
flat angles C4'-P-C4' energy: -93.183
flat angles P-C4'-P energy: -54.495
tors. eta vs tors. theta energy: -98.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1218.615729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.615729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.615729 (E_RNA)
where:
Base-Base interactions energy: -817.953
where: short stacking energy: -349.905
Base-Backbone interact. energy: 0.122
local terms energy: -400.785219
where:
bonds (distance) C4'-P energy: -100.170
bonds (distance) P-C4' energy: -76.482
flat angles C4'-P-C4' energy: -95.327
flat angles P-C4'-P energy: -56.924
tors. eta vs tors. theta energy: -71.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -784.905797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.905797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.905797 (E_RNA)
where:
Base-Base interactions energy: -455.516
where: short stacking energy: -226.979
Base-Backbone interact. energy: -2.842
local terms energy: -326.547212
where:
bonds (distance) C4'-P energy: -83.029
bonds (distance) P-C4' energy: -86.241
flat angles C4'-P-C4' energy: -77.521
flat angles P-C4'-P energy: -65.663
tors. eta vs tors. theta energy: -14.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -645.647052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.647052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.647052 (E_RNA)
where:
Base-Base interactions energy: -339.200
where: short stacking energy: -189.961
Base-Backbone interact. energy: 1.778
local terms energy: -308.225492
where:
bonds (distance) C4'-P energy: -84.405
bonds (distance) P-C4' energy: -90.828
flat angles C4'-P-C4' energy: -80.366
flat angles P-C4'-P energy: -39.389
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1958.663601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.663601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.663601 (E_RNA)
where:
Base-Base interactions energy: -1397.893
where: short stacking energy: -551.081
Base-Backbone interact. energy: -4.126
local terms energy: -556.644059
where:
bonds (distance) C4'-P energy: -93.005
bonds (distance) P-C4' energy: -106.308
flat angles C4'-P-C4' energy: -117.010
flat angles P-C4'-P energy: -79.183
tors. eta vs tors. theta energy: -161.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1829.766540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.766540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.766540 (E_RNA)
where:
Base-Base interactions energy: -1268.489
where: short stacking energy: -523.465
Base-Backbone interact. energy: -2.828
local terms energy: -558.449013
where:
bonds (distance) C4'-P energy: -94.927
bonds (distance) P-C4' energy: -106.371
flat angles C4'-P-C4' energy: -119.123
flat angles P-C4'-P energy: -79.050
tors. eta vs tors. theta energy: -158.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1720.989158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.989158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.989158 (E_RNA)
where:
Base-Base interactions energy: -1182.304
where: short stacking energy: -480.053
Base-Backbone interact. energy: -0.907
local terms energy: -537.777908
where:
bonds (distance) C4'-P energy: -105.776
bonds (distance) P-C4' energy: -107.269
flat angles C4'-P-C4' energy: -108.593
flat angles P-C4'-P energy: -78.072
tors. eta vs tors. theta energy: -138.067
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: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1632.597319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.597319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.597319 (E_RNA)
where:
Base-Base interactions energy: -1109.005
where: short stacking energy: -480.960
Base-Backbone interact. energy: -2.579
local terms energy: -521.013384
where:
bonds (distance) C4'-P energy: -98.366
bonds (distance) P-C4' energy: -97.514
flat angles C4'-P-C4' energy: -124.390
flat angles P-C4'-P energy: -73.690
tors. eta vs tors. theta energy: -127.053
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: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1538.048404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.048404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.048404 (E_RNA)
where:
Base-Base interactions energy: -1051.635
where: short stacking energy: -427.262
Base-Backbone interact. energy: -1.499
local terms energy: -484.914344
where:
bonds (distance) C4'-P energy: -89.444
bonds (distance) P-C4' energy: -98.330
flat angles C4'-P-C4' energy: -108.551
flat angles P-C4'-P energy: -68.704
tors. eta vs tors. theta energy: -119.886
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: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1446.236195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.236195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.236195 (E_RNA)
where:
Base-Base interactions energy: -991.105
where: short stacking energy: -423.729
Base-Backbone interact. energy: 1.690
local terms energy: -456.820844
where:
bonds (distance) C4'-P energy: -79.806
bonds (distance) P-C4' energy: -96.378
flat angles C4'-P-C4' energy: -105.446
flat angles P-C4'-P energy: -66.625
tors. eta vs tors. theta energy: -108.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1263.745347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.745347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.745347 (E_RNA)
where:
Base-Base interactions energy: -844.022
where: short stacking energy: -365.105
Base-Backbone interact. energy: -2.288
local terms energy: -417.435856
where:
bonds (distance) C4'-P energy: -87.093
bonds (distance) P-C4' energy: -101.953
flat angles C4'-P-C4' energy: -96.248
flat angles P-C4'-P energy: -66.805
tors. eta vs tors. theta energy: -65.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1228.299542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.299542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.299542 (E_RNA)
where:
Base-Base interactions energy: -807.290
where: short stacking energy: -331.236
Base-Backbone interact. energy: 1.505
local terms energy: -422.515048
where:
bonds (distance) C4'-P energy: -90.617
bonds (distance) P-C4' energy: -86.249
flat angles C4'-P-C4' energy: -97.271
flat angles P-C4'-P energy: -64.195
tors. eta vs tors. theta energy: -84.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -777.893079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.893079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.893079 (E_RNA)
where:
Base-Base interactions energy: -454.972
where: short stacking energy: -236.517
Base-Backbone interact. energy: -1.744
local terms energy: -321.177535
where:
bonds (distance) C4'-P energy: -78.834
bonds (distance) P-C4' energy: -82.617
flat angles C4'-P-C4' energy: -85.324
flat angles P-C4'-P energy: -49.279
tors. eta vs tors. theta energy: -25.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -662.836397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.836397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.836397 (E_RNA)
where:
Base-Base interactions energy: -392.764
where: short stacking energy: -209.042
Base-Backbone interact. energy: -1.266
local terms energy: -268.806695
where:
bonds (distance) C4'-P energy: -73.908
bonds (distance) P-C4' energy: -85.424
flat angles C4'-P-C4' energy: -61.473
flat angles P-C4'-P energy: -43.148
tors. eta vs tors. theta energy: -4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1888.328241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.328241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.328241 (E_RNA)
where:
Base-Base interactions energy: -1351.887
where: short stacking energy: -543.278
Base-Backbone interact. energy: -3.732
local terms energy: -532.708984
where:
bonds (distance) C4'-P energy: -96.309
bonds (distance) P-C4' energy: -97.001
flat angles C4'-P-C4' energy: -112.374
flat angles P-C4'-P energy: -74.069
tors. eta vs tors. theta energy: -152.957
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: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1790.665963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.665963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.665963 (E_RNA)
where:
Base-Base interactions energy: -1256.944
where: short stacking energy: -531.864
Base-Backbone interact. energy: -3.746
local terms energy: -529.975894
where:
bonds (distance) C4'-P energy: -78.620
bonds (distance) P-C4' energy: -107.272
flat angles C4'-P-C4' energy: -122.579
flat angles P-C4'-P energy: -72.558
tors. eta vs tors. theta energy: -148.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1738.869406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.869406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.869406 (E_RNA)
where:
Base-Base interactions energy: -1180.937
where: short stacking energy: -487.966
Base-Backbone interact. energy: -4.128
local terms energy: -553.803881
where:
bonds (distance) C4'-P energy: -108.613
bonds (distance) P-C4' energy: -107.961
flat angles C4'-P-C4' energy: -114.716
flat angles P-C4'-P energy: -78.809
tors. eta vs tors. theta energy: -143.705
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: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1585.723786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.723786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.723786 (E_RNA)
where:
Base-Base interactions energy: -1092.753
where: short stacking energy: -468.981
Base-Backbone interact. energy: -1.471
local terms energy: -491.500231
where:
bonds (distance) C4'-P energy: -97.821
bonds (distance) P-C4' energy: -96.560
flat angles C4'-P-C4' energy: -109.728
flat angles P-C4'-P energy: -64.503
tors. eta vs tors. theta energy: -122.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1564.030625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.030625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.030625 (E_RNA)
where:
Base-Base interactions energy: -1102.453
where: short stacking energy: -451.244
Base-Backbone interact. energy: -1.530
local terms energy: -460.048063
where:
bonds (distance) C4'-P energy: -89.101
bonds (distance) P-C4' energy: -90.535
flat angles C4'-P-C4' energy: -107.354
flat angles P-C4'-P energy: -55.868
tors. eta vs tors. theta energy: -117.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1496.862533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.862533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.862533 (E_RNA)
where:
Base-Base interactions energy: -1053.240
where: short stacking energy: -449.647
Base-Backbone interact. energy: -2.039
local terms energy: -441.583396
where:
bonds (distance) C4'-P energy: -60.932
bonds (distance) P-C4' energy: -87.122
flat angles C4'-P-C4' energy: -113.676
flat angles P-C4'-P energy: -63.415
tors. eta vs tors. theta energy: -116.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1195.360190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.360190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.360190 (E_RNA)
where:
Base-Base interactions energy: -792.367
where: short stacking energy: -339.667
Base-Backbone interact. energy: -0.160
local terms energy: -402.832786
where:
bonds (distance) C4'-P energy: -73.375
bonds (distance) P-C4' energy: -99.577
flat angles C4'-P-C4' energy: -91.590
flat angles P-C4'-P energy: -70.392
tors. eta vs tors. theta energy: -67.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1135.212496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.212496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.212496 (E_RNA)
where:
Base-Base interactions energy: -786.758
where: short stacking energy: -333.817
Base-Backbone interact. energy: 4.874
local terms energy: -353.328683
where:
bonds (distance) C4'-P energy: -86.857
bonds (distance) P-C4' energy: -78.864
flat angles C4'-P-C4' energy: -79.756
flat angles P-C4'-P energy: -48.264
tors. eta vs tors. theta energy: -59.588
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: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -802.688166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.688166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.688166 (E_RNA)
where:
Base-Base interactions energy: -473.217
where: short stacking energy: -242.851
Base-Backbone interact. energy: 2.673
local terms energy: -332.144448
where:
bonds (distance) C4'-P energy: -95.032
bonds (distance) P-C4' energy: -79.197
flat angles C4'-P-C4' energy: -93.830
flat angles P-C4'-P energy: -51.022
tors. eta vs tors. theta energy: -13.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -581.652021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.652021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.652021 (E_RNA)
where:
Base-Base interactions energy: -285.720
where: short stacking energy: -140.413
Base-Backbone interact. energy: -1.421
local terms energy: -294.510576
where:
bonds (distance) C4'-P energy: -94.641
bonds (distance) P-C4' energy: -89.970
flat angles C4'-P-C4' energy: -70.183
flat angles P-C4'-P energy: -42.945
tors. eta vs tors. theta energy: 3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1917.222571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.222571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.222571 (E_RNA)
where:
Base-Base interactions energy: -1340.077
where: short stacking energy: -540.534
Base-Backbone interact. energy: -4.871
local terms energy: -572.273772
where:
bonds (distance) C4'-P energy: -114.397
bonds (distance) P-C4' energy: -106.096
flat angles C4'-P-C4' energy: -119.536
flat angles P-C4'-P energy: -85.888
tors. eta vs tors. theta energy: -146.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1811.547109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.547109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.547109 (E_RNA)
where:
Base-Base interactions energy: -1258.928
where: short stacking energy: -529.280
Base-Backbone interact. energy: -3.214
local terms energy: -549.404662
where:
bonds (distance) C4'-P energy: -110.032
bonds (distance) P-C4' energy: -97.897
flat angles C4'-P-C4' energy: -115.032
flat angles P-C4'-P energy: -75.544
tors. eta vs tors. theta energy: -150.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1761.774046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.774046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.774046 (E_RNA)
where:
Base-Base interactions energy: -1251.763
where: short stacking energy: -502.188
Base-Backbone interact. energy: 5.508
local terms energy: -515.518966
where:
bonds (distance) C4'-P energy: -98.226
bonds (distance) P-C4' energy: -94.651
flat angles C4'-P-C4' energy: -110.423
flat angles P-C4'-P energy: -66.443
tors. eta vs tors. theta energy: -145.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1596.973989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.973989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.973989 (E_RNA)
where:
Base-Base interactions energy: -1102.294
where: short stacking energy: -467.051
Base-Backbone interact. energy: -1.505
local terms energy: -493.175085
where:
bonds (distance) C4'-P energy: -95.515
bonds (distance) P-C4' energy: -101.180
flat angles C4'-P-C4' energy: -114.888
flat angles P-C4'-P energy: -63.361
tors. eta vs tors. theta energy: -118.232
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: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1517.415887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.415887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.415887 (E_RNA)
where:
Base-Base interactions energy: -1048.385
where: short stacking energy: -436.061
Base-Backbone interact. energy: -1.360
local terms energy: -467.671520
where:
bonds (distance) C4'-P energy: -84.898
bonds (distance) P-C4' energy: -101.737
flat angles C4'-P-C4' energy: -98.199
flat angles P-C4'-P energy: -65.107
tors. eta vs tors. theta energy: -117.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1546.489145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.489145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.489145 (E_RNA)
where:
Base-Base interactions energy: -1074.111
where: short stacking energy: -439.771
Base-Backbone interact. energy: -0.347
local terms energy: -472.030417
where:
bonds (distance) C4'-P energy: -86.751
bonds (distance) P-C4' energy: -94.683
flat angles C4'-P-C4' energy: -106.878
flat angles P-C4'-P energy: -73.898
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: 8
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1279.219446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.219446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.219446 (E_RNA)
where:
Base-Base interactions energy: -883.860
where: short stacking energy: -377.208
Base-Backbone interact. energy: 6.296
local terms energy: -401.655119
where:
bonds (distance) C4'-P energy: -79.659
bonds (distance) P-C4' energy: -91.447
flat angles C4'-P-C4' energy: -99.622
flat angles P-C4'-P energy: -61.022
tors. eta vs tors. theta energy: -69.904
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: 112
Temperature: 1.250000
Total energy: -1184.756555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.756555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.756555 (E_RNA)
where:
Base-Base interactions energy: -774.099
where: short stacking energy: -324.909
Base-Backbone interact. energy: -2.581
local terms energy: -408.076141
where:
bonds (distance) C4'-P energy: -85.179
bonds (distance) P-C4' energy: -89.029
flat angles C4'-P-C4' energy: -93.840
flat angles P-C4'-P energy: -70.327
tors. eta vs tors. theta energy: -69.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -795.349012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.349012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.349012 (E_RNA)
where:
Base-Base interactions energy: -479.125
where: short stacking energy: -220.263
Base-Backbone interact. energy: -0.206
local terms energy: -316.018433
where:
bonds (distance) C4'-P energy: -78.215
bonds (distance) P-C4' energy: -89.519
flat angles C4'-P-C4' energy: -78.821
flat angles P-C4'-P energy: -44.822
tors. eta vs tors. theta energy: -24.641
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: 112
Temperature: 1.350000
Total energy: -506.082335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.082335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.082335 (E_RNA)
where:
Base-Base interactions energy: -242.108
where: short stacking energy: -135.395
Base-Backbone interact. energy: 4.130
local terms energy: -268.104063
where:
bonds (distance) C4'-P energy: -92.766
bonds (distance) P-C4' energy: -94.098
flat angles C4'-P-C4' energy: -61.652
flat angles P-C4'-P energy: -37.197
tors. eta vs tors. theta energy: 17.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1910.531922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.531922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.531922 (E_RNA)
where:
Base-Base interactions energy: -1345.727
where: short stacking energy: -555.849
Base-Backbone interact. energy: -1.322
local terms energy: -563.483447
where:
bonds (distance) C4'-P energy: -107.484
bonds (distance) P-C4' energy: -103.705
flat angles C4'-P-C4' energy: -121.413
flat angles P-C4'-P energy: -77.601
tors. eta vs tors. theta energy: -153.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1789.104083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.104083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.104083 (E_RNA)
where:
Base-Base interactions energy: -1256.331
where: short stacking energy: -516.717
Base-Backbone interact. energy: -1.775
local terms energy: -530.997887
where:
bonds (distance) C4'-P energy: -85.472
bonds (distance) P-C4' energy: -98.435
flat angles C4'-P-C4' energy: -116.582
flat angles P-C4'-P energy: -81.086
tors. eta vs tors. theta energy: -149.422
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: 113
Temperature: 1.000000
Total energy: -1795.930335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.930335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.930335 (E_RNA)
where:
Base-Base interactions energy: -1242.989
where: short stacking energy: -488.602
Base-Backbone interact. energy: -1.027
local terms energy: -551.914527
where:
bonds (distance) C4'-P energy: -103.631
bonds (distance) P-C4' energy: -110.294
flat angles C4'-P-C4' energy: -121.376
flat angles P-C4'-P energy: -68.519
tors. eta vs tors. theta energy: -148.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1576.776803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.776803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.776803 (E_RNA)
where:
Base-Base interactions energy: -1072.018
where: short stacking energy: -451.177
Base-Backbone interact. energy: -2.635
local terms energy: -502.123038
where:
bonds (distance) C4'-P energy: -108.293
bonds (distance) P-C4' energy: -79.754
flat angles C4'-P-C4' energy: -110.234
flat angles P-C4'-P energy: -80.544
tors. eta vs tors. theta energy: -123.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1555.767667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.767667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.767667 (E_RNA)
where:
Base-Base interactions energy: -1050.640
where: short stacking energy: -474.173
Base-Backbone interact. energy: 0.056
local terms energy: -505.183173
where:
bonds (distance) C4'-P energy: -92.149
bonds (distance) P-C4' energy: -104.361
flat angles C4'-P-C4' energy: -101.987
flat angles P-C4'-P energy: -73.112
tors. eta vs tors. theta energy: -133.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1534.023191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.023191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.023191 (E_RNA)
where:
Base-Base interactions energy: -1052.025
where: short stacking energy: -459.829
Base-Backbone interact. energy: 3.033
local terms energy: -485.031232
where:
bonds (distance) C4'-P energy: -93.111
bonds (distance) P-C4' energy: -91.876
flat angles C4'-P-C4' energy: -113.794
flat angles P-C4'-P energy: -72.408
tors. eta vs tors. theta energy: -113.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1280.340796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.340796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.340796 (E_RNA)
where:
Base-Base interactions energy: -852.333
where: short stacking energy: -362.987
Base-Backbone interact. energy: -1.288
local terms energy: -426.720182
where:
bonds (distance) C4'-P energy: -86.258
bonds (distance) P-C4' energy: -99.665
flat angles C4'-P-C4' energy: -97.721
flat angles P-C4'-P energy: -62.626
tors. eta vs tors. theta energy: -80.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1119.774742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.774742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.774742 (E_RNA)
where:
Base-Base interactions energy: -763.306
where: short stacking energy: -307.792
Base-Backbone interact. energy: -1.287
local terms energy: -355.181436
where:
bonds (distance) C4'-P energy: -84.011
bonds (distance) P-C4' energy: -84.440
flat angles C4'-P-C4' energy: -80.223
flat angles P-C4'-P energy: -54.691
tors. eta vs tors. theta energy: -51.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -808.646899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.646899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.646899 (E_RNA)
where:
Base-Base interactions energy: -490.578
where: short stacking energy: -249.763
Base-Backbone interact. energy: 1.145
local terms energy: -319.214547
where:
bonds (distance) C4'-P energy: -78.891
bonds (distance) P-C4' energy: -74.086
flat angles C4'-P-C4' energy: -73.248
flat angles P-C4'-P energy: -53.356
tors. eta vs tors. theta energy: -39.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -534.959408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.959408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.959408 (E_RNA)
where:
Base-Base interactions energy: -249.110
where: short stacking energy: -163.527
Base-Backbone interact. energy: -1.462
local terms energy: -284.388052
where:
bonds (distance) C4'-P energy: -89.900
bonds (distance) P-C4' energy: -81.476
flat angles C4'-P-C4' energy: -74.860
flat angles P-C4'-P energy: -34.235
tors. eta vs tors. theta energy: -3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1897.119900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.119900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.119900 (E_RNA)
where:
Base-Base interactions energy: -1350.122
where: short stacking energy: -560.091
Base-Backbone interact. energy: -3.761
local terms energy: -543.237428
where:
bonds (distance) C4'-P energy: -90.602
bonds (distance) P-C4' energy: -104.323
flat angles C4'-P-C4' energy: -118.504
flat angles P-C4'-P energy: -73.147
tors. eta vs tors. theta energy: -156.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1822.380182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.380182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.380182 (E_RNA)
where:
Base-Base interactions energy: -1293.806
where: short stacking energy: -529.002
Base-Backbone interact. energy: -1.768
local terms energy: -526.805858
where:
bonds (distance) C4'-P energy: -100.611
bonds (distance) P-C4' energy: -93.757
flat angles C4'-P-C4' energy: -110.501
flat angles P-C4'-P energy: -68.886
tors. eta vs tors. theta energy: -153.050
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: 4
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1775.078245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.078245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.078245 (E_RNA)
where:
Base-Base interactions energy: -1264.296
where: short stacking energy: -536.215
Base-Backbone interact. energy: -0.477
local terms energy: -510.305566
where:
bonds (distance) C4'-P energy: -85.133
bonds (distance) P-C4' energy: -88.351
flat angles C4'-P-C4' energy: -109.758
flat angles P-C4'-P energy: -77.651
tors. eta vs tors. theta energy: -149.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1602.353961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.353961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.353961 (E_RNA)
where:
Base-Base interactions energy: -1087.399
where: short stacking energy: -447.923
Base-Backbone interact. energy: -1.965
local terms energy: -512.989266
where:
bonds (distance) C4'-P energy: -102.002
bonds (distance) P-C4' energy: -92.031
flat angles C4'-P-C4' energy: -112.991
flat angles P-C4'-P energy: -77.401
tors. eta vs tors. theta energy: -128.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1563.763677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.763677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.763677 (E_RNA)
where:
Base-Base interactions energy: -1063.972
where: short stacking energy: -460.980
Base-Backbone interact. energy: -1.516
local terms energy: -498.275772
where:
bonds (distance) C4'-P energy: -94.283
bonds (distance) P-C4' energy: -96.580
flat angles C4'-P-C4' energy: -109.435
flat angles P-C4'-P energy: -71.900
tors. eta vs tors. theta energy: -126.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1486.276637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.276637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.276637 (E_RNA)
where:
Base-Base interactions energy: -1026.722
where: short stacking energy: -447.499
Base-Backbone interact. energy: 0.562
local terms energy: -460.116987
where:
bonds (distance) C4'-P energy: -82.436
bonds (distance) P-C4' energy: -93.877
flat angles C4'-P-C4' energy: -100.621
flat angles P-C4'-P energy: -72.311
tors. eta vs tors. theta energy: -110.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1295.487258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.487258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.487258 (E_RNA)
where:
Base-Base interactions energy: -908.380
where: short stacking energy: -366.257
Base-Backbone interact. energy: -3.773
local terms energy: -383.333367
where:
bonds (distance) C4'-P energy: -79.279
bonds (distance) P-C4' energy: -71.921
flat angles C4'-P-C4' energy: -85.641
flat angles P-C4'-P energy: -64.049
tors. eta vs tors. theta energy: -82.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1159.172905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.172905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.172905 (E_RNA)
where:
Base-Base interactions energy: -780.141
where: short stacking energy: -359.729
Base-Backbone interact. energy: -1.475
local terms energy: -377.556778
where:
bonds (distance) C4'-P energy: -81.391
bonds (distance) P-C4' energy: -81.035
flat angles C4'-P-C4' energy: -81.481
flat angles P-C4'-P energy: -51.068
tors. eta vs tors. theta energy: -82.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -847.924026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.924026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.924026 (E_RNA)
where:
Base-Base interactions energy: -511.606
where: short stacking energy: -234.483
Base-Backbone interact. energy: 2.425
local terms energy: -338.742598
where:
bonds (distance) C4'-P energy: -87.731
bonds (distance) P-C4' energy: -86.197
flat angles C4'-P-C4' energy: -85.169
flat angles P-C4'-P energy: -51.504
tors. eta vs tors. theta energy: -28.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -505.170741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.170741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.170741 (E_RNA)
where:
Base-Base interactions energy: -208.165
where: short stacking energy: -127.750
Base-Backbone interact. energy: 0.515
local terms energy: -297.520762
where:
bonds (distance) C4'-P energy: -85.743
bonds (distance) P-C4' energy: -88.528
flat angles C4'-P-C4' energy: -78.772
flat angles P-C4'-P energy: -40.023
tors. eta vs tors. theta energy: -4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1902.118065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.118065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.118065 (E_RNA)
where:
Base-Base interactions energy: -1345.062
where: short stacking energy: -549.499
Base-Backbone interact. energy: -5.855
local terms energy: -551.201118
where:
bonds (distance) C4'-P energy: -84.103
bonds (distance) P-C4' energy: -107.244
flat angles C4'-P-C4' energy: -123.715
flat angles P-C4'-P energy: -81.490
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: 4
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1810.866062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.866062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.866062 (E_RNA)
where:
Base-Base interactions energy: -1269.368
where: short stacking energy: -518.121
Base-Backbone interact. energy: 1.280
local terms energy: -542.778404
where:
bonds (distance) C4'-P energy: -106.729
bonds (distance) P-C4' energy: -102.124
flat angles C4'-P-C4' energy: -116.082
flat angles P-C4'-P energy: -77.744
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: 3, replica: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1765.957807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.957807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.957807 (E_RNA)
where:
Base-Base interactions energy: -1273.675
where: short stacking energy: -511.878
Base-Backbone interact. energy: -1.578
local terms energy: -490.704614
where:
bonds (distance) C4'-P energy: -85.360
bonds (distance) P-C4' energy: -91.307
flat angles C4'-P-C4' energy: -108.891
flat angles P-C4'-P energy: -67.778
tors. eta vs tors. theta energy: -137.368
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: 6
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1584.910698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.910698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.910698 (E_RNA)
where:
Base-Base interactions energy: -1074.475
where: short stacking energy: -477.510
Base-Backbone interact. energy: 0.362
local terms energy: -510.796931
where:
bonds (distance) C4'-P energy: -99.046
bonds (distance) P-C4' energy: -104.548
flat angles C4'-P-C4' energy: -108.572
flat angles P-C4'-P energy: -71.762
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: 5, replica: 5
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1540.809755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.809755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.809755 (E_RNA)
where:
Base-Base interactions energy: -1054.517
where: short stacking energy: -453.507
Base-Backbone interact. energy: -2.358
local terms energy: -483.935290
where:
bonds (distance) C4'-P energy: -83.891
bonds (distance) P-C4' energy: -100.299
flat angles C4'-P-C4' energy: -107.493
flat angles P-C4'-P energy: -78.268
tors. eta vs tors. theta energy: -113.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1446.182553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.182553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.182553 (E_RNA)
where:
Base-Base interactions energy: -994.919
where: short stacking energy: -419.650
Base-Backbone interact. energy: 1.408
local terms energy: -452.671307
where:
bonds (distance) C4'-P energy: -86.266
bonds (distance) P-C4' energy: -88.866
flat angles C4'-P-C4' energy: -98.266
flat angles P-C4'-P energy: -68.815
tors. eta vs tors. theta energy: -110.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1261.969812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.969812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.969812 (E_RNA)
where:
Base-Base interactions energy: -859.189
where: short stacking energy: -348.763
Base-Backbone interact. energy: 3.066
local terms energy: -405.846427
where:
bonds (distance) C4'-P energy: -85.426
bonds (distance) P-C4' energy: -101.559
flat angles C4'-P-C4' energy: -89.859
flat angles P-C4'-P energy: -55.157
tors. eta vs tors. theta energy: -73.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1156.252157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.252157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.252157 (E_RNA)
where:
Base-Base interactions energy: -750.496
where: short stacking energy: -328.633
Base-Backbone interact. energy: 0.447
local terms energy: -406.202410
where:
bonds (distance) C4'-P energy: -90.821
bonds (distance) P-C4' energy: -81.356
flat angles C4'-P-C4' energy: -85.513
flat angles P-C4'-P energy: -70.925
tors. eta vs tors. theta energy: -77.588
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: 9
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -815.102585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.102585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.102585 (E_RNA)
where:
Base-Base interactions energy: -482.479
where: short stacking energy: -232.404
Base-Backbone interact. energy: -1.513
local terms energy: -331.110605
where:
bonds (distance) C4'-P energy: -72.199
bonds (distance) P-C4' energy: -82.545
flat angles C4'-P-C4' energy: -93.843
flat angles P-C4'-P energy: -61.351
tors. eta vs tors. theta energy: -21.173
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: 10, replica: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -544.999330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.999330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.999330 (E_RNA)
where:
Base-Base interactions energy: -253.610
where: short stacking energy: -152.118
Base-Backbone interact. energy: -3.532
local terms energy: -287.857283
where:
bonds (distance) C4'-P energy: -88.813
bonds (distance) P-C4' energy: -89.821
flat angles C4'-P-C4' energy: -73.847
flat angles P-C4'-P energy: -40.054
tors. eta vs tors. theta energy: 4.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1893.170070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.170070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.170070 (E_RNA)
where:
Base-Base interactions energy: -1323.588
where: short stacking energy: -533.750
Base-Backbone interact. energy: 2.711
local terms energy: -572.292892
where:
bonds (distance) C4'-P energy: -108.636
bonds (distance) P-C4' energy: -105.252
flat angles C4'-P-C4' energy: -120.455
flat angles P-C4'-P energy: -85.778
tors. eta vs tors. theta energy: -152.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1811.778434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.778434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.778434 (E_RNA)
where:
Base-Base interactions energy: -1252.759
where: short stacking energy: -508.843
Base-Backbone interact. energy: -0.596
local terms energy: -558.422904
where:
bonds (distance) C4'-P energy: -106.898
bonds (distance) P-C4' energy: -100.652
flat angles C4'-P-C4' energy: -116.872
flat angles P-C4'-P energy: -83.344
tors. eta vs tors. theta energy: -150.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1763.466801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.466801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.466801 (E_RNA)
where:
Base-Base interactions energy: -1242.191
where: short stacking energy: -514.942
Base-Backbone interact. energy: -3.400
local terms energy: -517.876127
where:
bonds (distance) C4'-P energy: -98.244
bonds (distance) P-C4' energy: -99.677
flat angles C4'-P-C4' energy: -108.982
flat angles P-C4'-P energy: -67.451
tors. eta vs tors. theta energy: -143.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1589.653265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.653265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.653265 (E_RNA)
where:
Base-Base interactions energy: -1101.731
where: short stacking energy: -480.088
Base-Backbone interact. energy: -2.812
local terms energy: -485.110492
where:
bonds (distance) C4'-P energy: -90.877
bonds (distance) P-C4' energy: -100.617
flat angles C4'-P-C4' energy: -106.874
flat angles P-C4'-P energy: -56.796
tors. eta vs tors. theta energy: -129.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1533.246048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.246048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.246048 (E_RNA)
where:
Base-Base interactions energy: -1043.472
where: short stacking energy: -427.275
Base-Backbone interact. energy: -1.136
local terms energy: -488.637330
where:
bonds (distance) C4'-P energy: -105.737
bonds (distance) P-C4' energy: -89.362
flat angles C4'-P-C4' energy: -115.483
flat angles P-C4'-P energy: -70.917
tors. eta vs tors. theta energy: -107.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1439.082560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.082560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.082560 (E_RNA)
where:
Base-Base interactions energy: -973.159
where: short stacking energy: -414.578
Base-Backbone interact. energy: -2.387
local terms energy: -463.536134
where:
bonds (distance) C4'-P energy: -80.159
bonds (distance) P-C4' energy: -92.253
flat angles C4'-P-C4' energy: -110.657
flat angles P-C4'-P energy: -74.546
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: 7, replica: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1325.689573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.689573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.689573 (E_RNA)
where:
Base-Base interactions energy: -908.780
where: short stacking energy: -377.983
Base-Backbone interact. energy: -0.788
local terms energy: -416.121610
where:
bonds (distance) C4'-P energy: -94.393
bonds (distance) P-C4' energy: -87.105
flat angles C4'-P-C4' energy: -81.777
flat angles P-C4'-P energy: -55.624
tors. eta vs tors. theta energy: -97.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1190.879365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.879365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.879365 (E_RNA)
where:
Base-Base interactions energy: -797.400
where: short stacking energy: -337.912
Base-Backbone interact. energy: -1.310
local terms energy: -392.169546
where:
bonds (distance) C4'-P energy: -97.994
bonds (distance) P-C4' energy: -81.660
flat angles C4'-P-C4' energy: -80.786
flat angles P-C4'-P energy: -54.031
tors. eta vs tors. theta energy: -77.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -822.180169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.180169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.180169 (E_RNA)
where:
Base-Base interactions energy: -496.572
where: short stacking energy: -248.115
Base-Backbone interact. energy: -4.585
local terms energy: -321.022326
where:
bonds (distance) C4'-P energy: -82.313
bonds (distance) P-C4' energy: -79.890
flat angles C4'-P-C4' energy: -85.108
flat angles P-C4'-P energy: -45.723
tors. eta vs tors. theta energy: -27.988
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: 116
Temperature: 1.350000
Total energy: -588.323592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.323592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.323592 (E_RNA)
where:
Base-Base interactions energy: -294.888
where: short stacking energy: -191.531
Base-Backbone interact. energy: -1.029
local terms energy: -292.405994
where:
bonds (distance) C4'-P energy: -78.712
bonds (distance) P-C4' energy: -70.528
flat angles C4'-P-C4' energy: -80.887
flat angles P-C4'-P energy: -54.537
tors. eta vs tors. theta energy: -7.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1907.436727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.436727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.436727 (E_RNA)
where:
Base-Base interactions energy: -1347.299
where: short stacking energy: -531.650
Base-Backbone interact. energy: -1.757
local terms energy: -558.380303
where:
bonds (distance) C4'-P energy: -89.151
bonds (distance) P-C4' energy: -117.871
flat angles C4'-P-C4' energy: -121.075
flat angles P-C4'-P energy: -87.959
tors. eta vs tors. theta energy: -142.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1826.779270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.779270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.779270 (E_RNA)
where:
Base-Base interactions energy: -1273.449
where: short stacking energy: -541.292
Base-Backbone interact. energy: -3.974
local terms energy: -549.356220
where:
bonds (distance) C4'-P energy: -97.551
bonds (distance) P-C4' energy: -93.782
flat angles C4'-P-C4' energy: -122.603
flat angles P-C4'-P energy: -79.921
tors. eta vs tors. theta energy: -155.500
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: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1745.206738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.206738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.206738 (E_RNA)
where:
Base-Base interactions energy: -1252.212
where: short stacking energy: -492.482
Base-Backbone interact. energy: 3.319
local terms energy: -496.313202
where:
bonds (distance) C4'-P energy: -77.755
bonds (distance) P-C4' energy: -96.763
flat angles C4'-P-C4' energy: -117.435
flat angles P-C4'-P energy: -76.458
tors. eta vs tors. theta energy: -127.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1587.694126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.694126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.694126 (E_RNA)
where:
Base-Base interactions energy: -1090.060
where: short stacking energy: -474.993
Base-Backbone interact. energy: -4.300
local terms energy: -493.334214
where:
bonds (distance) C4'-P energy: -93.525
bonds (distance) P-C4' energy: -99.584
flat angles C4'-P-C4' energy: -110.676
flat angles P-C4'-P energy: -69.097
tors. eta vs tors. theta energy: -120.453
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: 5, replica: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1522.415771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.415771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.415771 (E_RNA)
where:
Base-Base interactions energy: -1043.682
where: short stacking energy: -436.754
Base-Backbone interact. energy: -2.762
local terms energy: -475.971668
where:
bonds (distance) C4'-P energy: -96.247
bonds (distance) P-C4' energy: -87.728
flat angles C4'-P-C4' energy: -103.806
flat angles P-C4'-P energy: -77.263
tors. eta vs tors. theta energy: -110.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1463.197531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.197531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.197531 (E_RNA)
where:
Base-Base interactions energy: -987.424
where: short stacking energy: -414.947
Base-Backbone interact. energy: -2.412
local terms energy: -473.361515
where:
bonds (distance) C4'-P energy: -88.659
bonds (distance) P-C4' energy: -101.382
flat angles C4'-P-C4' energy: -98.861
flat angles P-C4'-P energy: -74.654
tors. eta vs tors. theta energy: -109.805
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: 117
Temperature: 1.200000
Total energy: -1248.837225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.837225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.837225 (E_RNA)
where:
Base-Base interactions energy: -857.625
where: short stacking energy: -365.917
Base-Backbone interact. energy: -1.598
local terms energy: -389.614754
where:
bonds (distance) C4'-P energy: -86.528
bonds (distance) P-C4' energy: -89.462
flat angles C4'-P-C4' energy: -78.256
flat angles P-C4'-P energy: -58.837
tors. eta vs tors. theta energy: -76.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1164.497552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.497552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.497552 (E_RNA)
where:
Base-Base interactions energy: -775.873
where: short stacking energy: -328.968
Base-Backbone interact. energy: -1.974
local terms energy: -386.651196
where:
bonds (distance) C4'-P energy: -84.931
bonds (distance) P-C4' energy: -84.162
flat angles C4'-P-C4' energy: -85.368
flat angles P-C4'-P energy: -66.096
tors. eta vs tors. theta energy: -66.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -905.005200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.005200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.005200 (E_RNA)
where:
Base-Base interactions energy: -554.942
where: short stacking energy: -283.117
Base-Backbone interact. energy: -3.497
local terms energy: -346.567002
where:
bonds (distance) C4'-P energy: -92.789
bonds (distance) P-C4' energy: -85.257
flat angles C4'-P-C4' energy: -76.016
flat angles P-C4'-P energy: -48.338
tors. eta vs tors. theta energy: -44.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -608.627465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.627465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.627465 (E_RNA)
where:
Base-Base interactions energy: -303.117
where: short stacking energy: -192.068
Base-Backbone interact. energy: -0.081
local terms energy: -305.429451
where:
bonds (distance) C4'-P energy: -85.310
bonds (distance) P-C4' energy: -79.039
flat angles C4'-P-C4' energy: -78.203
flat angles P-C4'-P energy: -49.704
tors. eta vs tors. theta energy: -13.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1887.695714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.695714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.695714 (E_RNA)
where:
Base-Base interactions energy: -1341.232
where: short stacking energy: -546.087
Base-Backbone interact. energy: -1.634
local terms energy: -544.829759
where:
bonds (distance) C4'-P energy: -88.387
bonds (distance) P-C4' energy: -93.290
flat angles C4'-P-C4' energy: -124.610
flat angles P-C4'-P energy: -85.472
tors. eta vs tors. theta energy: -153.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1886.359371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.359371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.359371 (E_RNA)
where:
Base-Base interactions energy: -1368.247
where: short stacking energy: -541.770
Base-Backbone interact. energy: -0.004
local terms energy: -518.108153
where:
bonds (distance) C4'-P energy: -93.874
bonds (distance) P-C4' energy: -91.723
flat angles C4'-P-C4' energy: -114.643
flat angles P-C4'-P energy: -75.356
tors. eta vs tors. theta energy: -142.512
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: 118
Temperature: 1.000000
Total energy: -1739.859020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.859020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.859020 (E_RNA)
where:
Base-Base interactions energy: -1227.461
where: short stacking energy: -497.083
Base-Backbone interact. energy: -0.913
local terms energy: -511.484473
where:
bonds (distance) C4'-P energy: -85.894
bonds (distance) P-C4' energy: -88.733
flat angles C4'-P-C4' energy: -115.082
flat angles P-C4'-P energy: -81.432
tors. eta vs tors. theta energy: -140.344
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: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1622.941959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.941959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.941959 (E_RNA)
where:
Base-Base interactions energy: -1087.484
where: short stacking energy: -478.660
Base-Backbone interact. energy: -1.827
local terms energy: -533.631504
where:
bonds (distance) C4'-P energy: -94.179
bonds (distance) P-C4' energy: -96.764
flat angles C4'-P-C4' energy: -122.554
flat angles P-C4'-P energy: -81.949
tors. eta vs tors. theta energy: -138.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1541.209802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.209802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.209802 (E_RNA)
where:
Base-Base interactions energy: -1067.497
where: short stacking energy: -477.667
Base-Backbone interact. energy: -4.427
local terms energy: -469.285374
where:
bonds (distance) C4'-P energy: -89.799
bonds (distance) P-C4' energy: -97.705
flat angles C4'-P-C4' energy: -93.858
flat angles P-C4'-P energy: -60.117
tors. eta vs tors. theta energy: -127.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1470.766659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.766659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.766659 (E_RNA)
where:
Base-Base interactions energy: -1027.575
where: short stacking energy: -430.424
Base-Backbone interact. energy: -0.438
local terms energy: -442.753638
where:
bonds (distance) C4'-P energy: -75.651
bonds (distance) P-C4' energy: -93.184
flat angles C4'-P-C4' energy: -108.687
flat angles P-C4'-P energy: -56.265
tors. eta vs tors. theta energy: -108.966
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: 8
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1257.620495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.620495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.620495 (E_RNA)
where:
Base-Base interactions energy: -832.344
where: short stacking energy: -372.373
Base-Backbone interact. energy: -0.997
local terms energy: -424.279801
where:
bonds (distance) C4'-P energy: -97.035
bonds (distance) P-C4' energy: -84.405
flat angles C4'-P-C4' energy: -97.937
flat angles P-C4'-P energy: -68.510
tors. eta vs tors. theta energy: -76.393
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: 7
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1146.826821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.826821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.826821 (E_RNA)
where:
Base-Base interactions energy: -752.069
where: short stacking energy: -317.028
Base-Backbone interact. energy: 2.516
local terms energy: -397.274014
where:
bonds (distance) C4'-P energy: -85.015
bonds (distance) P-C4' energy: -106.350
flat angles C4'-P-C4' energy: -84.498
flat angles P-C4'-P energy: -65.909
tors. eta vs tors. theta energy: -55.502
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: 118
Temperature: 1.300000
Total energy: -760.068653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.068653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.068653 (E_RNA)
where:
Base-Base interactions energy: -438.725
where: short stacking energy: -188.004
Base-Backbone interact. energy: -0.647
local terms energy: -320.696378
where:
bonds (distance) C4'-P energy: -79.190
bonds (distance) P-C4' energy: -92.825
flat angles C4'-P-C4' energy: -78.390
flat angles P-C4'-P energy: -58.546
tors. eta vs tors. theta energy: -11.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -541.479743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.479743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.479743 (E_RNA)
where:
Base-Base interactions energy: -284.936
where: short stacking energy: -164.508
Base-Backbone interact. energy: -0.212
local terms energy: -256.331289
where:
bonds (distance) C4'-P energy: -74.011
bonds (distance) P-C4' energy: -79.016
flat angles C4'-P-C4' energy: -57.659
flat angles P-C4'-P energy: -44.435
tors. eta vs tors. theta energy: -1.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1877.179507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.179507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.179507 (E_RNA)
where:
Base-Base interactions energy: -1311.568
where: short stacking energy: -547.108
Base-Backbone interact. energy: -1.670
local terms energy: -563.941302
where:
bonds (distance) C4'-P energy: -105.288
bonds (distance) P-C4' energy: -103.391
flat angles C4'-P-C4' energy: -117.473
flat angles P-C4'-P energy: -86.093
tors. eta vs tors. theta energy: -151.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1870.352750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.352750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.352750 (E_RNA)
where:
Base-Base interactions energy: -1346.241
where: short stacking energy: -506.652
Base-Backbone interact. energy: 0.245
local terms energy: -524.356643
where:
bonds (distance) C4'-P energy: -106.919
bonds (distance) P-C4' energy: -91.059
flat angles C4'-P-C4' energy: -118.759
flat angles P-C4'-P energy: -72.403
tors. eta vs tors. theta energy: -135.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1806.081604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.081604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.081604 (E_RNA)
where:
Base-Base interactions energy: -1274.620
where: short stacking energy: -529.578
Base-Backbone interact. energy: -0.983
local terms energy: -530.477723
where:
bonds (distance) C4'-P energy: -90.045
bonds (distance) P-C4' energy: -105.826
flat angles C4'-P-C4' energy: -114.030
flat angles P-C4'-P energy: -73.563
tors. eta vs tors. theta energy: -147.013
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: 5
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1603.804633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.804633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.804633 (E_RNA)
where:
Base-Base interactions energy: -1111.285
where: short stacking energy: -467.869
Base-Backbone interact. energy: -3.313
local terms energy: -489.206136
where:
bonds (distance) C4'-P energy: -68.971
bonds (distance) P-C4' energy: -93.794
flat angles C4'-P-C4' energy: -122.842
flat angles P-C4'-P energy: -70.808
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: 5, replica: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1531.604607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.604607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.604607 (E_RNA)
where:
Base-Base interactions energy: -1047.216
where: short stacking energy: -445.209
Base-Backbone interact. energy: -2.188
local terms energy: -482.200568
where:
bonds (distance) C4'-P energy: -91.059
bonds (distance) P-C4' energy: -88.512
flat angles C4'-P-C4' energy: -106.582
flat angles P-C4'-P energy: -76.491
tors. eta vs tors. theta energy: -119.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1472.647041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.647041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.647041 (E_RNA)
where:
Base-Base interactions energy: -1035.323
where: short stacking energy: -404.438
Base-Backbone interact. energy: 1.801
local terms energy: -439.124873
where:
bonds (distance) C4'-P energy: -88.014
bonds (distance) P-C4' energy: -94.289
flat angles C4'-P-C4' energy: -86.731
flat angles P-C4'-P energy: -67.561
tors. eta vs tors. theta energy: -102.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1314.619980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.619980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.619980 (E_RNA)
where:
Base-Base interactions energy: -894.638
where: short stacking energy: -354.895
Base-Backbone interact. energy: 6.456
local terms energy: -426.437817
where:
bonds (distance) C4'-P energy: -95.592
bonds (distance) P-C4' energy: -85.755
flat angles C4'-P-C4' energy: -99.157
flat angles P-C4'-P energy: -59.595
tors. eta vs tors. theta energy: -86.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1166.739685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.739685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.739685 (E_RNA)
where:
Base-Base interactions energy: -782.521
where: short stacking energy: -333.747
Base-Backbone interact. energy: 2.790
local terms energy: -387.008867
where:
bonds (distance) C4'-P energy: -73.794
bonds (distance) P-C4' energy: -91.782
flat angles C4'-P-C4' energy: -88.764
flat angles P-C4'-P energy: -64.280
tors. eta vs tors. theta energy: -68.389
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: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -728.672844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.672844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.672844 (E_RNA)
where:
Base-Base interactions energy: -422.888
where: short stacking energy: -214.619
Base-Backbone interact. energy: -1.545
local terms energy: -304.239641
where:
bonds (distance) C4'-P energy: -62.041
bonds (distance) P-C4' energy: -95.303
flat angles C4'-P-C4' energy: -84.821
flat angles P-C4'-P energy: -49.928
tors. eta vs tors. theta energy: -12.148
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: 119
Temperature: 1.350000
Total energy: -637.255316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.255316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.255316 (E_RNA)
where:
Base-Base interactions energy: -324.856
where: short stacking energy: -171.414
Base-Backbone interact. energy: -3.128
local terms energy: -309.271012
where:
bonds (distance) C4'-P energy: -88.747
bonds (distance) P-C4' energy: -87.800
flat angles C4'-P-C4' energy: -66.546
flat angles P-C4'-P energy: -53.156
tors. eta vs tors. theta energy: -13.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1923.214367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.214367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.214367 (E_RNA)
where:
Base-Base interactions energy: -1368.799
where: short stacking energy: -539.952
Base-Backbone interact. energy: -3.748
local terms energy: -550.666916
where:
bonds (distance) C4'-P energy: -97.215
bonds (distance) P-C4' energy: -105.842
flat angles C4'-P-C4' energy: -121.339
flat angles P-C4'-P energy: -77.882
tors. eta vs tors. theta energy: -148.389
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: 4
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1862.222158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.222158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.222158 (E_RNA)
where:
Base-Base interactions energy: -1305.278
where: short stacking energy: -535.477
Base-Backbone interact. energy: -5.288
local terms energy: -551.656296
where:
bonds (distance) C4'-P energy: -108.498
bonds (distance) P-C4' energy: -103.081
flat angles C4'-P-C4' energy: -119.387
flat angles P-C4'-P energy: -70.334
tors. eta vs tors. theta energy: -150.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1776.371812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.371812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.371812 (E_RNA)
where:
Base-Base interactions energy: -1242.079
where: short stacking energy: -479.267
Base-Backbone interact. energy: -3.702
local terms energy: -530.590941
where:
bonds (distance) C4'-P energy: -92.053
bonds (distance) P-C4' energy: -106.937
flat angles C4'-P-C4' energy: -122.785
flat angles P-C4'-P energy: -82.088
tors. eta vs tors. theta energy: -126.727
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: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1603.351724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.351724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.351724 (E_RNA)
where:
Base-Base interactions energy: -1073.553
where: short stacking energy: -456.955
Base-Backbone interact. energy: -1.054
local terms energy: -528.744224
where:
bonds (distance) C4'-P energy: -102.086
bonds (distance) P-C4' energy: -110.077
flat angles C4'-P-C4' energy: -117.710
flat angles P-C4'-P energy: -83.956
tors. eta vs tors. theta energy: -114.914
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: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1543.325416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.325416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.325416 (E_RNA)
where:
Base-Base interactions energy: -1055.152
where: short stacking energy: -459.541
Base-Backbone interact. energy: 4.300
local terms energy: -492.473899
where:
bonds (distance) C4'-P energy: -96.003
bonds (distance) P-C4' energy: -95.257
flat angles C4'-P-C4' energy: -113.671
flat angles P-C4'-P energy: -68.006
tors. eta vs tors. theta energy: -119.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1434.404992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.404992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.404992 (E_RNA)
where:
Base-Base interactions energy: -980.865
where: short stacking energy: -424.664
Base-Backbone interact. energy: 6.807
local terms energy: -460.346302
where:
bonds (distance) C4'-P energy: -92.081
bonds (distance) P-C4' energy: -92.837
flat angles C4'-P-C4' energy: -106.076
flat angles P-C4'-P energy: -61.272
tors. eta vs tors. theta energy: -108.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1301.575055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.575055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.575055 (E_RNA)
where:
Base-Base interactions energy: -892.202
where: short stacking energy: -341.407
Base-Backbone interact. energy: 1.945
local terms energy: -411.317545
where:
bonds (distance) C4'-P energy: -83.113
bonds (distance) P-C4' energy: -86.478
flat angles C4'-P-C4' energy: -94.479
flat angles P-C4'-P energy: -70.456
tors. eta vs tors. theta energy: -76.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1176.032821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.032821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.032821 (E_RNA)
where:
Base-Base interactions energy: -783.794
where: short stacking energy: -352.797
Base-Backbone interact. energy: -2.028
local terms energy: -390.210755
where:
bonds (distance) C4'-P energy: -95.936
bonds (distance) P-C4' energy: -83.855
flat angles C4'-P-C4' energy: -92.745
flat angles P-C4'-P energy: -37.497
tors. eta vs tors. theta energy: -80.178
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: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -776.438311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.438311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.438311 (E_RNA)
where:
Base-Base interactions energy: -491.189
where: short stacking energy: -222.085
Base-Backbone interact. energy: 6.871
local terms energy: -292.120047
where:
bonds (distance) C4'-P energy: -75.434
bonds (distance) P-C4' energy: -78.253
flat angles C4'-P-C4' energy: -81.767
flat angles P-C4'-P energy: -50.075
tors. eta vs tors. theta energy: -6.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -695.253589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.253589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.253589 (E_RNA)
where:
Base-Base interactions energy: -391.700
where: short stacking energy: -220.308
Base-Backbone interact. energy: -2.091
local terms energy: -301.462398
where:
bonds (distance) C4'-P energy: -69.503
bonds (distance) P-C4' energy: -95.581
flat angles C4'-P-C4' energy: -74.206
flat angles P-C4'-P energy: -46.017
tors. eta vs tors. theta energy: -16.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1905.986155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.986155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.986155 (E_RNA)
where:
Base-Base interactions energy: -1363.267
where: short stacking energy: -538.438
Base-Backbone interact. energy: -3.554
local terms energy: -539.165236
where:
bonds (distance) C4'-P energy: -95.146
bonds (distance) P-C4' energy: -101.933
flat angles C4'-P-C4' energy: -118.048
flat angles P-C4'-P energy: -74.776
tors. eta vs tors. theta energy: -149.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1809.664069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.664069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.664069 (E_RNA)
where:
Base-Base interactions energy: -1285.473
where: short stacking energy: -520.264
Base-Backbone interact. energy: -1.765
local terms energy: -522.425835
where:
bonds (distance) C4'-P energy: -89.503
bonds (distance) P-C4' energy: -99.766
flat angles C4'-P-C4' energy: -106.882
flat angles P-C4'-P energy: -82.281
tors. eta vs tors. theta energy: -143.994
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: 3, replica: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1777.879524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.879524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.879524 (E_RNA)
where:
Base-Base interactions energy: -1252.664
where: short stacking energy: -508.734
Base-Backbone interact. energy: -2.342
local terms energy: -522.873700
where:
bonds (distance) C4'-P energy: -103.227
bonds (distance) P-C4' energy: -98.714
flat angles C4'-P-C4' energy: -122.754
flat angles P-C4'-P energy: -64.906
tors. eta vs tors. theta energy: -133.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1571.227191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.227191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.227191 (E_RNA)
where:
Base-Base interactions energy: -1054.229
where: short stacking energy: -447.455
Base-Backbone interact. energy: -1.749
local terms energy: -515.249283
where:
bonds (distance) C4'-P energy: -108.204
bonds (distance) P-C4' energy: -107.095
flat angles C4'-P-C4' energy: -105.570
flat angles P-C4'-P energy: -68.912
tors. eta vs tors. theta energy: -125.468
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: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1580.349707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.349707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.349707 (E_RNA)
where:
Base-Base interactions energy: -1071.855
where: short stacking energy: -471.235
Base-Backbone interact. energy: -1.796
local terms energy: -506.698651
where:
bonds (distance) C4'-P energy: -88.783
bonds (distance) P-C4' energy: -103.217
flat angles C4'-P-C4' energy: -104.452
flat angles P-C4'-P energy: -77.777
tors. eta vs tors. theta energy: -132.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1487.433401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.433401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.433401 (E_RNA)
where:
Base-Base interactions energy: -1030.620
where: short stacking energy: -446.425
Base-Backbone interact. energy: -4.760
local terms energy: -452.053372
where:
bonds (distance) C4'-P energy: -75.494
bonds (distance) P-C4' energy: -101.715
flat angles C4'-P-C4' energy: -102.640
flat angles P-C4'-P energy: -63.725
tors. eta vs tors. theta energy: -108.479
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: 8
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1289.325678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.325678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.325678 (E_RNA)
where:
Base-Base interactions energy: -894.843
where: short stacking energy: -381.950
Base-Backbone interact. energy: -3.228
local terms energy: -391.254597
where:
bonds (distance) C4'-P energy: -78.345
bonds (distance) P-C4' energy: -88.561
flat angles C4'-P-C4' energy: -102.832
flat angles P-C4'-P energy: -53.238
tors. eta vs tors. theta energy: -68.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1160.498820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.498820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.498820 (E_RNA)
where:
Base-Base interactions energy: -770.148
where: short stacking energy: -322.783
Base-Backbone interact. energy: -2.608
local terms energy: -387.743471
where:
bonds (distance) C4'-P energy: -91.154
bonds (distance) P-C4' energy: -101.333
flat angles C4'-P-C4' energy: -83.826
flat angles P-C4'-P energy: -57.713
tors. eta vs tors. theta energy: -53.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -813.403166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.403166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.403166 (E_RNA)
where:
Base-Base interactions energy: -496.497
where: short stacking energy: -250.682
Base-Backbone interact. energy: 2.435
local terms energy: -319.341167
where:
bonds (distance) C4'-P energy: -71.456
bonds (distance) P-C4' energy: -83.869
flat angles C4'-P-C4' energy: -93.038
flat angles P-C4'-P energy: -54.777
tors. eta vs tors. theta energy: -16.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -633.508927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.508927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.508927 (E_RNA)
where:
Base-Base interactions energy: -384.334
where: short stacking energy: -201.844
Base-Backbone interact. energy: 0.253
local terms energy: -249.427647
where:
bonds (distance) C4'-P energy: -69.129
bonds (distance) P-C4' energy: -88.436
flat angles C4'-P-C4' energy: -48.841
flat angles P-C4'-P energy: -33.713
tors. eta vs tors. theta energy: -9.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1927.044803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.044803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.044803 (E_RNA)
where:
Base-Base interactions energy: -1377.246
where: short stacking energy: -526.588
Base-Backbone interact. energy: -2.161
local terms energy: -547.637695
where:
bonds (distance) C4'-P energy: -96.349
bonds (distance) P-C4' energy: -100.611
flat angles C4'-P-C4' energy: -122.664
flat angles P-C4'-P energy: -78.786
tors. eta vs tors. theta energy: -149.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1809.069925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.069925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.069925 (E_RNA)
where:
Base-Base interactions energy: -1278.033
where: short stacking energy: -551.871
Base-Backbone interact. energy: -2.584
local terms energy: -528.453062
where:
bonds (distance) C4'-P energy: -93.163
bonds (distance) P-C4' energy: -98.333
flat angles C4'-P-C4' energy: -113.276
flat angles P-C4'-P energy: -75.484
tors. eta vs tors. theta energy: -148.197
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: 122
Temperature: 1.000000
Total energy: -1784.453074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.453074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.453074 (E_RNA)
where:
Base-Base interactions energy: -1257.289
where: short stacking energy: -526.411
Base-Backbone interact. energy: 2.752
local terms energy: -529.916290
where:
bonds (distance) C4'-P energy: -87.729
bonds (distance) P-C4' energy: -107.784
flat angles C4'-P-C4' energy: -119.643
flat angles P-C4'-P energy: -78.358
tors. eta vs tors. theta energy: -136.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1568.652829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.652829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.652829 (E_RNA)
where:
Base-Base interactions energy: -1071.708
where: short stacking energy: -469.634
Base-Backbone interact. energy: -3.009
local terms energy: -493.935555
where:
bonds (distance) C4'-P energy: -97.617
bonds (distance) P-C4' energy: -102.903
flat angles C4'-P-C4' energy: -102.967
flat angles P-C4'-P energy: -73.253
tors. eta vs tors. theta energy: -117.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1532.193020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.193020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.193020 (E_RNA)
where:
Base-Base interactions energy: -1060.566
where: short stacking energy: -446.747
Base-Backbone interact. energy: 1.404
local terms energy: -473.031251
where:
bonds (distance) C4'-P energy: -79.995
bonds (distance) P-C4' energy: -100.567
flat angles C4'-P-C4' energy: -108.692
flat angles P-C4'-P energy: -64.656
tors. eta vs tors. theta energy: -119.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1486.075927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.075927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.075927 (E_RNA)
where:
Base-Base interactions energy: -1012.082
where: short stacking energy: -428.823
Base-Backbone interact. energy: -0.760
local terms energy: -473.233798
where:
bonds (distance) C4'-P energy: -95.508
bonds (distance) P-C4' energy: -101.529
flat angles C4'-P-C4' energy: -91.950
flat angles P-C4'-P energy: -70.134
tors. eta vs tors. theta energy: -114.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1266.031683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.031683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.031683 (E_RNA)
where:
Base-Base interactions energy: -858.562
where: short stacking energy: -365.947
Base-Backbone interact. energy: 3.145
local terms energy: -410.614899
where:
bonds (distance) C4'-P energy: -79.050
bonds (distance) P-C4' energy: -86.554
flat angles C4'-P-C4' energy: -102.591
flat angles P-C4'-P energy: -66.608
tors. eta vs tors. theta energy: -75.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1167.788453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.788453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.788453 (E_RNA)
where:
Base-Base interactions energy: -805.136
where: short stacking energy: -340.876
Base-Backbone interact. energy: -1.864
local terms energy: -360.788433
where:
bonds (distance) C4'-P energy: -67.974
bonds (distance) P-C4' energy: -78.436
flat angles C4'-P-C4' energy: -89.489
flat angles P-C4'-P energy: -60.311
tors. eta vs tors. theta energy: -64.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -814.300250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.300250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.300250 (E_RNA)
where:
Base-Base interactions energy: -474.508
where: short stacking energy: -212.337
Base-Backbone interact. energy: -0.725
local terms energy: -339.067180
where:
bonds (distance) C4'-P energy: -93.029
bonds (distance) P-C4' energy: -95.555
flat angles C4'-P-C4' energy: -77.174
flat angles P-C4'-P energy: -49.824
tors. eta vs tors. theta energy: -23.485
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: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -594.726791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.726791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.726791 (E_RNA)
where:
Base-Base interactions energy: -312.845
where: short stacking energy: -178.941
Base-Backbone interact. energy: 0.475
local terms energy: -282.357341
where:
bonds (distance) C4'-P energy: -79.113
bonds (distance) P-C4' energy: -99.646
flat angles C4'-P-C4' energy: -50.428
flat angles P-C4'-P energy: -52.315
tors. eta vs tors. theta energy: -0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1924.078176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.078176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.078176 (E_RNA)
where:
Base-Base interactions energy: -1358.433
where: short stacking energy: -540.737
Base-Backbone interact. energy: -2.316
local terms energy: -563.329174
where:
bonds (distance) C4'-P energy: -105.637
bonds (distance) P-C4' energy: -100.764
flat angles C4'-P-C4' energy: -117.542
flat angles P-C4'-P energy: -88.672
tors. eta vs tors. theta energy: -150.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1845.644238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.644238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.644238 (E_RNA)
where:
Base-Base interactions energy: -1300.550
where: short stacking energy: -538.313
Base-Backbone interact. energy: 0.044
local terms energy: -545.138314
where:
bonds (distance) C4'-P energy: -93.769
bonds (distance) P-C4' energy: -110.195
flat angles C4'-P-C4' energy: -116.925
flat angles P-C4'-P energy: -76.737
tors. eta vs tors. theta energy: -147.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1775.023832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.023832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.023832 (E_RNA)
where:
Base-Base interactions energy: -1226.675
where: short stacking energy: -500.427
Base-Backbone interact. energy: -1.248
local terms energy: -547.101062
where:
bonds (distance) C4'-P energy: -96.571
bonds (distance) P-C4' energy: -104.801
flat angles C4'-P-C4' energy: -116.999
flat angles P-C4'-P energy: -76.519
tors. eta vs tors. theta energy: -152.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1573.109126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.109126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.109126 (E_RNA)
where:
Base-Base interactions energy: -1085.122
where: short stacking energy: -484.828
Base-Backbone interact. energy: -1.065
local terms energy: -486.922723
where:
bonds (distance) C4'-P energy: -80.925
bonds (distance) P-C4' energy: -91.852
flat angles C4'-P-C4' energy: -122.042
flat angles P-C4'-P energy: -70.260
tors. eta vs tors. theta energy: -121.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1520.284639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.284639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.284639 (E_RNA)
where:
Base-Base interactions energy: -1039.269
where: short stacking energy: -458.382
Base-Backbone interact. energy: -2.420
local terms energy: -478.595621
where:
bonds (distance) C4'-P energy: -88.204
bonds (distance) P-C4' energy: -98.233
flat angles C4'-P-C4' energy: -101.705
flat angles P-C4'-P energy: -67.969
tors. eta vs tors. theta energy: -122.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1458.054681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.054681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.054681 (E_RNA)
where:
Base-Base interactions energy: -983.932
where: short stacking energy: -412.517
Base-Backbone interact. energy: -1.696
local terms energy: -472.426563
where:
bonds (distance) C4'-P energy: -96.628
bonds (distance) P-C4' energy: -89.175
flat angles C4'-P-C4' energy: -108.722
flat angles P-C4'-P energy: -66.888
tors. eta vs tors. theta energy: -111.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1282.169431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.169431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.169431 (E_RNA)
where:
Base-Base interactions energy: -870.358
where: short stacking energy: -392.678
Base-Backbone interact. energy: -3.178
local terms energy: -408.633051
where:
bonds (distance) C4'-P energy: -60.611
bonds (distance) P-C4' energy: -98.362
flat angles C4'-P-C4' energy: -109.162
flat angles P-C4'-P energy: -46.514
tors. eta vs tors. theta energy: -93.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -1191.498961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.498961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.498961 (E_RNA)
where:
Base-Base interactions energy: -789.621
where: short stacking energy: -343.769
Base-Backbone interact. energy: 0.708
local terms energy: -402.585286
where:
bonds (distance) C4'-P energy: -88.061
bonds (distance) P-C4' energy: -94.917
flat angles C4'-P-C4' energy: -89.694
flat angles P-C4'-P energy: -64.076
tors. eta vs tors. theta energy: -65.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -814.110553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.110553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.110553 (E_RNA)
where:
Base-Base interactions energy: -475.833
where: short stacking energy: -238.108
Base-Backbone interact. energy: -1.058
local terms energy: -337.218654
where:
bonds (distance) C4'-P energy: -86.370
bonds (distance) P-C4' energy: -84.048
flat angles C4'-P-C4' energy: -80.297
flat angles P-C4'-P energy: -53.030
tors. eta vs tors. theta energy: -33.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -601.907660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.907660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.907660 (E_RNA)
where:
Base-Base interactions energy: -317.649
where: short stacking energy: -167.571
Base-Backbone interact. energy: -0.266
local terms energy: -283.993356
where:
bonds (distance) C4'-P energy: -84.992
bonds (distance) P-C4' energy: -79.913
flat angles C4'-P-C4' energy: -77.212
flat angles P-C4'-P energy: -37.888
tors. eta vs tors. theta energy: -3.989
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: 124
Temperature: 0.900000
Total energy: -1932.194377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.194377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.194377 (E_RNA)
where:
Base-Base interactions energy: -1392.173
where: short stacking energy: -551.795
Base-Backbone interact. energy: -1.970
local terms energy: -538.051312
where:
bonds (distance) C4'-P energy: -101.295
bonds (distance) P-C4' energy: -105.418
flat angles C4'-P-C4' energy: -110.688
flat angles P-C4'-P energy: -74.166
tors. eta vs tors. theta energy: -146.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1834.393068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.393068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.393068 (E_RNA)
where:
Base-Base interactions energy: -1293.475
where: short stacking energy: -528.022
Base-Backbone interact. energy: 2.042
local terms energy: -542.959915
where:
bonds (distance) C4'-P energy: -97.866
bonds (distance) P-C4' energy: -95.180
flat angles C4'-P-C4' energy: -124.436
flat angles P-C4'-P energy: -74.995
tors. eta vs tors. theta energy: -150.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1778.403636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.403636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.403636 (E_RNA)
where:
Base-Base interactions energy: -1292.666
where: short stacking energy: -510.967
Base-Backbone interact. energy: -0.711
local terms energy: -485.026914
where:
bonds (distance) C4'-P energy: -83.293
bonds (distance) P-C4' energy: -85.903
flat angles C4'-P-C4' energy: -108.201
flat angles P-C4'-P energy: -72.066
tors. eta vs tors. theta energy: -135.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1600.612047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.612047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.612047 (E_RNA)
where:
Base-Base interactions energy: -1092.653
where: short stacking energy: -472.896
Base-Backbone interact. energy: 0.012
local terms energy: -507.970772
where:
bonds (distance) C4'-P energy: -90.787
bonds (distance) P-C4' energy: -106.362
flat angles C4'-P-C4' energy: -107.238
flat angles P-C4'-P energy: -71.010
tors. eta vs tors. theta energy: -132.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1573.200997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.200997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.200997 (E_RNA)
where:
Base-Base interactions energy: -1081.121
where: short stacking energy: -452.099
Base-Backbone interact. energy: -0.649
local terms energy: -491.431443
where:
bonds (distance) C4'-P energy: -99.637
bonds (distance) P-C4' energy: -93.039
flat angles C4'-P-C4' energy: -105.876
flat angles P-C4'-P energy: -65.824
tors. eta vs tors. theta energy: -127.055
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: 6, replica: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1467.162423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.162423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.162423 (E_RNA)
where:
Base-Base interactions energy: -1034.793
where: short stacking energy: -421.773
Base-Backbone interact. energy: -1.261
local terms energy: -431.109187
where:
bonds (distance) C4'-P energy: -64.231
bonds (distance) P-C4' energy: -91.561
flat angles C4'-P-C4' energy: -110.178
flat angles P-C4'-P energy: -56.106
tors. eta vs tors. theta energy: -109.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1301.942047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.942047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.942047 (E_RNA)
where:
Base-Base interactions energy: -857.729
where: short stacking energy: -375.610
Base-Backbone interact. energy: -1.459
local terms energy: -442.753579
where:
bonds (distance) C4'-P energy: -90.337
bonds (distance) P-C4' energy: -100.473
flat angles C4'-P-C4' energy: -89.999
flat angles P-C4'-P energy: -71.493
tors. eta vs tors. theta energy: -90.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1126.014001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.014001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.014001 (E_RNA)
where:
Base-Base interactions energy: -747.962
where: short stacking energy: -322.191
Base-Backbone interact. energy: -1.371
local terms energy: -376.680721
where:
bonds (distance) C4'-P energy: -85.681
bonds (distance) P-C4' energy: -82.940
flat angles C4'-P-C4' energy: -84.812
flat angles P-C4'-P energy: -60.981
tors. eta vs tors. theta energy: -62.267
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: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -782.259174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.259174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.259174 (E_RNA)
where:
Base-Base interactions energy: -489.355
where: short stacking energy: -226.051
Base-Backbone interact. energy: 1.671
local terms energy: -294.574776
where:
bonds (distance) C4'-P energy: -75.906
bonds (distance) P-C4' energy: -103.343
flat angles C4'-P-C4' energy: -55.489
flat angles P-C4'-P energy: -45.385
tors. eta vs tors. theta energy: -14.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -528.843932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.843932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.843932 (E_RNA)
where:
Base-Base interactions energy: -244.599
where: short stacking energy: -148.515
Base-Backbone interact. energy: 4.805
local terms energy: -289.049654
where:
bonds (distance) C4'-P energy: -92.510
bonds (distance) P-C4' energy: -85.654
flat angles C4'-P-C4' energy: -67.448
flat angles P-C4'-P energy: -50.460
tors. eta vs tors. theta energy: 7.023
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: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1933.987752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.987752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.987752 (E_RNA)
where:
Base-Base interactions energy: -1369.829
where: short stacking energy: -542.968
Base-Backbone interact. energy: -2.729
local terms energy: -561.429367
where:
bonds (distance) C4'-P energy: -94.452
bonds (distance) P-C4' energy: -112.818
flat angles C4'-P-C4' energy: -117.495
flat angles P-C4'-P energy: -86.272
tors. eta vs tors. theta energy: -150.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1831.616684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.616684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.616684 (E_RNA)
where:
Base-Base interactions energy: -1296.635
where: short stacking energy: -537.869
Base-Backbone interact. energy: -2.292
local terms energy: -532.689752
where:
bonds (distance) C4'-P energy: -101.177
bonds (distance) P-C4' energy: -101.657
flat angles C4'-P-C4' energy: -109.064
flat angles P-C4'-P energy: -72.956
tors. eta vs tors. theta energy: -147.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1742.256101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.256101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.256101 (E_RNA)
where:
Base-Base interactions energy: -1214.386
where: short stacking energy: -498.774
Base-Backbone interact. energy: -5.142
local terms energy: -522.728701
where:
bonds (distance) C4'-P energy: -96.801
bonds (distance) P-C4' energy: -100.640
flat angles C4'-P-C4' energy: -115.334
flat angles P-C4'-P energy: -70.937
tors. eta vs tors. theta energy: -139.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1610.371399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.371399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.371399 (E_RNA)
where:
Base-Base interactions energy: -1096.094
where: short stacking energy: -459.563
Base-Backbone interact. energy: -2.862
local terms energy: -511.415910
where:
bonds (distance) C4'-P energy: -102.700
bonds (distance) P-C4' energy: -96.970
flat angles C4'-P-C4' energy: -122.164
flat angles P-C4'-P energy: -74.985
tors. eta vs tors. theta energy: -114.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1527.037558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.037558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.037558 (E_RNA)
where:
Base-Base interactions energy: -1035.603
where: short stacking energy: -435.023
Base-Backbone interact. energy: -2.812
local terms energy: -488.623399
where:
bonds (distance) C4'-P energy: -82.669
bonds (distance) P-C4' energy: -108.890
flat angles C4'-P-C4' energy: -97.708
flat angles P-C4'-P energy: -77.939
tors. eta vs tors. theta energy: -121.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1487.663009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.663009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.663009 (E_RNA)
where:
Base-Base interactions energy: -1007.992
where: short stacking energy: -421.802
Base-Backbone interact. energy: -3.462
local terms energy: -476.208233
where:
bonds (distance) C4'-P energy: -105.945
bonds (distance) P-C4' energy: -84.297
flat angles C4'-P-C4' energy: -111.110
flat angles P-C4'-P energy: -60.667
tors. eta vs tors. theta energy: -114.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1307.979610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.979610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.979610 (E_RNA)
where:
Base-Base interactions energy: -871.812
where: short stacking energy: -396.818
Base-Backbone interact. energy: -0.981
local terms energy: -435.186730
where:
bonds (distance) C4'-P energy: -99.548
bonds (distance) P-C4' energy: -94.144
flat angles C4'-P-C4' energy: -95.524
flat angles P-C4'-P energy: -56.231
tors. eta vs tors. theta energy: -89.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1114.237951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.237951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.237951 (E_RNA)
where:
Base-Base interactions energy: -739.773
where: short stacking energy: -323.687
Base-Backbone interact. energy: 4.335
local terms energy: -378.799605
where:
bonds (distance) C4'-P energy: -73.666
bonds (distance) P-C4' energy: -95.611
flat angles C4'-P-C4' energy: -99.251
flat angles P-C4'-P energy: -50.074
tors. eta vs tors. theta energy: -60.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -808.792987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.792987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.792987 (E_RNA)
where:
Base-Base interactions energy: -465.985
where: short stacking energy: -246.381
Base-Backbone interact. energy: -0.917
local terms energy: -341.891143
where:
bonds (distance) C4'-P energy: -98.248
bonds (distance) P-C4' energy: -95.367
flat angles C4'-P-C4' energy: -62.284
flat angles P-C4'-P energy: -56.716
tors. eta vs tors. theta energy: -29.276
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: 125
Temperature: 1.350000
Total energy: -538.943677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.943677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.943677 (E_RNA)
where:
Base-Base interactions energy: -260.216
where: short stacking energy: -167.147
Base-Backbone interact. energy: -1.143
local terms energy: -277.585121
where:
bonds (distance) C4'-P energy: -89.643
bonds (distance) P-C4' energy: -66.010
flat angles C4'-P-C4' energy: -62.902
flat angles P-C4'-P energy: -58.324
tors. eta vs tors. theta energy: -0.706
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: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1940.498150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.498150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.498150 (E_RNA)
where:
Base-Base interactions energy: -1395.788
where: short stacking energy: -556.219
Base-Backbone interact. energy: -0.333
local terms energy: -544.376837
where:
bonds (distance) C4'-P energy: -89.218
bonds (distance) P-C4' energy: -112.949
flat angles C4'-P-C4' energy: -119.443
flat angles P-C4'-P energy: -70.535
tors. eta vs tors. theta energy: -152.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1841.039915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.039915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.039915 (E_RNA)
where:
Base-Base interactions energy: -1285.112
where: short stacking energy: -548.222
Base-Backbone interact. energy: -2.556
local terms energy: -553.372666
where:
bonds (distance) C4'-P energy: -95.936
bonds (distance) P-C4' energy: -98.072
flat angles C4'-P-C4' energy: -118.399
flat angles P-C4'-P energy: -83.644
tors. eta vs tors. theta energy: -157.321
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: 126
Temperature: 1.000000
Total energy: -1760.966913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.966913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.966913 (E_RNA)
where:
Base-Base interactions energy: -1225.982
where: short stacking energy: -506.022
Base-Backbone interact. energy: -0.370
local terms energy: -534.614716
where:
bonds (distance) C4'-P energy: -94.899
bonds (distance) P-C4' energy: -113.603
flat angles C4'-P-C4' energy: -113.418
flat angles P-C4'-P energy: -72.099
tors. eta vs tors. theta energy: -140.595
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: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1610.038123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.038123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.038123 (E_RNA)
where:
Base-Base interactions energy: -1116.798
where: short stacking energy: -502.069
Base-Backbone interact. energy: -2.043
local terms energy: -491.197368
where:
bonds (distance) C4'-P energy: -92.350
bonds (distance) P-C4' energy: -90.241
flat angles C4'-P-C4' energy: -111.148
flat angles P-C4'-P energy: -70.447
tors. eta vs tors. theta energy: -127.011
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: 126
Temperature: 1.100000
Total energy: -1557.008062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.008062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.008062 (E_RNA)
where:
Base-Base interactions energy: -1086.039
where: short stacking energy: -448.768
Base-Backbone interact. energy: -4.760
local terms energy: -466.209150
where:
bonds (distance) C4'-P energy: -85.076
bonds (distance) P-C4' energy: -82.459
flat angles C4'-P-C4' energy: -102.013
flat angles P-C4'-P energy: -79.629
tors. eta vs tors. theta energy: -117.031
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: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1415.164882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.164882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.164882 (E_RNA)
where:
Base-Base interactions energy: -976.832
where: short stacking energy: -412.203
Base-Backbone interact. energy: -0.033
local terms energy: -438.299813
where:
bonds (distance) C4'-P energy: -84.777
bonds (distance) P-C4' energy: -98.055
flat angles C4'-P-C4' energy: -90.496
flat angles P-C4'-P energy: -56.748
tors. eta vs tors. theta energy: -108.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1296.544220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.544220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.544220 (E_RNA)
where:
Base-Base interactions energy: -864.521
where: short stacking energy: -372.250
Base-Backbone interact. energy: -1.250
local terms energy: -430.773946
where:
bonds (distance) C4'-P energy: -81.216
bonds (distance) P-C4' energy: -93.019
flat angles C4'-P-C4' energy: -96.784
flat angles P-C4'-P energy: -66.312
tors. eta vs tors. theta energy: -93.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1119.283381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.283381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.283381 (E_RNA)
where:
Base-Base interactions energy: -729.007
where: short stacking energy: -334.222
Base-Backbone interact. energy: -1.792
local terms energy: -388.484319
where:
bonds (distance) C4'-P energy: -89.401
bonds (distance) P-C4' energy: -87.332
flat angles C4'-P-C4' energy: -88.965
flat angles P-C4'-P energy: -69.588
tors. eta vs tors. theta energy: -53.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -787.441372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.441372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.441372 (E_RNA)
where:
Base-Base interactions energy: -460.292
where: short stacking energy: -239.483
Base-Backbone interact. energy: -0.993
local terms energy: -326.157100
where:
bonds (distance) C4'-P energy: -75.648
bonds (distance) P-C4' energy: -91.208
flat angles C4'-P-C4' energy: -80.366
flat angles P-C4'-P energy: -50.350
tors. eta vs tors. theta energy: -28.585
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: 126
Temperature: 1.350000
Total energy: -562.122016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.122016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.122016 (E_RNA)
where:
Base-Base interactions energy: -256.163
where: short stacking energy: -149.723
Base-Backbone interact. energy: -2.710
local terms energy: -303.248892
where:
bonds (distance) C4'-P energy: -88.505
bonds (distance) P-C4' energy: -95.662
flat angles C4'-P-C4' energy: -78.319
flat angles P-C4'-P energy: -44.104
tors. eta vs tors. theta energy: 3.341
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: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1922.625461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.625461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.625461 (E_RNA)
where:
Base-Base interactions energy: -1365.806
where: short stacking energy: -529.982
Base-Backbone interact. energy: -4.645
local terms energy: -552.174704
where:
bonds (distance) C4'-P energy: -107.870
bonds (distance) P-C4' energy: -91.489
flat angles C4'-P-C4' energy: -120.852
flat angles P-C4'-P energy: -85.609
tors. eta vs tors. theta energy: -146.355
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: 4
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1793.968635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.968635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.968635 (E_RNA)
where:
Base-Base interactions energy: -1243.041
where: short stacking energy: -510.669
Base-Backbone interact. energy: -1.169
local terms energy: -549.758749
where:
bonds (distance) C4'-P energy: -110.957
bonds (distance) P-C4' energy: -93.235
flat angles C4'-P-C4' energy: -117.142
flat angles P-C4'-P energy: -89.121
tors. eta vs tors. theta energy: -139.304
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: 127
Temperature: 1.000000
Total energy: -1746.276986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.276986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.276986 (E_RNA)
where:
Base-Base interactions energy: -1219.908
where: short stacking energy: -504.845
Base-Backbone interact. energy: -0.343
local terms energy: -526.025979
where:
bonds (distance) C4'-P energy: -98.047
bonds (distance) P-C4' energy: -102.195
flat angles C4'-P-C4' energy: -109.672
flat angles P-C4'-P energy: -74.917
tors. eta vs tors. theta energy: -141.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1662.435758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.435758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.435758 (E_RNA)
where:
Base-Base interactions energy: -1162.067
where: short stacking energy: -495.592
Base-Backbone interact. energy: 0.673
local terms energy: -501.042084
where:
bonds (distance) C4'-P energy: -83.134
bonds (distance) P-C4' energy: -102.478
flat angles C4'-P-C4' energy: -103.616
flat angles P-C4'-P energy: -67.725
tors. eta vs tors. theta energy: -144.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1555.281050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.281050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.281050 (E_RNA)
where:
Base-Base interactions energy: -1076.556
where: short stacking energy: -460.922
Base-Backbone interact. energy: -1.682
local terms energy: -477.042668
where:
bonds (distance) C4'-P energy: -90.614
bonds (distance) P-C4' energy: -109.367
flat angles C4'-P-C4' energy: -108.593
flat angles P-C4'-P energy: -52.336
tors. eta vs tors. theta energy: -116.133
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: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1465.320647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.320647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.320647 (E_RNA)
where:
Base-Base interactions energy: -1023.646
where: short stacking energy: -410.804
Base-Backbone interact. energy: -4.140
local terms energy: -437.534703
where:
bonds (distance) C4'-P energy: -87.132
bonds (distance) P-C4' energy: -82.842
flat angles C4'-P-C4' energy: -107.852
flat angles P-C4'-P energy: -55.828
tors. eta vs tors. theta energy: -103.881
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: 8
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1323.872608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.872608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.872608 (E_RNA)
where:
Base-Base interactions energy: -881.830
where: short stacking energy: -380.972
Base-Backbone interact. energy: -1.581
local terms energy: -440.461433
where:
bonds (distance) C4'-P energy: -91.554
bonds (distance) P-C4' energy: -89.267
flat angles C4'-P-C4' energy: -102.431
flat angles P-C4'-P energy: -59.802
tors. eta vs tors. theta energy: -97.408
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: 127
Temperature: 1.250000
Total energy: -1181.375660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.375660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.375660 (E_RNA)
where:
Base-Base interactions energy: -791.651
where: short stacking energy: -340.123
Base-Backbone interact. energy: -2.577
local terms energy: -387.148221
where:
bonds (distance) C4'-P energy: -74.715
bonds (distance) P-C4' energy: -83.527
flat angles C4'-P-C4' energy: -96.982
flat angles P-C4'-P energy: -55.238
tors. eta vs tors. theta energy: -76.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -724.386526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.386526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.386526 (E_RNA)
where:
Base-Base interactions energy: -408.922
where: short stacking energy: -215.468
Base-Backbone interact. energy: -0.199
local terms energy: -315.265818
where:
bonds (distance) C4'-P energy: -71.184
bonds (distance) P-C4' energy: -101.154
flat angles C4'-P-C4' energy: -78.324
flat angles P-C4'-P energy: -50.079
tors. eta vs tors. theta energy: -14.526
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: 127
Temperature: 1.350000
Total energy: -573.833862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.833862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.833862 (E_RNA)
where:
Base-Base interactions energy: -299.774
where: short stacking energy: -172.840
Base-Backbone interact. energy: 1.363
local terms energy: -275.423002
where:
bonds (distance) C4'-P energy: -93.126
bonds (distance) P-C4' energy: -95.219
flat angles C4'-P-C4' energy: -51.487
flat angles P-C4'-P energy: -43.092
tors. eta vs tors. theta energy: 7.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1920.756414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.756414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.756414 (E_RNA)
where:
Base-Base interactions energy: -1370.668
where: short stacking energy: -527.156
Base-Backbone interact. energy: -2.576
local terms energy: -547.512488
where:
bonds (distance) C4'-P energy: -104.359
bonds (distance) P-C4' energy: -110.244
flat angles C4'-P-C4' energy: -118.879
flat angles P-C4'-P energy: -77.003
tors. eta vs tors. theta energy: -137.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1831.680816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.680816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.680816 (E_RNA)
where:
Base-Base interactions energy: -1268.081
where: short stacking energy: -541.341
Base-Backbone interact. energy: -2.010
local terms energy: -561.590445
where:
bonds (distance) C4'-P energy: -107.765
bonds (distance) P-C4' energy: -104.950
flat angles C4'-P-C4' energy: -109.229
flat angles P-C4'-P energy: -84.982
tors. eta vs tors. theta energy: -154.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1678.568066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.568066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.568066 (E_RNA)
where:
Base-Base interactions energy: -1165.166
where: short stacking energy: -516.527
Base-Backbone interact. energy: -0.866
local terms energy: -512.536452
where:
bonds (distance) C4'-P energy: -95.706
bonds (distance) P-C4' energy: -86.629
flat angles C4'-P-C4' energy: -111.327
flat angles P-C4'-P energy: -77.137
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: 4, replica: 2
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1724.588686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.588686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.588686 (E_RNA)
where:
Base-Base interactions energy: -1199.442
where: short stacking energy: -505.644
Base-Backbone interact. energy: -3.221
local terms energy: -521.925175
where:
bonds (distance) C4'-P energy: -99.333
bonds (distance) P-C4' energy: -94.806
flat angles C4'-P-C4' energy: -112.127
flat angles P-C4'-P energy: -70.719
tors. eta vs tors. theta energy: -144.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1573.844194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.844194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.844194 (E_RNA)
where:
Base-Base interactions energy: -1103.275
where: short stacking energy: -463.282
Base-Backbone interact. energy: -0.604
local terms energy: -469.965151
where:
bonds (distance) C4'-P energy: -81.626
bonds (distance) P-C4' energy: -91.067
flat angles C4'-P-C4' energy: -102.552
flat angles P-C4'-P energy: -68.789
tors. eta vs tors. theta energy: -125.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1491.215372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.215372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.215372 (E_RNA)
where:
Base-Base interactions energy: -1045.873
where: short stacking energy: -449.040
Base-Backbone interact. energy: -3.527
local terms energy: -441.815256
where:
bonds (distance) C4'-P energy: -80.403
bonds (distance) P-C4' energy: -89.196
flat angles C4'-P-C4' energy: -103.733
flat angles P-C4'-P energy: -60.168
tors. eta vs tors. theta energy: -108.316
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: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1284.287532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.287532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.287532 (E_RNA)
where:
Base-Base interactions energy: -849.519
where: short stacking energy: -380.663
Base-Backbone interact. energy: 1.973
local terms energy: -436.741633
where:
bonds (distance) C4'-P energy: -79.024
bonds (distance) P-C4' energy: -97.577
flat angles C4'-P-C4' energy: -97.622
flat angles P-C4'-P energy: -82.628
tors. eta vs tors. theta energy: -79.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1146.216064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.216064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.216064 (E_RNA)
where:
Base-Base interactions energy: -757.997
where: short stacking energy: -336.435
Base-Backbone interact. energy: -2.184
local terms energy: -386.035095
where:
bonds (distance) C4'-P energy: -79.758
bonds (distance) P-C4' energy: -79.460
flat angles C4'-P-C4' energy: -102.389
flat angles P-C4'-P energy: -54.691
tors. eta vs tors. theta energy: -69.737
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: 9
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -729.563327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.563327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.563327 (E_RNA)
where:
Base-Base interactions energy: -398.340
where: short stacking energy: -212.252
Base-Backbone interact. energy: -2.681
local terms energy: -328.542912
where:
bonds (distance) C4'-P energy: -81.562
bonds (distance) P-C4' energy: -79.520
flat angles C4'-P-C4' energy: -103.998
flat angles P-C4'-P energy: -41.625
tors. eta vs tors. theta energy: -21.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -546.004496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.004496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.004496 (E_RNA)
where:
Base-Base interactions energy: -250.982
where: short stacking energy: -167.582
Base-Backbone interact. energy: -2.190
local terms energy: -292.832641
where:
bonds (distance) C4'-P energy: -85.138
bonds (distance) P-C4' energy: -84.434
flat angles C4'-P-C4' energy: -67.593
flat angles P-C4'-P energy: -38.420
tors. eta vs tors. theta energy: -17.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1914.683663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.683663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.683663 (E_RNA)
where:
Base-Base interactions energy: -1372.085
where: short stacking energy: -549.888
Base-Backbone interact. energy: -5.398
local terms energy: -537.200857
where:
bonds (distance) C4'-P energy: -87.993
bonds (distance) P-C4' energy: -111.636
flat angles C4'-P-C4' energy: -114.061
flat angles P-C4'-P energy: -71.669
tors. eta vs tors. theta energy: -151.843
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: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1805.282984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.282984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.282984 (E_RNA)
where:
Base-Base interactions energy: -1260.665
where: short stacking energy: -527.398
Base-Backbone interact. energy: -3.695
local terms energy: -540.923012
where:
bonds (distance) C4'-P energy: -109.113
bonds (distance) P-C4' energy: -98.768
flat angles C4'-P-C4' energy: -104.814
flat angles P-C4'-P energy: -83.499
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: 5
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1679.105506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.105506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.105506 (E_RNA)
where:
Base-Base interactions energy: -1181.622
where: short stacking energy: -479.996
Base-Backbone interact. energy: -1.700
local terms energy: -495.783494
where:
bonds (distance) C4'-P energy: -91.977
bonds (distance) P-C4' energy: -102.839
flat angles C4'-P-C4' energy: -104.033
flat angles P-C4'-P energy: -74.590
tors. eta vs tors. theta energy: -122.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1713.970258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.970258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.970258 (E_RNA)
where:
Base-Base interactions energy: -1187.911
where: short stacking energy: -489.515
Base-Backbone interact. energy: -3.715
local terms energy: -522.344216
where:
bonds (distance) C4'-P energy: -82.442
bonds (distance) P-C4' energy: -106.369
flat angles C4'-P-C4' energy: -113.183
flat angles P-C4'-P energy: -87.931
tors. eta vs tors. theta energy: -132.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1543.722601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.722601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.722601 (E_RNA)
where:
Base-Base interactions energy: -1084.447
where: short stacking energy: -450.341
Base-Backbone interact. energy: -4.625
local terms energy: -454.650548
where:
bonds (distance) C4'-P energy: -87.054
bonds (distance) P-C4' energy: -84.688
flat angles C4'-P-C4' energy: -100.915
flat angles P-C4'-P energy: -73.043
tors. eta vs tors. theta energy: -108.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1526.943523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.943523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.943523 (E_RNA)
where:
Base-Base interactions energy: -1050.296
where: short stacking energy: -451.104
Base-Backbone interact. energy: -2.865
local terms energy: -473.782739
where:
bonds (distance) C4'-P energy: -86.041
bonds (distance) P-C4' energy: -94.610
flat angles C4'-P-C4' energy: -106.403
flat angles P-C4'-P energy: -77.893
tors. eta vs tors. theta energy: -108.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1239.868240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.868240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.868240 (E_RNA)
where:
Base-Base interactions energy: -857.802
where: short stacking energy: -332.156
Base-Backbone interact. energy: 1.413
local terms energy: -383.479108
where:
bonds (distance) C4'-P energy: -81.860
bonds (distance) P-C4' energy: -79.255
flat angles C4'-P-C4' energy: -89.350
flat angles P-C4'-P energy: -62.972
tors. eta vs tors. theta energy: -70.042
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: 8, replica: 7
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -1163.366091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.366091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.366091 (E_RNA)
where:
Base-Base interactions energy: -769.212
where: short stacking energy: -316.137
Base-Backbone interact. energy: -3.880
local terms energy: -390.273621
where:
bonds (distance) C4'-P energy: -78.459
bonds (distance) P-C4' energy: -91.891
flat angles C4'-P-C4' energy: -91.036
flat angles P-C4'-P energy: -64.193
tors. eta vs tors. theta energy: -64.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -753.790795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.790795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.790795 (E_RNA)
where:
Base-Base interactions energy: -431.233
where: short stacking energy: -204.576
Base-Backbone interact. energy: 4.984
local terms energy: -327.542104
where:
bonds (distance) C4'-P energy: -90.899
bonds (distance) P-C4' energy: -95.313
flat angles C4'-P-C4' energy: -66.109
flat angles P-C4'-P energy: -58.593
tors. eta vs tors. theta energy: -16.627
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: 10, replica: 10
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -532.577822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.577822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.577822 (E_RNA)
where:
Base-Base interactions energy: -264.903
where: short stacking energy: -161.241
Base-Backbone interact. energy: -0.411
local terms energy: -267.263905
where:
bonds (distance) C4'-P energy: -76.338
bonds (distance) P-C4' energy: -81.275
flat angles C4'-P-C4' energy: -78.001
flat angles P-C4'-P energy: -41.474
tors. eta vs tors. theta energy: 9.825
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: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1914.455693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.455693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.455693 (E_RNA)
where:
Base-Base interactions energy: -1361.764
where: short stacking energy: -530.591
Base-Backbone interact. energy: -1.710
local terms energy: -550.981653
where:
bonds (distance) C4'-P energy: -91.034
bonds (distance) P-C4' energy: -98.111
flat angles C4'-P-C4' energy: -124.363
flat angles P-C4'-P energy: -80.160
tors. eta vs tors. theta energy: -157.314
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: 4
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1843.522813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.522813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.522813 (E_RNA)
where:
Base-Base interactions energy: -1294.762
where: short stacking energy: -545.122
Base-Backbone interact. energy: -2.676
local terms energy: -546.084863
where:
bonds (distance) C4'-P energy: -92.480
bonds (distance) P-C4' energy: -109.161
flat angles C4'-P-C4' energy: -116.827
flat angles P-C4'-P energy: -75.187
tors. eta vs tors. theta energy: -152.430
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: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1761.195257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.195257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.195257 (E_RNA)
where:
Base-Base interactions energy: -1229.269
where: short stacking energy: -517.959
Base-Backbone interact. energy: -1.220
local terms energy: -530.706284
where:
bonds (distance) C4'-P energy: -101.674
bonds (distance) P-C4' energy: -90.322
flat angles C4'-P-C4' energy: -119.651
flat angles P-C4'-P energy: -71.119
tors. eta vs tors. theta energy: -147.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1632.305623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.305623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.305623 (E_RNA)
where:
Base-Base interactions energy: -1141.677
where: short stacking energy: -486.969
Base-Backbone interact. energy: -3.222
local terms energy: -487.407355
where:
bonds (distance) C4'-P energy: -92.623
bonds (distance) P-C4' energy: -91.354
flat angles C4'-P-C4' energy: -104.990
flat angles P-C4'-P energy: -55.137
tors. eta vs tors. theta energy: -143.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1541.286578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.286578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.286578 (E_RNA)
where:
Base-Base interactions energy: -1066.761
where: short stacking energy: -459.066
Base-Backbone interact. energy: -1.710
local terms energy: -472.816262
where:
bonds (distance) C4'-P energy: -87.454
bonds (distance) P-C4' energy: -86.725
flat angles C4'-P-C4' energy: -101.208
flat angles P-C4'-P energy: -64.675
tors. eta vs tors. theta energy: -132.754
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: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1507.046619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.046619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.046619 (E_RNA)
where:
Base-Base interactions energy: -1051.302
where: short stacking energy: -437.659
Base-Backbone interact. energy: 2.049
local terms energy: -457.792885
where:
bonds (distance) C4'-P energy: -76.804
bonds (distance) P-C4' energy: -95.746
flat angles C4'-P-C4' energy: -107.783
flat angles P-C4'-P energy: -68.540
tors. eta vs tors. theta energy: -108.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1152.906293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.906293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.906293 (E_RNA)
where:
Base-Base interactions energy: -760.490
where: short stacking energy: -317.399
Base-Backbone interact. energy: 2.228
local terms energy: -394.643972
where:
bonds (distance) C4'-P energy: -84.667
bonds (distance) P-C4' energy: -92.313
flat angles C4'-P-C4' energy: -100.453
flat angles P-C4'-P energy: -56.773
tors. eta vs tors. theta energy: -60.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1201.001673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.001673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.001673 (E_RNA)
where:
Base-Base interactions energy: -822.378
where: short stacking energy: -331.489
Base-Backbone interact. energy: -2.103
local terms energy: -376.520631
where:
bonds (distance) C4'-P energy: -79.797
bonds (distance) P-C4' energy: -88.303
flat angles C4'-P-C4' energy: -96.834
flat angles P-C4'-P energy: -53.130
tors. eta vs tors. theta energy: -58.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -681.294538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.294538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.294538 (E_RNA)
where:
Base-Base interactions energy: -380.642
where: short stacking energy: -183.481
Base-Backbone interact. energy: -1.940
local terms energy: -298.711890
where:
bonds (distance) C4'-P energy: -77.128
bonds (distance) P-C4' energy: -90.255
flat angles C4'-P-C4' energy: -60.808
flat angles P-C4'-P energy: -68.253
tors. eta vs tors. theta energy: -2.268
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: 130
Temperature: 1.350000
Total energy: -511.425272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.425272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.425272 (E_RNA)
where:
Base-Base interactions energy: -246.764
where: short stacking energy: -140.835
Base-Backbone interact. energy: -3.055
local terms energy: -261.605466
where:
bonds (distance) C4'-P energy: -71.161
bonds (distance) P-C4' energy: -91.808
flat angles C4'-P-C4' energy: -72.020
flat angles P-C4'-P energy: -34.043
tors. eta vs tors. theta energy: 7.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1917.166043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.166043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.166043 (E_RNA)
where:
Base-Base interactions energy: -1352.904
where: short stacking energy: -566.988
Base-Backbone interact. energy: -3.389
local terms energy: -560.873905
where:
bonds (distance) C4'-P energy: -95.044
bonds (distance) P-C4' energy: -100.063
flat angles C4'-P-C4' energy: -123.325
flat angles P-C4'-P energy: -93.244
tors. eta vs tors. theta energy: -149.198
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: 4
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1819.010551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.010551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.010551 (E_RNA)
where:
Base-Base interactions energy: -1260.355
where: short stacking energy: -525.562
Base-Backbone interact. energy: -5.314
local terms energy: -553.341583
where:
bonds (distance) C4'-P energy: -105.498
bonds (distance) P-C4' energy: -103.986
flat angles C4'-P-C4' energy: -111.627
flat angles P-C4'-P energy: -84.756
tors. eta vs tors. theta energy: -147.475
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: 131
Temperature: 1.000000
Total energy: -1742.231461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.231461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.231461 (E_RNA)
where:
Base-Base interactions energy: -1195.996
where: short stacking energy: -520.358
Base-Backbone interact. energy: -4.800
local terms energy: -541.436338
where:
bonds (distance) C4'-P energy: -93.517
bonds (distance) P-C4' energy: -105.118
flat angles C4'-P-C4' energy: -116.358
flat angles P-C4'-P energy: -74.151
tors. eta vs tors. theta energy: -152.292
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: 6
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1610.873353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.873353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.873353 (E_RNA)
where:
Base-Base interactions energy: -1114.603
where: short stacking energy: -475.320
Base-Backbone interact. energy: -2.029
local terms energy: -494.241184
where:
bonds (distance) C4'-P energy: -102.192
bonds (distance) P-C4' energy: -89.199
flat angles C4'-P-C4' energy: -111.899
flat angles P-C4'-P energy: -76.847
tors. eta vs tors. theta energy: -114.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1565.848698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.848698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.848698 (E_RNA)
where:
Base-Base interactions energy: -1109.652
where: short stacking energy: -469.608
Base-Backbone interact. energy: -1.187
local terms energy: -455.009275
where:
bonds (distance) C4'-P energy: -86.139
bonds (distance) P-C4' energy: -76.495
flat angles C4'-P-C4' energy: -108.089
flat angles P-C4'-P energy: -64.842
tors. eta vs tors. theta energy: -119.446
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: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1515.372927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.372927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.372927 (E_RNA)
where:
Base-Base interactions energy: -1061.542
where: short stacking energy: -425.402
Base-Backbone interact. energy: -0.114
local terms energy: -453.717346
where:
bonds (distance) C4'-P energy: -84.358
bonds (distance) P-C4' energy: -94.166
flat angles C4'-P-C4' energy: -92.136
flat angles P-C4'-P energy: -64.988
tors. eta vs tors. theta energy: -118.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1203.426003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.426003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.426003 (E_RNA)
where:
Base-Base interactions energy: -802.053
where: short stacking energy: -359.299
Base-Backbone interact. energy: 1.153
local terms energy: -402.525352
where:
bonds (distance) C4'-P energy: -82.798
bonds (distance) P-C4' energy: -86.069
flat angles C4'-P-C4' energy: -95.082
flat angles P-C4'-P energy: -57.173
tors. eta vs tors. theta energy: -81.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1189.378234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.378234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.378234 (E_RNA)
where:
Base-Base interactions energy: -796.729
where: short stacking energy: -337.252
Base-Backbone interact. energy: 0.382
local terms energy: -393.031263
where:
bonds (distance) C4'-P energy: -83.129
bonds (distance) P-C4' energy: -102.310
flat angles C4'-P-C4' energy: -90.095
flat angles P-C4'-P energy: -52.297
tors. eta vs tors. theta energy: -65.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -700.102828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.102828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.102828 (E_RNA)
where:
Base-Base interactions energy: -401.992
where: short stacking energy: -219.064
Base-Backbone interact. energy: -0.470
local terms energy: -297.640719
where:
bonds (distance) C4'-P energy: -74.133
bonds (distance) P-C4' energy: -79.503
flat angles C4'-P-C4' energy: -76.692
flat angles P-C4'-P energy: -48.709
tors. eta vs tors. theta energy: -18.604
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: 131
Temperature: 1.350000
Total energy: -560.133829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.133829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.133829 (E_RNA)
where:
Base-Base interactions energy: -254.459
where: short stacking energy: -161.060
Base-Backbone interact. energy: -1.181
local terms energy: -304.494005
where:
bonds (distance) C4'-P energy: -95.493
bonds (distance) P-C4' energy: -94.011
flat angles C4'-P-C4' energy: -82.226
flat angles P-C4'-P energy: -39.805
tors. eta vs tors. theta energy: 7.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1970.155185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.155185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.155185 (E_RNA)
where:
Base-Base interactions energy: -1415.650
where: short stacking energy: -557.729
Base-Backbone interact. energy: -2.218
local terms energy: -552.287105
where:
bonds (distance) C4'-P energy: -100.829
bonds (distance) P-C4' energy: -99.081
flat angles C4'-P-C4' energy: -112.934
flat angles P-C4'-P energy: -87.146
tors. eta vs tors. theta energy: -152.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1802.002839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.002839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.002839 (E_RNA)
where:
Base-Base interactions energy: -1290.426
where: short stacking energy: -523.808
Base-Backbone interact. energy: -0.104
local terms energy: -511.473195
where:
bonds (distance) C4'-P energy: -88.594
bonds (distance) P-C4' energy: -83.453
flat angles C4'-P-C4' energy: -114.791
flat angles P-C4'-P energy: -78.807
tors. eta vs tors. theta energy: -145.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1788.508981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.508981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.508981 (E_RNA)
where:
Base-Base interactions energy: -1228.258
where: short stacking energy: -521.610
Base-Backbone interact. energy: -4.084
local terms energy: -556.167034
where:
bonds (distance) C4'-P energy: -89.114
bonds (distance) P-C4' energy: -103.804
flat angles C4'-P-C4' energy: -121.911
flat angles P-C4'-P energy: -84.735
tors. eta vs tors. theta energy: -156.603
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: 6
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1615.434967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.434967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.434967 (E_RNA)
where:
Base-Base interactions energy: -1111.058
where: short stacking energy: -454.639
Base-Backbone interact. energy: 0.089
local terms energy: -504.466433
where:
bonds (distance) C4'-P energy: -98.754
bonds (distance) P-C4' energy: -93.148
flat angles C4'-P-C4' energy: -116.470
flat angles P-C4'-P energy: -79.934
tors. eta vs tors. theta energy: -116.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1565.787019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.787019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.787019 (E_RNA)
where:
Base-Base interactions energy: -1081.310
where: short stacking energy: -461.468
Base-Backbone interact. energy: 0.482
local terms energy: -484.958970
where:
bonds (distance) C4'-P energy: -89.869
bonds (distance) P-C4' energy: -93.211
flat angles C4'-P-C4' energy: -111.698
flat angles P-C4'-P energy: -68.148
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: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1495.996102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.996102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.996102 (E_RNA)
where:
Base-Base interactions energy: -1039.886
where: short stacking energy: -436.886
Base-Backbone interact. energy: -2.516
local terms energy: -453.594368
where:
bonds (distance) C4'-P energy: -85.765
bonds (distance) P-C4' energy: -91.289
flat angles C4'-P-C4' energy: -91.495
flat angles P-C4'-P energy: -71.440
tors. eta vs tors. theta energy: -113.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1227.264050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.264050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.264050 (E_RNA)
where:
Base-Base interactions energy: -823.772
where: short stacking energy: -361.952
Base-Backbone interact. energy: -0.730
local terms energy: -402.761633
where:
bonds (distance) C4'-P energy: -91.414
bonds (distance) P-C4' energy: -89.086
flat angles C4'-P-C4' energy: -99.778
flat angles P-C4'-P energy: -42.273
tors. eta vs tors. theta energy: -80.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1180.477630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.477630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.477630 (E_RNA)
where:
Base-Base interactions energy: -797.672
where: short stacking energy: -328.256
Base-Backbone interact. energy: -0.624
local terms energy: -382.181966
where:
bonds (distance) C4'-P energy: -88.059
bonds (distance) P-C4' energy: -76.275
flat angles C4'-P-C4' energy: -92.430
flat angles P-C4'-P energy: -53.011
tors. eta vs tors. theta energy: -72.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -744.508407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.508407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.508407 (E_RNA)
where:
Base-Base interactions energy: -422.116
where: short stacking energy: -204.550
Base-Backbone interact. energy: 0.000
local terms energy: -322.393034
where:
bonds (distance) C4'-P energy: -84.965
bonds (distance) P-C4' energy: -81.389
flat angles C4'-P-C4' energy: -93.820
flat angles P-C4'-P energy: -56.804
tors. eta vs tors. theta energy: -5.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -517.591387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.591387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.591387 (E_RNA)
where:
Base-Base interactions energy: -230.387
where: short stacking energy: -145.079
Base-Backbone interact. energy: 1.171
local terms energy: -288.374712
where:
bonds (distance) C4'-P energy: -71.182
bonds (distance) P-C4' energy: -90.195
flat angles C4'-P-C4' energy: -61.171
flat angles P-C4'-P energy: -63.030
tors. eta vs tors. theta energy: -2.796
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: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1938.638523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.638523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.638523 (E_RNA)
where:
Base-Base interactions energy: -1380.491
where: short stacking energy: -567.707
Base-Backbone interact. energy: -0.770
local terms energy: -557.376786
where:
bonds (distance) C4'-P energy: -88.828
bonds (distance) P-C4' energy: -113.723
flat angles C4'-P-C4' energy: -119.955
flat angles P-C4'-P energy: -78.119
tors. eta vs tors. theta energy: -156.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1816.720640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.720640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.720640 (E_RNA)
where:
Base-Base interactions energy: -1259.109
where: short stacking energy: -519.824
Base-Backbone interact. energy: -0.376
local terms energy: -557.236381
where:
bonds (distance) C4'-P energy: -104.396
bonds (distance) P-C4' energy: -109.948
flat angles C4'-P-C4' energy: -106.863
flat angles P-C4'-P energy: -93.037
tors. eta vs tors. theta energy: -142.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1768.554477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.554477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.554477 (E_RNA)
where:
Base-Base interactions energy: -1240.620
where: short stacking energy: -505.335
Base-Backbone interact. energy: -3.227
local terms energy: -524.708010
where:
bonds (distance) C4'-P energy: -98.632
bonds (distance) P-C4' energy: -106.742
flat angles C4'-P-C4' energy: -105.343
flat angles P-C4'-P energy: -71.389
tors. eta vs tors. theta energy: -142.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1623.720494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.720494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.720494 (E_RNA)
where:
Base-Base interactions energy: -1127.861
where: short stacking energy: -512.130
Base-Backbone interact. energy: -3.175
local terms energy: -492.684545
where:
bonds (distance) C4'-P energy: -82.516
bonds (distance) P-C4' energy: -93.490
flat angles C4'-P-C4' energy: -109.928
flat angles P-C4'-P energy: -67.710
tors. eta vs tors. theta energy: -139.040
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: 5, replica: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1596.089447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.089447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.089447 (E_RNA)
where:
Base-Base interactions energy: -1101.880
where: short stacking energy: -442.534
Base-Backbone interact. energy: -3.738
local terms energy: -490.471142
where:
bonds (distance) C4'-P energy: -89.808
bonds (distance) P-C4' energy: -110.390
flat angles C4'-P-C4' energy: -102.771
flat angles P-C4'-P energy: -64.025
tors. eta vs tors. theta energy: -123.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1480.657170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.657170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.657170 (E_RNA)
where:
Base-Base interactions energy: -1032.686
where: short stacking energy: -433.150
Base-Backbone interact. energy: -4.086
local terms energy: -443.885618
where:
bonds (distance) C4'-P energy: -84.344
bonds (distance) P-C4' energy: -74.415
flat angles C4'-P-C4' energy: -96.847
flat angles P-C4'-P energy: -71.975
tors. eta vs tors. theta energy: -116.305
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: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1241.242905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.242905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.242905 (E_RNA)
where:
Base-Base interactions energy: -802.444
where: short stacking energy: -349.337
Base-Backbone interact. energy: -0.659
local terms energy: -438.139913
where:
bonds (distance) C4'-P energy: -100.783
bonds (distance) P-C4' energy: -92.508
flat angles C4'-P-C4' energy: -97.420
flat angles P-C4'-P energy: -69.732
tors. eta vs tors. theta energy: -77.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1134.992216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.992216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.992216 (E_RNA)
where:
Base-Base interactions energy: -734.859
where: short stacking energy: -305.640
Base-Backbone interact. energy: -2.633
local terms energy: -397.500532
where:
bonds (distance) C4'-P energy: -92.414
bonds (distance) P-C4' energy: -95.446
flat angles C4'-P-C4' energy: -96.983
flat angles P-C4'-P energy: -57.941
tors. eta vs tors. theta energy: -54.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -732.229586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.229586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.229586 (E_RNA)
where:
Base-Base interactions energy: -431.410
where: short stacking energy: -225.211
Base-Backbone interact. energy: -1.493
local terms energy: -299.326932
where:
bonds (distance) C4'-P energy: -80.520
bonds (distance) P-C4' energy: -92.090
flat angles C4'-P-C4' energy: -88.679
flat angles P-C4'-P energy: -29.571
tors. eta vs tors. theta energy: -8.466
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: 133
Temperature: 1.350000
Total energy: -589.393320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.393320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.393320 (E_RNA)
where:
Base-Base interactions energy: -257.646
where: short stacking energy: -174.251
Base-Backbone interact. energy: -0.278
local terms energy: -331.469834
where:
bonds (distance) C4'-P energy: -83.037
bonds (distance) P-C4' energy: -90.513
flat angles C4'-P-C4' energy: -82.134
flat angles P-C4'-P energy: -67.173
tors. eta vs tors. theta energy: -8.614
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: 1, replica: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1919.993600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.993600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.993600 (E_RNA)
where:
Base-Base interactions energy: -1339.581
where: short stacking energy: -547.221
Base-Backbone interact. energy: -2.345
local terms energy: -578.067468
where:
bonds (distance) C4'-P energy: -105.371
bonds (distance) P-C4' energy: -113.718
flat angles C4'-P-C4' energy: -120.351
flat angles P-C4'-P energy: -85.367
tors. eta vs tors. theta energy: -153.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1818.823750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.823750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.823750 (E_RNA)
where:
Base-Base interactions energy: -1261.859
where: short stacking energy: -535.256
Base-Backbone interact. energy: -1.154
local terms energy: -555.810316
where:
bonds (distance) C4'-P energy: -97.856
bonds (distance) P-C4' energy: -111.797
flat angles C4'-P-C4' energy: -114.620
flat angles P-C4'-P energy: -83.884
tors. eta vs tors. theta energy: -147.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1739.517220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.517220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.517220 (E_RNA)
where:
Base-Base interactions energy: -1206.879
where: short stacking energy: -488.839
Base-Backbone interact. energy: -0.265
local terms energy: -532.372775
where:
bonds (distance) C4'-P energy: -90.531
bonds (distance) P-C4' energy: -109.826
flat angles C4'-P-C4' energy: -109.932
flat angles P-C4'-P energy: -86.621
tors. eta vs tors. theta energy: -135.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1621.435250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.435250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.435250 (E_RNA)
where:
Base-Base interactions energy: -1121.277
where: short stacking energy: -448.347
Base-Backbone interact. energy: -1.241
local terms energy: -498.917271
where:
bonds (distance) C4'-P energy: -101.972
bonds (distance) P-C4' energy: -108.733
flat angles C4'-P-C4' energy: -106.875
flat angles P-C4'-P energy: -62.944
tors. eta vs tors. theta energy: -118.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1548.172359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.172359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.172359 (E_RNA)
where:
Base-Base interactions energy: -1061.419
where: short stacking energy: -456.182
Base-Backbone interact. energy: -1.111
local terms energy: -485.642883
where:
bonds (distance) C4'-P energy: -92.506
bonds (distance) P-C4' energy: -98.152
flat angles C4'-P-C4' energy: -104.190
flat angles P-C4'-P energy: -68.003
tors. eta vs tors. theta energy: -122.793
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: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1492.850565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.850565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.850565 (E_RNA)
where:
Base-Base interactions energy: -1035.305
where: short stacking energy: -427.120
Base-Backbone interact. energy: -1.953
local terms energy: -455.592401
where:
bonds (distance) C4'-P energy: -81.605
bonds (distance) P-C4' energy: -100.058
flat angles C4'-P-C4' energy: -105.494
flat angles P-C4'-P energy: -56.050
tors. eta vs tors. theta energy: -112.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1254.918239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.918239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.918239 (E_RNA)
where:
Base-Base interactions energy: -832.889
where: short stacking energy: -378.656
Base-Backbone interact. energy: 2.490
local terms energy: -424.519247
where:
bonds (distance) C4'-P energy: -88.335
bonds (distance) P-C4' energy: -100.163
flat angles C4'-P-C4' energy: -95.046
flat angles P-C4'-P energy: -54.468
tors. eta vs tors. theta energy: -86.508
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: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1094.984363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.984363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.984363 (E_RNA)
where:
Base-Base interactions energy: -722.322
where: short stacking energy: -319.288
Base-Backbone interact. energy: -1.869
local terms energy: -370.793411
where:
bonds (distance) C4'-P energy: -81.545
bonds (distance) P-C4' energy: -94.457
flat angles C4'-P-C4' energy: -78.912
flat angles P-C4'-P energy: -45.960
tors. eta vs tors. theta energy: -69.919
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: 9
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -763.616399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.616399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.616399 (E_RNA)
where:
Base-Base interactions energy: -423.513
where: short stacking energy: -207.771
Base-Backbone interact. energy: 1.456
local terms energy: -341.559046
where:
bonds (distance) C4'-P energy: -90.258
bonds (distance) P-C4' energy: -92.276
flat angles C4'-P-C4' energy: -94.143
flat angles P-C4'-P energy: -55.058
tors. eta vs tors. theta energy: -9.825
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: 134
Temperature: 1.350000
Total energy: -577.327849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.327849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.327849 (E_RNA)
where:
Base-Base interactions energy: -283.561
where: short stacking energy: -158.393
Base-Backbone interact. energy: -3.359
local terms energy: -290.408442
where:
bonds (distance) C4'-P energy: -97.258
bonds (distance) P-C4' energy: -88.838
flat angles C4'-P-C4' energy: -81.712
flat angles P-C4'-P energy: -33.641
tors. eta vs tors. theta energy: 11.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1920.224494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.224494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.224494 (E_RNA)
where:
Base-Base interactions energy: -1346.139
where: short stacking energy: -531.228
Base-Backbone interact. energy: -0.963
local terms energy: -573.122763
where:
bonds (distance) C4'-P energy: -114.432
bonds (distance) P-C4' energy: -104.184
flat angles C4'-P-C4' energy: -118.978
flat angles P-C4'-P energy: -89.838
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: 2, replica: 4
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1822.907906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.907906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.907906 (E_RNA)
where:
Base-Base interactions energy: -1278.886
where: short stacking energy: -550.010
Base-Backbone interact. energy: -2.133
local terms energy: -541.888717
where:
bonds (distance) C4'-P energy: -94.705
bonds (distance) P-C4' energy: -100.056
flat angles C4'-P-C4' energy: -112.716
flat angles P-C4'-P energy: -82.526
tors. eta vs tors. theta energy: -151.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1745.026376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.026376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.026376 (E_RNA)
where:
Base-Base interactions energy: -1223.723
where: short stacking energy: -508.487
Base-Backbone interact. energy: -2.650
local terms energy: -518.653999
where:
bonds (distance) C4'-P energy: -104.000
bonds (distance) P-C4' energy: -104.195
flat angles C4'-P-C4' energy: -111.823
flat angles P-C4'-P energy: -61.372
tors. eta vs tors. theta energy: -137.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1644.933548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.933548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.933548 (E_RNA)
where:
Base-Base interactions energy: -1139.600
where: short stacking energy: -468.019
Base-Backbone interact. energy: -3.228
local terms energy: -502.105875
where:
bonds (distance) C4'-P energy: -89.541
bonds (distance) P-C4' energy: -88.460
flat angles C4'-P-C4' energy: -106.427
flat angles P-C4'-P energy: -75.363
tors. eta vs tors. theta energy: -142.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1546.970306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.970306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.970306 (E_RNA)
where:
Base-Base interactions energy: -1076.409
where: short stacking energy: -449.730
Base-Backbone interact. energy: 2.622
local terms energy: -473.183111
where:
bonds (distance) C4'-P energy: -72.070
bonds (distance) P-C4' energy: -99.572
flat angles C4'-P-C4' energy: -115.491
flat angles P-C4'-P energy: -72.076
tors. eta vs tors. theta energy: -113.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1458.506071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.506071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.506071 (E_RNA)
where:
Base-Base interactions energy: -999.381
where: short stacking energy: -423.401
Base-Backbone interact. energy: -0.629
local terms energy: -458.495810
where:
bonds (distance) C4'-P energy: -85.104
bonds (distance) P-C4' energy: -98.476
flat angles C4'-P-C4' energy: -93.486
flat angles P-C4'-P energy: -69.517
tors. eta vs tors. theta energy: -111.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1251.991819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.991819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.991819 (E_RNA)
where:
Base-Base interactions energy: -821.710
where: short stacking energy: -381.470
Base-Backbone interact. energy: 2.106
local terms energy: -432.388384
where:
bonds (distance) C4'-P energy: -84.085
bonds (distance) P-C4' energy: -99.318
flat angles C4'-P-C4' energy: -94.215
flat angles P-C4'-P energy: -53.693
tors. eta vs tors. theta energy: -101.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1101.184317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.184317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.184317 (E_RNA)
where:
Base-Base interactions energy: -716.034
where: short stacking energy: -326.488
Base-Backbone interact. energy: -0.732
local terms energy: -384.418546
where:
bonds (distance) C4'-P energy: -79.263
bonds (distance) P-C4' energy: -88.363
flat angles C4'-P-C4' energy: -92.831
flat angles P-C4'-P energy: -39.206
tors. eta vs tors. theta energy: -84.757
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: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -723.929326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.929326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.929326 (E_RNA)
where:
Base-Base interactions energy: -426.172
where: short stacking energy: -208.712
Base-Backbone interact. energy: 3.125
local terms energy: -300.882621
where:
bonds (distance) C4'-P energy: -81.722
bonds (distance) P-C4' energy: -90.159
flat angles C4'-P-C4' energy: -66.305
flat angles P-C4'-P energy: -48.027
tors. eta vs tors. theta energy: -14.669
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: 135
Temperature: 1.350000
Total energy: -516.632506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.632506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.632506 (E_RNA)
where:
Base-Base interactions energy: -232.141
where: short stacking energy: -137.775
Base-Backbone interact. energy: 2.903
local terms energy: -287.394720
where:
bonds (distance) C4'-P energy: -92.297
bonds (distance) P-C4' energy: -90.743
flat angles C4'-P-C4' energy: -66.191
flat angles P-C4'-P energy: -41.793
tors. eta vs tors. theta energy: 3.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1923.502073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.502073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.502073 (E_RNA)
where:
Base-Base interactions energy: -1351.310
where: short stacking energy: -546.034
Base-Backbone interact. energy: -2.437
local terms energy: -569.754965
where:
bonds (distance) C4'-P energy: -99.498
bonds (distance) P-C4' energy: -113.531
flat angles C4'-P-C4' energy: -127.103
flat angles P-C4'-P energy: -68.115
tors. eta vs tors. theta energy: -161.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1831.478115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.478115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.478115 (E_RNA)
where:
Base-Base interactions energy: -1304.807
where: short stacking energy: -541.905
Base-Backbone interact. energy: 3.147
local terms energy: -529.817421
where:
bonds (distance) C4'-P energy: -96.421
bonds (distance) P-C4' energy: -86.521
flat angles C4'-P-C4' energy: -116.581
flat angles P-C4'-P energy: -82.570
tors. eta vs tors. theta energy: -147.723
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: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1751.077185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.077185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.077185 (E_RNA)
where:
Base-Base interactions energy: -1241.917
where: short stacking energy: -508.195
Base-Backbone interact. energy: -2.304
local terms energy: -506.856235
where:
bonds (distance) C4'-P energy: -87.203
bonds (distance) P-C4' energy: -88.206
flat angles C4'-P-C4' energy: -109.479
flat angles P-C4'-P energy: -84.107
tors. eta vs tors. theta energy: -137.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1622.734920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.734920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.734920 (E_RNA)
where:
Base-Base interactions energy: -1114.722
where: short stacking energy: -463.115
Base-Backbone interact. energy: 2.215
local terms energy: -510.227835
where:
bonds (distance) C4'-P energy: -101.461
bonds (distance) P-C4' energy: -101.065
flat angles C4'-P-C4' energy: -111.501
flat angles P-C4'-P energy: -63.579
tors. eta vs tors. theta energy: -132.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1534.668745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.668745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.668745 (E_RNA)
where:
Base-Base interactions energy: -1060.443
where: short stacking energy: -423.935
Base-Backbone interact. energy: -4.395
local terms energy: -469.830903
where:
bonds (distance) C4'-P energy: -73.035
bonds (distance) P-C4' energy: -106.907
flat angles C4'-P-C4' energy: -107.050
flat angles P-C4'-P energy: -79.145
tors. eta vs tors. theta energy: -103.694
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: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1515.671133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.671133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.671133 (E_RNA)
where:
Base-Base interactions energy: -1056.155
where: short stacking energy: -429.129
Base-Backbone interact. energy: -1.793
local terms energy: -457.723002
where:
bonds (distance) C4'-P energy: -86.128
bonds (distance) P-C4' energy: -94.556
flat angles C4'-P-C4' energy: -95.737
flat angles P-C4'-P energy: -68.852
tors. eta vs tors. theta energy: -112.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1223.655028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.655028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.655028 (E_RNA)
where:
Base-Base interactions energy: -830.844
where: short stacking energy: -359.044
Base-Backbone interact. energy: 0.313
local terms energy: -393.123503
where:
bonds (distance) C4'-P energy: -82.841
bonds (distance) P-C4' energy: -86.207
flat angles C4'-P-C4' energy: -88.266
flat angles P-C4'-P energy: -58.548
tors. eta vs tors. theta energy: -77.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1097.692681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.692681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.692681 (E_RNA)
where:
Base-Base interactions energy: -686.473
where: short stacking energy: -313.893
Base-Backbone interact. energy: -1.152
local terms energy: -410.067675
where:
bonds (distance) C4'-P energy: -88.631
bonds (distance) P-C4' energy: -87.714
flat angles C4'-P-C4' energy: -105.552
flat angles P-C4'-P energy: -56.045
tors. eta vs tors. theta energy: -72.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -790.537783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.537783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.537783 (E_RNA)
where:
Base-Base interactions energy: -467.099
where: short stacking energy: -227.581
Base-Backbone interact. energy: 3.495
local terms energy: -326.933824
where:
bonds (distance) C4'-P energy: -87.664
bonds (distance) P-C4' energy: -76.283
flat angles C4'-P-C4' energy: -90.473
flat angles P-C4'-P energy: -42.397
tors. eta vs tors. theta energy: -30.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -540.865694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.865694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.865694 (E_RNA)
where:
Base-Base interactions energy: -274.738
where: short stacking energy: -157.577
Base-Backbone interact. energy: -1.797
local terms energy: -264.331419
where:
bonds (distance) C4'-P energy: -86.608
bonds (distance) P-C4' energy: -95.820
flat angles C4'-P-C4' energy: -60.195
flat angles P-C4'-P energy: -36.080
tors. eta vs tors. theta energy: 14.371
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: 137
Temperature: 0.900000
Total energy: -1930.903529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.903529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.903529 (E_RNA)
where:
Base-Base interactions energy: -1361.965
where: short stacking energy: -557.241
Base-Backbone interact. energy: -2.467
local terms energy: -566.471269
where:
bonds (distance) C4'-P energy: -115.076
bonds (distance) P-C4' energy: -104.844
flat angles C4'-P-C4' energy: -119.476
flat angles P-C4'-P energy: -76.285
tors. eta vs tors. theta energy: -150.791
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: 2, replica: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1835.461842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.461842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.461842 (E_RNA)
where:
Base-Base interactions energy: -1299.350
where: short stacking energy: -520.198
Base-Backbone interact. energy: 0.280
local terms energy: -536.391844
where:
bonds (distance) C4'-P energy: -91.063
bonds (distance) P-C4' energy: -104.836
flat angles C4'-P-C4' energy: -109.457
flat angles P-C4'-P energy: -73.546
tors. eta vs tors. theta energy: -157.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1710.794254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.794254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.794254 (E_RNA)
where:
Base-Base interactions energy: -1199.310
where: short stacking energy: -494.208
Base-Backbone interact. energy: -0.677
local terms energy: -510.806755
where:
bonds (distance) C4'-P energy: -89.457
bonds (distance) P-C4' energy: -95.786
flat angles C4'-P-C4' energy: -108.775
flat angles P-C4'-P energy: -76.465
tors. eta vs tors. theta energy: -140.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1624.122280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.122280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.122280 (E_RNA)
where:
Base-Base interactions energy: -1144.929
where: short stacking energy: -485.223
Base-Backbone interact. energy: -0.715
local terms energy: -478.478310
where:
bonds (distance) C4'-P energy: -83.960
bonds (distance) P-C4' energy: -94.189
flat angles C4'-P-C4' energy: -109.779
flat angles P-C4'-P energy: -65.223
tors. eta vs tors. theta energy: -125.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1534.086923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.086923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.086923 (E_RNA)
where:
Base-Base interactions energy: -1054.876
where: short stacking energy: -443.249
Base-Backbone interact. energy: -1.052
local terms energy: -478.158408
where:
bonds (distance) C4'-P energy: -85.390
bonds (distance) P-C4' energy: -106.766
flat angles C4'-P-C4' energy: -108.911
flat angles P-C4'-P energy: -70.130
tors. eta vs tors. theta energy: -106.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1487.145710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.145710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.145710 (E_RNA)
where:
Base-Base interactions energy: -1031.186
where: short stacking energy: -433.156
Base-Backbone interact. energy: -1.990
local terms energy: -453.970053
where:
bonds (distance) C4'-P energy: -89.607
bonds (distance) P-C4' energy: -82.269
flat angles C4'-P-C4' energy: -100.713
flat angles P-C4'-P energy: -69.659
tors. eta vs tors. theta energy: -111.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1256.221428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.221428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.221428 (E_RNA)
where:
Base-Base interactions energy: -822.974
where: short stacking energy: -360.813
Base-Backbone interact. energy: 1.740
local terms energy: -434.987300
where:
bonds (distance) C4'-P energy: -82.697
bonds (distance) P-C4' energy: -87.741
flat angles C4'-P-C4' energy: -109.961
flat angles P-C4'-P energy: -58.926
tors. eta vs tors. theta energy: -95.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1116.583904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.583904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.583904 (E_RNA)
where:
Base-Base interactions energy: -719.589
where: short stacking energy: -321.168
Base-Backbone interact. energy: 0.134
local terms energy: -397.128770
where:
bonds (distance) C4'-P energy: -85.740
bonds (distance) P-C4' energy: -96.580
flat angles C4'-P-C4' energy: -92.701
flat angles P-C4'-P energy: -53.643
tors. eta vs tors. theta energy: -68.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -807.618927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.618927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.618927 (E_RNA)
where:
Base-Base interactions energy: -475.778
where: short stacking energy: -243.012
Base-Backbone interact. energy: -1.745
local terms energy: -330.096821
where:
bonds (distance) C4'-P energy: -91.611
bonds (distance) P-C4' energy: -76.095
flat angles C4'-P-C4' energy: -90.930
flat angles P-C4'-P energy: -38.961
tors. eta vs tors. theta energy: -32.499
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: 137
Temperature: 1.350000
Total energy: -544.097396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.097396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.097396 (E_RNA)
where:
Base-Base interactions energy: -226.175
where: short stacking energy: -135.775
Base-Backbone interact. energy: -0.779
local terms energy: -317.142874
where:
bonds (distance) C4'-P energy: -89.390
bonds (distance) P-C4' energy: -95.899
flat angles C4'-P-C4' energy: -89.760
flat angles P-C4'-P energy: -54.700
tors. eta vs tors. theta energy: 12.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1917.435844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.435844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.435844 (E_RNA)
where:
Base-Base interactions energy: -1353.828
where: short stacking energy: -544.172
Base-Backbone interact. energy: -1.215
local terms energy: -562.392269
where:
bonds (distance) C4'-P energy: -103.249
bonds (distance) P-C4' energy: -111.041
flat angles C4'-P-C4' energy: -120.923
flat angles P-C4'-P energy: -75.169
tors. eta vs tors. theta energy: -152.009
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: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1801.653983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.653983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.653983 (E_RNA)
where:
Base-Base interactions energy: -1257.341
where: short stacking energy: -524.165
Base-Backbone interact. energy: -2.773
local terms energy: -541.539976
where:
bonds (distance) C4'-P energy: -99.556
bonds (distance) P-C4' energy: -108.463
flat angles C4'-P-C4' energy: -111.116
flat angles P-C4'-P energy: -70.626
tors. eta vs tors. theta energy: -151.779
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: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1711.175994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.175994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.175994 (E_RNA)
where:
Base-Base interactions energy: -1178.399
where: short stacking energy: -507.687
Base-Backbone interact. energy: -1.466
local terms energy: -531.311076
where:
bonds (distance) C4'-P energy: -96.486
bonds (distance) P-C4' energy: -96.118
flat angles C4'-P-C4' energy: -114.608
flat angles P-C4'-P energy: -79.473
tors. eta vs tors. theta energy: -144.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1648.857746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.857746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.857746 (E_RNA)
where:
Base-Base interactions energy: -1156.541
where: short stacking energy: -474.604
Base-Backbone interact. energy: 2.862
local terms energy: -495.178976
where:
bonds (distance) C4'-P energy: -87.336
bonds (distance) P-C4' energy: -101.543
flat angles C4'-P-C4' energy: -108.231
flat angles P-C4'-P energy: -70.388
tors. eta vs tors. theta energy: -127.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1592.037168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.037168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.037168 (E_RNA)
where:
Base-Base interactions energy: -1091.494
where: short stacking energy: -430.800
Base-Backbone interact. energy: -5.232
local terms energy: -495.310962
where:
bonds (distance) C4'-P energy: -96.815
bonds (distance) P-C4' energy: -92.611
flat angles C4'-P-C4' energy: -105.832
flat angles P-C4'-P energy: -82.148
tors. eta vs tors. theta energy: -117.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1446.094343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.094343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.094343 (E_RNA)
where:
Base-Base interactions energy: -973.449
where: short stacking energy: -402.365
Base-Backbone interact. energy: -0.823
local terms energy: -471.822196
where:
bonds (distance) C4'-P energy: -87.080
bonds (distance) P-C4' energy: -94.691
flat angles C4'-P-C4' energy: -108.911
flat angles P-C4'-P energy: -76.363
tors. eta vs tors. theta energy: -104.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1230.271684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.271684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.271684 (E_RNA)
where:
Base-Base interactions energy: -812.074
where: short stacking energy: -345.265
Base-Backbone interact. energy: 0.235
local terms energy: -418.432480
where:
bonds (distance) C4'-P energy: -96.141
bonds (distance) P-C4' energy: -86.007
flat angles C4'-P-C4' energy: -94.699
flat angles P-C4'-P energy: -58.073
tors. eta vs tors. theta energy: -83.513
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: 7
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1121.997711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.997711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.997711 (E_RNA)
where:
Base-Base interactions energy: -746.485
where: short stacking energy: -330.166
Base-Backbone interact. energy: 0.048
local terms energy: -375.560613
where:
bonds (distance) C4'-P energy: -83.039
bonds (distance) P-C4' energy: -88.902
flat angles C4'-P-C4' energy: -89.928
flat angles P-C4'-P energy: -52.469
tors. eta vs tors. theta energy: -61.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -784.839644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.839644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.839644 (E_RNA)
where:
Base-Base interactions energy: -447.681
where: short stacking energy: -232.593
Base-Backbone interact. energy: -1.767
local terms energy: -335.391069
where:
bonds (distance) C4'-P energy: -85.751
bonds (distance) P-C4' energy: -76.449
flat angles C4'-P-C4' energy: -89.490
flat angles P-C4'-P energy: -54.886
tors. eta vs tors. theta energy: -28.815
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: 138
Temperature: 1.350000
Total energy: -571.544001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.544001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.544001 (E_RNA)
where:
Base-Base interactions energy: -291.169
where: short stacking energy: -181.370
Base-Backbone interact. energy: 0.503
local terms energy: -280.877656
where:
bonds (distance) C4'-P energy: -86.195
bonds (distance) P-C4' energy: -77.944
flat angles C4'-P-C4' energy: -55.251
flat angles P-C4'-P energy: -48.193
tors. eta vs tors. theta energy: -13.295
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: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1915.208550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.208550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.208550 (E_RNA)
where:
Base-Base interactions energy: -1347.621
where: short stacking energy: -548.233
Base-Backbone interact. energy: -1.677
local terms energy: -565.910762
where:
bonds (distance) C4'-P energy: -103.066
bonds (distance) P-C4' energy: -115.350
flat angles C4'-P-C4' energy: -117.371
flat angles P-C4'-P energy: -80.996
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: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1793.051336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.051336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.051336 (E_RNA)
where:
Base-Base interactions energy: -1268.220
where: short stacking energy: -533.132
Base-Backbone interact. energy: -3.655
local terms energy: -521.176306
where:
bonds (distance) C4'-P energy: -94.625
bonds (distance) P-C4' energy: -105.710
flat angles C4'-P-C4' energy: -103.766
flat angles P-C4'-P energy: -71.309
tors. eta vs tors. theta energy: -145.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1728.612579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.612579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.612579 (E_RNA)
where:
Base-Base interactions energy: -1204.695
where: short stacking energy: -516.376
Base-Backbone interact. energy: -0.263
local terms energy: -523.654999
where:
bonds (distance) C4'-P energy: -103.836
bonds (distance) P-C4' energy: -94.720
flat angles C4'-P-C4' energy: -111.171
flat angles P-C4'-P energy: -62.500
tors. eta vs tors. theta energy: -151.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1654.224156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.224156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.224156 (E_RNA)
where:
Base-Base interactions energy: -1149.543
where: short stacking energy: -485.019
Base-Backbone interact. energy: -0.046
local terms energy: -504.635362
where:
bonds (distance) C4'-P energy: -95.158
bonds (distance) P-C4' energy: -99.666
flat angles C4'-P-C4' energy: -109.130
flat angles P-C4'-P energy: -70.242
tors. eta vs tors. theta energy: -130.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1535.442676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.442676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.442676 (E_RNA)
where:
Base-Base interactions energy: -1049.326
where: short stacking energy: -411.953
Base-Backbone interact. energy: -1.956
local terms energy: -484.160299
where:
bonds (distance) C4'-P energy: -102.288
bonds (distance) P-C4' energy: -98.956
flat angles C4'-P-C4' energy: -103.955
flat angles P-C4'-P energy: -70.438
tors. eta vs tors. theta energy: -108.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1499.318942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.318942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.318942 (E_RNA)
where:
Base-Base interactions energy: -1019.044
where: short stacking energy: -454.736
Base-Backbone interact. energy: 0.082
local terms energy: -480.356860
where:
bonds (distance) C4'-P energy: -107.541
bonds (distance) P-C4' energy: -85.680
flat angles C4'-P-C4' energy: -113.860
flat angles P-C4'-P energy: -67.702
tors. eta vs tors. theta energy: -105.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1272.142952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.142952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.142952 (E_RNA)
where:
Base-Base interactions energy: -845.739
where: short stacking energy: -365.027
Base-Backbone interact. energy: -1.506
local terms energy: -424.897623
where:
bonds (distance) C4'-P energy: -85.787
bonds (distance) P-C4' energy: -81.328
flat angles C4'-P-C4' energy: -93.990
flat angles P-C4'-P energy: -79.864
tors. eta vs tors. theta energy: -83.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1075.687712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.687712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.687712 (E_RNA)
where:
Base-Base interactions energy: -688.994
where: short stacking energy: -286.990
Base-Backbone interact. energy: 0.555
local terms energy: -387.248752
where:
bonds (distance) C4'-P energy: -85.169
bonds (distance) P-C4' energy: -88.854
flat angles C4'-P-C4' energy: -92.059
flat angles P-C4'-P energy: -56.026
tors. eta vs tors. theta energy: -65.141
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: 139
Temperature: 1.300000
Total energy: -744.374257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.374257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.374257 (E_RNA)
where:
Base-Base interactions energy: -425.902
where: short stacking energy: -226.601
Base-Backbone interact. energy: -0.623
local terms energy: -317.849019
where:
bonds (distance) C4'-P energy: -92.886
bonds (distance) P-C4' energy: -85.019
flat angles C4'-P-C4' energy: -84.705
flat angles P-C4'-P energy: -42.791
tors. eta vs tors. theta energy: -12.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -529.790412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.790412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.790412 (E_RNA)
where:
Base-Base interactions energy: -258.039
where: short stacking energy: -163.899
Base-Backbone interact. energy: 0.180
local terms energy: -271.931795
where:
bonds (distance) C4'-P energy: -66.120
bonds (distance) P-C4' energy: -93.186
flat angles C4'-P-C4' energy: -66.822
flat angles P-C4'-P energy: -49.970
tors. eta vs tors. theta energy: 4.166
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: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1940.132150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.132150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.132150 (E_RNA)
where:
Base-Base interactions energy: -1381.229
where: short stacking energy: -544.934
Base-Backbone interact. energy: -3.970
local terms energy: -554.932801
where:
bonds (distance) C4'-P energy: -101.807
bonds (distance) P-C4' energy: -109.277
flat angles C4'-P-C4' energy: -117.616
flat angles P-C4'-P energy: -73.711
tors. eta vs tors. theta energy: -152.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1802.172959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.172959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.172959 (E_RNA)
where:
Base-Base interactions energy: -1263.543
where: short stacking energy: -488.708
Base-Backbone interact. energy: -0.508
local terms energy: -538.121991
where:
bonds (distance) C4'-P energy: -118.185
bonds (distance) P-C4' energy: -94.379
flat angles C4'-P-C4' energy: -116.473
flat angles P-C4'-P energy: -78.686
tors. eta vs tors. theta energy: -130.399
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: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1721.668294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.668294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.668294 (E_RNA)
where:
Base-Base interactions energy: -1218.829
where: short stacking energy: -502.985
Base-Backbone interact. energy: -2.557
local terms energy: -500.282209
where:
bonds (distance) C4'-P energy: -94.736
bonds (distance) P-C4' energy: -97.225
flat angles C4'-P-C4' energy: -114.360
flat angles P-C4'-P energy: -71.226
tors. eta vs tors. theta energy: -122.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1659.604336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.604336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.604336 (E_RNA)
where:
Base-Base interactions energy: -1162.028
where: short stacking energy: -490.146
Base-Backbone interact. energy: 1.187
local terms energy: -498.763579
where:
bonds (distance) C4'-P energy: -89.984
bonds (distance) P-C4' energy: -97.439
flat angles C4'-P-C4' energy: -108.339
flat angles P-C4'-P energy: -75.425
tors. eta vs tors. theta energy: -127.577
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: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1536.046316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.046316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.046316 (E_RNA)
where:
Base-Base interactions energy: -1056.524
where: short stacking energy: -435.328
Base-Backbone interact. energy: -0.709
local terms energy: -478.813828
where:
bonds (distance) C4'-P energy: -93.741
bonds (distance) P-C4' energy: -99.006
flat angles C4'-P-C4' energy: -107.054
flat angles P-C4'-P energy: -77.562
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: 6, replica: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1448.523639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.523639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.523639 (E_RNA)
where:
Base-Base interactions energy: -996.111
where: short stacking energy: -415.776
Base-Backbone interact. energy: -0.265
local terms energy: -452.147399
where:
bonds (distance) C4'-P energy: -98.289
bonds (distance) P-C4' energy: -96.312
flat angles C4'-P-C4' energy: -98.285
flat angles P-C4'-P energy: -53.111
tors. eta vs tors. theta energy: -106.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1250.847895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.847895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.847895 (E_RNA)
where:
Base-Base interactions energy: -855.982
where: short stacking energy: -357.912
Base-Backbone interact. energy: 1.754
local terms energy: -396.619799
where:
bonds (distance) C4'-P energy: -80.247
bonds (distance) P-C4' energy: -79.180
flat angles C4'-P-C4' energy: -94.539
flat angles P-C4'-P energy: -65.641
tors. eta vs tors. theta energy: -77.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1099.721044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.721044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.721044 (E_RNA)
where:
Base-Base interactions energy: -726.351
where: short stacking energy: -315.806
Base-Backbone interact. energy: 3.530
local terms energy: -376.900452
where:
bonds (distance) C4'-P energy: -100.580
bonds (distance) P-C4' energy: -74.859
flat angles C4'-P-C4' energy: -85.529
flat angles P-C4'-P energy: -57.318
tors. eta vs tors. theta energy: -58.614
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: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -764.819612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.819612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.819612 (E_RNA)
where:
Base-Base interactions energy: -423.278
where: short stacking energy: -247.112
Base-Backbone interact. energy: 1.064
local terms energy: -342.605328
where:
bonds (distance) C4'-P energy: -66.374
bonds (distance) P-C4' energy: -88.527
flat angles C4'-P-C4' energy: -93.094
flat angles P-C4'-P energy: -60.704
tors. eta vs tors. theta energy: -33.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -584.697277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.697277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.697277 (E_RNA)
where:
Base-Base interactions energy: -280.694
where: short stacking energy: -150.137
Base-Backbone interact. energy: -1.482
local terms energy: -302.520391
where:
bonds (distance) C4'-P energy: -85.394
bonds (distance) P-C4' energy: -87.566
flat angles C4'-P-C4' energy: -78.578
flat angles P-C4'-P energy: -50.140
tors. eta vs tors. theta energy: -0.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1916.261355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.261355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.261355 (E_RNA)
where:
Base-Base interactions energy: -1347.906
where: short stacking energy: -543.853
Base-Backbone interact. energy: -4.074
local terms energy: -564.281392
where:
bonds (distance) C4'-P energy: -102.115
bonds (distance) P-C4' energy: -114.775
flat angles C4'-P-C4' energy: -130.368
flat angles P-C4'-P energy: -61.695
tors. eta vs tors. theta energy: -155.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1804.057748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.057748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.057748 (E_RNA)
where:
Base-Base interactions energy: -1280.896
where: short stacking energy: -512.113
Base-Backbone interact. energy: -2.921
local terms energy: -520.241326
where:
bonds (distance) C4'-P energy: -90.117
bonds (distance) P-C4' energy: -102.076
flat angles C4'-P-C4' energy: -114.727
flat angles P-C4'-P energy: -80.102
tors. eta vs tors. theta energy: -133.220
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: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1725.861447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.861447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.861447 (E_RNA)
where:
Base-Base interactions energy: -1211.604
where: short stacking energy: -516.928
Base-Backbone interact. energy: -3.472
local terms energy: -510.785914
where:
bonds (distance) C4'-P energy: -95.603
bonds (distance) P-C4' energy: -87.412
flat angles C4'-P-C4' energy: -116.527
flat angles P-C4'-P energy: -69.087
tors. eta vs tors. theta energy: -142.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1646.669599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.669599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.669599 (E_RNA)
where:
Base-Base interactions energy: -1138.926
where: short stacking energy: -494.204
Base-Backbone interact. energy: 0.701
local terms energy: -508.444184
where:
bonds (distance) C4'-P energy: -99.314
bonds (distance) P-C4' energy: -89.277
flat angles C4'-P-C4' energy: -111.776
flat angles P-C4'-P energy: -74.200
tors. eta vs tors. theta energy: -133.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1596.700392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.700392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.700392 (E_RNA)
where:
Base-Base interactions energy: -1119.580
where: short stacking energy: -453.665
Base-Backbone interact. energy: -4.015
local terms energy: -473.105423
where:
bonds (distance) C4'-P energy: -95.673
bonds (distance) P-C4' energy: -97.541
flat angles C4'-P-C4' energy: -106.554
flat angles P-C4'-P energy: -57.079
tors. eta vs tors. theta energy: -116.259
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: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1468.460759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.460759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.460759 (E_RNA)
where:
Base-Base interactions energy: -1007.275
where: short stacking energy: -414.748
Base-Backbone interact. energy: -2.843
local terms energy: -458.342401
where:
bonds (distance) C4'-P energy: -79.915
bonds (distance) P-C4' energy: -86.617
flat angles C4'-P-C4' energy: -104.108
flat angles P-C4'-P energy: -83.383
tors. eta vs tors. theta energy: -104.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1274.376328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.376328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.376328 (E_RNA)
where:
Base-Base interactions energy: -839.576
where: short stacking energy: -356.120
Base-Backbone interact. energy: -3.051
local terms energy: -431.749829
where:
bonds (distance) C4'-P energy: -92.538
bonds (distance) P-C4' energy: -98.754
flat angles C4'-P-C4' energy: -99.651
flat angles P-C4'-P energy: -63.863
tors. eta vs tors. theta energy: -76.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -1129.503444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.503444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.503444 (E_RNA)
where:
Base-Base interactions energy: -729.339
where: short stacking energy: -315.474
Base-Backbone interact. energy: -1.386
local terms energy: -398.778601
where:
bonds (distance) C4'-P energy: -85.074
bonds (distance) P-C4' energy: -104.430
flat angles C4'-P-C4' energy: -86.925
flat angles P-C4'-P energy: -59.812
tors. eta vs tors. theta energy: -62.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -729.725069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.725069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.725069 (E_RNA)
where:
Base-Base interactions energy: -406.704
where: short stacking energy: -181.376
Base-Backbone interact. energy: -0.748
local terms energy: -322.272772
where:
bonds (distance) C4'-P energy: -93.512
bonds (distance) P-C4' energy: -87.019
flat angles C4'-P-C4' energy: -85.827
flat angles P-C4'-P energy: -51.111
tors. eta vs tors. theta energy: -4.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -569.791328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.791328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.791328 (E_RNA)
where:
Base-Base interactions energy: -283.732
where: short stacking energy: -156.674
Base-Backbone interact. energy: 0.897
local terms energy: -286.955814
where:
bonds (distance) C4'-P energy: -73.861
bonds (distance) P-C4' energy: -82.571
flat angles C4'-P-C4' energy: -84.973
flat angles P-C4'-P energy: -47.804
tors. eta vs tors. theta energy: 2.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1920.339788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.339788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.339788 (E_RNA)
where:
Base-Base interactions energy: -1365.829
where: short stacking energy: -524.217
Base-Backbone interact. energy: -0.151
local terms energy: -554.360106
where:
bonds (distance) C4'-P energy: -104.465
bonds (distance) P-C4' energy: -107.609
flat angles C4'-P-C4' energy: -116.054
flat angles P-C4'-P energy: -75.903
tors. eta vs tors. theta energy: -150.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1807.448580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.448580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.448580 (E_RNA)
where:
Base-Base interactions energy: -1287.119
where: short stacking energy: -516.365
Base-Backbone interact. energy: -3.413
local terms energy: -516.917386
where:
bonds (distance) C4'-P energy: -90.205
bonds (distance) P-C4' energy: -100.807
flat angles C4'-P-C4' energy: -107.019
flat angles P-C4'-P energy: -74.498
tors. eta vs tors. theta energy: -144.388
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: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1703.556963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.556963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.556963 (E_RNA)
where:
Base-Base interactions energy: -1228.483
where: short stacking energy: -504.767
Base-Backbone interact. energy: -1.839
local terms energy: -473.235193
where:
bonds (distance) C4'-P energy: -85.890
bonds (distance) P-C4' energy: -85.165
flat angles C4'-P-C4' energy: -107.953
flat angles P-C4'-P energy: -66.749
tors. eta vs tors. theta energy: -127.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1618.174259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.174259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.174259 (E_RNA)
where:
Base-Base interactions energy: -1120.795
where: short stacking energy: -489.514
Base-Backbone interact. energy: 2.137
local terms energy: -499.516072
where:
bonds (distance) C4'-P energy: -92.812
bonds (distance) P-C4' energy: -106.816
flat angles C4'-P-C4' energy: -98.046
flat angles P-C4'-P energy: -76.829
tors. eta vs tors. theta energy: -125.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1578.015769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.015769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.015769 (E_RNA)
where:
Base-Base interactions energy: -1111.002
where: short stacking energy: -467.384
Base-Backbone interact. energy: -3.605
local terms energy: -463.408895
where:
bonds (distance) C4'-P energy: -80.049
bonds (distance) P-C4' energy: -105.001
flat angles C4'-P-C4' energy: -106.684
flat angles P-C4'-P energy: -57.187
tors. eta vs tors. theta energy: -114.487
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: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1478.291290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.291290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.291290 (E_RNA)
where:
Base-Base interactions energy: -989.805
where: short stacking energy: -438.088
Base-Backbone interact. energy: -1.882
local terms energy: -486.604698
where:
bonds (distance) C4'-P energy: -104.527
bonds (distance) P-C4' energy: -103.938
flat angles C4'-P-C4' energy: -101.823
flat angles P-C4'-P energy: -61.915
tors. eta vs tors. theta energy: -114.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1297.839022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.839022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.839022 (E_RNA)
where:
Base-Base interactions energy: -880.556
where: short stacking energy: -364.686
Base-Backbone interact. energy: -0.489
local terms energy: -416.794241
where:
bonds (distance) C4'-P energy: -76.400
bonds (distance) P-C4' energy: -84.766
flat angles C4'-P-C4' energy: -106.412
flat angles P-C4'-P energy: -62.733
tors. eta vs tors. theta energy: -86.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1084.106002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.106002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.106002 (E_RNA)
where:
Base-Base interactions energy: -698.669
where: short stacking energy: -304.836
Base-Backbone interact. energy: -2.750
local terms energy: -382.686284
where:
bonds (distance) C4'-P energy: -89.637
bonds (distance) P-C4' energy: -106.100
flat angles C4'-P-C4' energy: -94.171
flat angles P-C4'-P energy: -30.036
tors. eta vs tors. theta energy: -62.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -710.449447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.449447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.449447 (E_RNA)
where:
Base-Base interactions energy: -425.084
where: short stacking energy: -200.154
Base-Backbone interact. energy: -1.272
local terms energy: -284.093302
where:
bonds (distance) C4'-P energy: -66.886
bonds (distance) P-C4' energy: -83.743
flat angles C4'-P-C4' energy: -70.049
flat angles P-C4'-P energy: -52.978
tors. eta vs tors. theta energy: -10.437
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: 142
Temperature: 1.350000
Total energy: -539.858722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.858722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.858722 (E_RNA)
where:
Base-Base interactions energy: -249.522
where: short stacking energy: -159.714
Base-Backbone interact. energy: -0.729
local terms energy: -289.607811
where:
bonds (distance) C4'-P energy: -82.339
bonds (distance) P-C4' energy: -88.155
flat angles C4'-P-C4' energy: -78.916
flat angles P-C4'-P energy: -38.020
tors. eta vs tors. theta energy: -2.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1918.470947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.470947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.470947 (E_RNA)
where:
Base-Base interactions energy: -1379.901
where: short stacking energy: -546.551
Base-Backbone interact. energy: -0.500
local terms energy: -538.069682
where:
bonds (distance) C4'-P energy: -98.247
bonds (distance) P-C4' energy: -106.051
flat angles C4'-P-C4' energy: -119.504
flat angles P-C4'-P energy: -69.590
tors. eta vs tors. theta energy: -144.677
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: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1823.110253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.110253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.110253 (E_RNA)
where:
Base-Base interactions energy: -1283.588
where: short stacking energy: -528.821
Base-Backbone interact. energy: -0.270
local terms energy: -539.252383
where:
bonds (distance) C4'-P energy: -106.473
bonds (distance) P-C4' energy: -94.900
flat angles C4'-P-C4' energy: -104.407
flat angles P-C4'-P energy: -83.047
tors. eta vs tors. theta energy: -150.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1733.180424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.180424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.180424 (E_RNA)
where:
Base-Base interactions energy: -1219.443
where: short stacking energy: -495.025
Base-Backbone interact. energy: 0.792
local terms energy: -514.529274
where:
bonds (distance) C4'-P energy: -90.839
bonds (distance) P-C4' energy: -97.974
flat angles C4'-P-C4' energy: -122.806
flat angles P-C4'-P energy: -72.819
tors. eta vs tors. theta energy: -130.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1639.385618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.385618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.385618 (E_RNA)
where:
Base-Base interactions energy: -1139.406
where: short stacking energy: -478.876
Base-Backbone interact. energy: 0.063
local terms energy: -500.043464
where:
bonds (distance) C4'-P energy: -95.958
bonds (distance) P-C4' energy: -103.407
flat angles C4'-P-C4' energy: -101.636
flat angles P-C4'-P energy: -80.922
tors. eta vs tors. theta energy: -118.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1572.287000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.287000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.287000 (E_RNA)
where:
Base-Base interactions energy: -1097.683
where: short stacking energy: -459.371
Base-Backbone interact. energy: -4.453
local terms energy: -470.150908
where:
bonds (distance) C4'-P energy: -89.337
bonds (distance) P-C4' energy: -91.823
flat angles C4'-P-C4' energy: -106.562
flat angles P-C4'-P energy: -73.056
tors. eta vs tors. theta energy: -109.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1448.289389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.289389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.289389 (E_RNA)
where:
Base-Base interactions energy: -1003.018
where: short stacking energy: -424.211
Base-Backbone interact. energy: 1.623
local terms energy: -446.894585
where:
bonds (distance) C4'-P energy: -91.092
bonds (distance) P-C4' energy: -99.060
flat angles C4'-P-C4' energy: -97.172
flat angles P-C4'-P energy: -58.664
tors. eta vs tors. theta energy: -100.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1301.299685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.299685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.299685 (E_RNA)
where:
Base-Base interactions energy: -900.073
where: short stacking energy: -382.375
Base-Backbone interact. energy: -2.551
local terms energy: -398.675853
where:
bonds (distance) C4'-P energy: -63.704
bonds (distance) P-C4' energy: -97.516
flat angles C4'-P-C4' energy: -93.488
flat angles P-C4'-P energy: -58.516
tors. eta vs tors. theta energy: -85.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1102.277677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.277677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.277677 (E_RNA)
where:
Base-Base interactions energy: -732.153
where: short stacking energy: -330.692
Base-Backbone interact. energy: -0.875
local terms energy: -369.250351
where:
bonds (distance) C4'-P energy: -80.146
bonds (distance) P-C4' energy: -84.124
flat angles C4'-P-C4' energy: -92.879
flat angles P-C4'-P energy: -44.091
tors. eta vs tors. theta energy: -68.010
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: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -781.525528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.525528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.525528 (E_RNA)
where:
Base-Base interactions energy: -442.350
where: short stacking energy: -220.482
Base-Backbone interact. energy: -1.411
local terms energy: -337.764914
where:
bonds (distance) C4'-P energy: -91.718
bonds (distance) P-C4' energy: -87.435
flat angles C4'-P-C4' energy: -78.316
flat angles P-C4'-P energy: -54.011
tors. eta vs tors. theta energy: -26.285
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: 143
Temperature: 1.350000
Total energy: -542.754221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.754221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.754221 (E_RNA)
where:
Base-Base interactions energy: -260.854
where: short stacking energy: -161.775
Base-Backbone interact. energy: -0.304
local terms energy: -281.596680
where:
bonds (distance) C4'-P energy: -78.188
bonds (distance) P-C4' energy: -87.003
flat angles C4'-P-C4' energy: -66.943
flat angles P-C4'-P energy: -34.668
tors. eta vs tors. theta energy: -14.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1893.787734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.787734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.787734 (E_RNA)
where:
Base-Base interactions energy: -1331.722
where: short stacking energy: -521.187
Base-Backbone interact. energy: -1.956
local terms energy: -560.109501
where:
bonds (distance) C4'-P energy: -106.275
bonds (distance) P-C4' energy: -105.710
flat angles C4'-P-C4' energy: -121.309
flat angles P-C4'-P energy: -85.661
tors. eta vs tors. theta energy: -141.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1806.719454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.719454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.719454 (E_RNA)
where:
Base-Base interactions energy: -1276.349
where: short stacking energy: -516.680
Base-Backbone interact. energy: 0.591
local terms energy: -530.961541
where:
bonds (distance) C4'-P energy: -98.773
bonds (distance) P-C4' energy: -103.946
flat angles C4'-P-C4' energy: -118.576
flat angles P-C4'-P energy: -76.702
tors. eta vs tors. theta energy: -132.965
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: 3, replica: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1742.175334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.175334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.175334 (E_RNA)
where:
Base-Base interactions energy: -1235.059
where: short stacking energy: -503.148
Base-Backbone interact. energy: 1.131
local terms energy: -508.247450
where:
bonds (distance) C4'-P energy: -100.008
bonds (distance) P-C4' energy: -86.802
flat angles C4'-P-C4' energy: -105.451
flat angles P-C4'-P energy: -82.479
tors. eta vs tors. theta energy: -133.506
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: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1658.236753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.236753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.236753 (E_RNA)
where:
Base-Base interactions energy: -1163.013
where: short stacking energy: -504.301
Base-Backbone interact. energy: -0.813
local terms energy: -494.410492
where:
bonds (distance) C4'-P energy: -84.887
bonds (distance) P-C4' energy: -94.740
flat angles C4'-P-C4' energy: -96.155
flat angles P-C4'-P energy: -74.652
tors. eta vs tors. theta energy: -143.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1573.975746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.975746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.975746 (E_RNA)
where:
Base-Base interactions energy: -1109.664
where: short stacking energy: -460.530
Base-Backbone interact. energy: -2.308
local terms energy: -462.003983
where:
bonds (distance) C4'-P energy: -93.444
bonds (distance) P-C4' energy: -83.459
flat angles C4'-P-C4' energy: -100.483
flat angles P-C4'-P energy: -58.046
tors. eta vs tors. theta energy: -126.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1520.347193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.347193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.347193 (E_RNA)
where:
Base-Base interactions energy: -1046.193
where: short stacking energy: -437.073
Base-Backbone interact. energy: -1.307
local terms energy: -472.847052
where:
bonds (distance) C4'-P energy: -86.110
bonds (distance) P-C4' energy: -90.897
flat angles C4'-P-C4' energy: -101.509
flat angles P-C4'-P energy: -74.565
tors. eta vs tors. theta energy: -119.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1319.831869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.831869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.831869 (E_RNA)
where:
Base-Base interactions energy: -900.054
where: short stacking energy: -381.679
Base-Backbone interact. energy: -1.506
local terms energy: -418.272269
where:
bonds (distance) C4'-P energy: -78.709
bonds (distance) P-C4' energy: -90.340
flat angles C4'-P-C4' energy: -85.479
flat angles P-C4'-P energy: -73.282
tors. eta vs tors. theta energy: -90.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1077.757170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.757170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.757170 (E_RNA)
where:
Base-Base interactions energy: -692.815
where: short stacking energy: -317.116
Base-Backbone interact. energy: -0.259
local terms energy: -384.682948
where:
bonds (distance) C4'-P energy: -80.473
bonds (distance) P-C4' energy: -95.470
flat angles C4'-P-C4' energy: -89.018
flat angles P-C4'-P energy: -59.297
tors. eta vs tors. theta energy: -60.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -766.191262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.191262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.191262 (E_RNA)
where:
Base-Base interactions energy: -468.934
where: short stacking energy: -213.125
Base-Backbone interact. energy: 0.538
local terms energy: -297.795916
where:
bonds (distance) C4'-P energy: -80.733
bonds (distance) P-C4' energy: -74.415
flat angles C4'-P-C4' energy: -77.290
flat angles P-C4'-P energy: -30.816
tors. eta vs tors. theta energy: -34.542
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: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -552.854150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.854150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.854150 (E_RNA)
where:
Base-Base interactions energy: -254.391
where: short stacking energy: -167.411
Base-Backbone interact. energy: 1.767
local terms energy: -300.230084
where:
bonds (distance) C4'-P energy: -95.084
bonds (distance) P-C4' energy: -96.832
flat angles C4'-P-C4' energy: -68.493
flat angles P-C4'-P energy: -45.213
tors. eta vs tors. theta energy: 5.393
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: 145
Temperature: 0.900000
Total energy: -1890.628107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.628107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.628107 (E_RNA)
where:
Base-Base interactions energy: -1335.864
where: short stacking energy: -551.176
Base-Backbone interact. energy: -2.194
local terms energy: -552.569627
where:
bonds (distance) C4'-P energy: -112.606
bonds (distance) P-C4' energy: -96.883
flat angles C4'-P-C4' energy: -114.815
flat angles P-C4'-P energy: -85.154
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: 2, replica: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1782.519691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.519691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.519691 (E_RNA)
where:
Base-Base interactions energy: -1253.610
where: short stacking energy: -509.468
Base-Backbone interact. energy: -0.214
local terms energy: -528.695845
where:
bonds (distance) C4'-P energy: -96.675
bonds (distance) P-C4' energy: -104.936
flat angles C4'-P-C4' energy: -117.061
flat angles P-C4'-P energy: -77.207
tors. eta vs tors. theta energy: -132.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1728.314913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.314913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.314913 (E_RNA)
where:
Base-Base interactions energy: -1203.380
where: short stacking energy: -509.846
Base-Backbone interact. energy: 1.760
local terms energy: -526.695453
where:
bonds (distance) C4'-P energy: -98.098
bonds (distance) P-C4' energy: -99.402
flat angles C4'-P-C4' energy: -119.747
flat angles P-C4'-P energy: -66.055
tors. eta vs tors. theta energy: -143.393
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: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1654.807385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.807385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.807385 (E_RNA)
where:
Base-Base interactions energy: -1129.893
where: short stacking energy: -486.367
Base-Backbone interact. energy: -2.403
local terms energy: -522.511772
where:
bonds (distance) C4'-P energy: -108.077
bonds (distance) P-C4' energy: -96.127
flat angles C4'-P-C4' energy: -115.211
flat angles P-C4'-P energy: -75.894
tors. eta vs tors. theta energy: -127.203
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: 145
Temperature: 1.100000
Total energy: -1603.913965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.913965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.913965 (E_RNA)
where:
Base-Base interactions energy: -1109.728
where: short stacking energy: -472.496
Base-Backbone interact. energy: -2.484
local terms energy: -491.701562
where:
bonds (distance) C4'-P energy: -89.632
bonds (distance) P-C4' energy: -87.772
flat angles C4'-P-C4' energy: -111.821
flat angles P-C4'-P energy: -72.669
tors. eta vs tors. theta energy: -129.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1413.876600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.876600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.876600 (E_RNA)
where:
Base-Base interactions energy: -984.908
where: short stacking energy: -398.532
Base-Backbone interact. energy: 3.246
local terms energy: -432.214044
where:
bonds (distance) C4'-P energy: -89.984
bonds (distance) P-C4' energy: -82.269
flat angles C4'-P-C4' energy: -99.469
flat angles P-C4'-P energy: -65.702
tors. eta vs tors. theta energy: -94.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1359.598894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.598894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.598894 (E_RNA)
where:
Base-Base interactions energy: -913.252
where: short stacking energy: -401.957
Base-Backbone interact. energy: 0.420
local terms energy: -446.767043
where:
bonds (distance) C4'-P energy: -98.649
bonds (distance) P-C4' energy: -86.072
flat angles C4'-P-C4' energy: -110.687
flat angles P-C4'-P energy: -59.164
tors. eta vs tors. theta energy: -92.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1093.674519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.674519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.674519 (E_RNA)
where:
Base-Base interactions energy: -709.469
where: short stacking energy: -328.580
Base-Backbone interact. energy: -1.036
local terms energy: -383.168929
where:
bonds (distance) C4'-P energy: -76.926
bonds (distance) P-C4' energy: -89.032
flat angles C4'-P-C4' energy: -82.747
flat angles P-C4'-P energy: -69.591
tors. eta vs tors. theta energy: -64.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -737.514276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.514276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.514276 (E_RNA)
where:
Base-Base interactions energy: -439.466
where: short stacking energy: -222.822
Base-Backbone interact. energy: -0.184
local terms energy: -297.864301
where:
bonds (distance) C4'-P energy: -68.383
bonds (distance) P-C4' energy: -96.005
flat angles C4'-P-C4' energy: -73.305
flat angles P-C4'-P energy: -52.147
tors. eta vs tors. theta energy: -8.026
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: 145
Temperature: 1.350000
Total energy: -547.009388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.009388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.009388 (E_RNA)
where:
Base-Base interactions energy: -265.640
where: short stacking energy: -162.007
Base-Backbone interact. energy: 3.058
local terms energy: -284.428117
where:
bonds (distance) C4'-P energy: -84.723
bonds (distance) P-C4' energy: -79.787
flat angles C4'-P-C4' energy: -74.765
flat angles P-C4'-P energy: -34.286
tors. eta vs tors. theta energy: -10.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1912.030905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.030905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.030905 (E_RNA)
where:
Base-Base interactions energy: -1349.999
where: short stacking energy: -552.768
Base-Backbone interact. energy: 0.662
local terms energy: -562.693669
where:
bonds (distance) C4'-P energy: -108.368
bonds (distance) P-C4' energy: -121.290
flat angles C4'-P-C4' energy: -110.217
flat angles P-C4'-P energy: -80.457
tors. eta vs tors. theta energy: -142.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1769.960544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.960544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.960544 (E_RNA)
where:
Base-Base interactions energy: -1225.806
where: short stacking energy: -492.014
Base-Backbone interact. energy: -5.269
local terms energy: -538.885407
where:
bonds (distance) C4'-P energy: -106.890
bonds (distance) P-C4' energy: -82.400
flat angles C4'-P-C4' energy: -123.403
flat angles P-C4'-P energy: -89.779
tors. eta vs tors. theta energy: -136.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1704.920167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.920167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.920167 (E_RNA)
where:
Base-Base interactions energy: -1197.772
where: short stacking energy: -495.934
Base-Backbone interact. energy: -1.186
local terms energy: -505.961782
where:
bonds (distance) C4'-P energy: -87.165
bonds (distance) P-C4' energy: -100.160
flat angles C4'-P-C4' energy: -119.527
flat angles P-C4'-P energy: -71.259
tors. eta vs tors. theta energy: -127.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1651.489308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.489308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.489308 (E_RNA)
where:
Base-Base interactions energy: -1152.651
where: short stacking energy: -481.752
Base-Backbone interact. energy: 2.847
local terms energy: -501.685415
where:
bonds (distance) C4'-P energy: -79.292
bonds (distance) P-C4' energy: -111.066
flat angles C4'-P-C4' energy: -118.221
flat angles P-C4'-P energy: -74.554
tors. eta vs tors. theta energy: -118.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1584.754946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.754946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.754946 (E_RNA)
where:
Base-Base interactions energy: -1091.997
where: short stacking energy: -443.632
Base-Backbone interact. energy: -3.778
local terms energy: -488.980506
where:
bonds (distance) C4'-P energy: -92.771
bonds (distance) P-C4' energy: -94.943
flat angles C4'-P-C4' energy: -104.606
flat angles P-C4'-P energy: -76.526
tors. eta vs tors. theta energy: -120.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1452.081012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.081012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.081012 (E_RNA)
where:
Base-Base interactions energy: -997.659
where: short stacking energy: -410.740
Base-Backbone interact. energy: -0.922
local terms energy: -453.500133
where:
bonds (distance) C4'-P energy: -83.829
bonds (distance) P-C4' energy: -89.443
flat angles C4'-P-C4' energy: -114.048
flat angles P-C4'-P energy: -56.160
tors. eta vs tors. theta energy: -110.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1373.096309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.096309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.096309 (E_RNA)
where:
Base-Base interactions energy: -946.701
where: short stacking energy: -400.671
Base-Backbone interact. energy: -0.035
local terms energy: -426.360351
where:
bonds (distance) C4'-P energy: -74.704
bonds (distance) P-C4' energy: -97.380
flat angles C4'-P-C4' energy: -94.435
flat angles P-C4'-P energy: -57.870
tors. eta vs tors. theta energy: -101.971
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: 7
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1115.251408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.251408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.251408 (E_RNA)
where:
Base-Base interactions energy: -741.732
where: short stacking energy: -333.797
Base-Backbone interact. energy: 4.552
local terms energy: -378.071169
where:
bonds (distance) C4'-P energy: -76.469
bonds (distance) P-C4' energy: -84.666
flat angles C4'-P-C4' energy: -99.331
flat angles P-C4'-P energy: -60.402
tors. eta vs tors. theta energy: -57.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -737.451952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.451952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.451952 (E_RNA)
where:
Base-Base interactions energy: -415.075
where: short stacking energy: -207.720
Base-Backbone interact. energy: -0.252
local terms energy: -322.124796
where:
bonds (distance) C4'-P energy: -80.026
bonds (distance) P-C4' energy: -92.382
flat angles C4'-P-C4' energy: -82.150
flat angles P-C4'-P energy: -51.763
tors. eta vs tors. theta energy: -15.804
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: 146
Temperature: 1.350000
Total energy: -538.994574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.994574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.994574 (E_RNA)
where:
Base-Base interactions energy: -239.020
where: short stacking energy: -146.217
Base-Backbone interact. energy: -0.101
local terms energy: -299.874159
where:
bonds (distance) C4'-P energy: -93.918
bonds (distance) P-C4' energy: -96.915
flat angles C4'-P-C4' energy: -64.007
flat angles P-C4'-P energy: -50.356
tors. eta vs tors. theta energy: 5.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1901.857170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.857170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.857170 (E_RNA)
where:
Base-Base interactions energy: -1361.685
where: short stacking energy: -522.764
Base-Backbone interact. energy: -1.910
local terms energy: -538.262569
where:
bonds (distance) C4'-P energy: -102.775
bonds (distance) P-C4' energy: -95.117
flat angles C4'-P-C4' energy: -116.977
flat angles P-C4'-P energy: -78.353
tors. eta vs tors. theta energy: -145.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1811.808721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.808721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.808721 (E_RNA)
where:
Base-Base interactions energy: -1296.102
where: short stacking energy: -520.321
Base-Backbone interact. energy: 1.410
local terms energy: -517.116447
where:
bonds (distance) C4'-P energy: -100.685
bonds (distance) P-C4' energy: -94.295
flat angles C4'-P-C4' energy: -102.163
flat angles P-C4'-P energy: -74.633
tors. eta vs tors. theta energy: -145.342
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: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1682.374827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.374827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.374827 (E_RNA)
where:
Base-Base interactions energy: -1173.375
where: short stacking energy: -498.669
Base-Backbone interact. energy: -1.770
local terms energy: -507.230331
where:
bonds (distance) C4'-P energy: -90.459
bonds (distance) P-C4' energy: -104.764
flat angles C4'-P-C4' energy: -107.131
flat angles P-C4'-P energy: -70.128
tors. eta vs tors. theta energy: -134.749
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: 4, replica: 3
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1627.053857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.053857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.053857 (E_RNA)
where:
Base-Base interactions energy: -1141.935
where: short stacking energy: -477.616
Base-Backbone interact. energy: -0.481
local terms energy: -484.637575
where:
bonds (distance) C4'-P energy: -77.221
bonds (distance) P-C4' energy: -99.466
flat angles C4'-P-C4' energy: -109.404
flat angles P-C4'-P energy: -69.081
tors. eta vs tors. theta energy: -129.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1614.284262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.284262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.284262 (E_RNA)
where:
Base-Base interactions energy: -1143.126
where: short stacking energy: -471.198
Base-Backbone interact. energy: -1.695
local terms energy: -469.463392
where:
bonds (distance) C4'-P energy: -80.662
bonds (distance) P-C4' energy: -85.125
flat angles C4'-P-C4' energy: -109.629
flat angles P-C4'-P energy: -68.982
tors. eta vs tors. theta energy: -125.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1432.988042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.988042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.988042 (E_RNA)
where:
Base-Base interactions energy: -971.660
where: short stacking energy: -412.846
Base-Backbone interact. energy: -0.639
local terms energy: -460.689258
where:
bonds (distance) C4'-P energy: -106.139
bonds (distance) P-C4' energy: -91.845
flat angles C4'-P-C4' energy: -95.248
flat angles P-C4'-P energy: -68.178
tors. eta vs tors. theta energy: -99.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1344.478142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.478142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.478142 (E_RNA)
where:
Base-Base interactions energy: -925.957
where: short stacking energy: -402.108
Base-Backbone interact. energy: -3.470
local terms energy: -415.051198
where:
bonds (distance) C4'-P energy: -77.092
bonds (distance) P-C4' energy: -89.671
flat angles C4'-P-C4' energy: -107.621
flat angles P-C4'-P energy: -41.226
tors. eta vs tors. theta energy: -99.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1062.021468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.021468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.021468 (E_RNA)
where:
Base-Base interactions energy: -665.021
where: short stacking energy: -325.242
Base-Backbone interact. energy: -0.127
local terms energy: -396.873310
where:
bonds (distance) C4'-P energy: -88.112
bonds (distance) P-C4' energy: -94.033
flat angles C4'-P-C4' energy: -82.539
flat angles P-C4'-P energy: -62.113
tors. eta vs tors. theta energy: -70.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -759.129516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.129516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.129516 (E_RNA)
where:
Base-Base interactions energy: -460.122
where: short stacking energy: -226.886
Base-Backbone interact. energy: 4.451
local terms energy: -303.459181
where:
bonds (distance) C4'-P energy: -72.060
bonds (distance) P-C4' energy: -78.905
flat angles C4'-P-C4' energy: -86.581
flat angles P-C4'-P energy: -45.459
tors. eta vs tors. theta energy: -20.455
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: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -505.989700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.989700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.989700 (E_RNA)
where:
Base-Base interactions energy: -226.470
where: short stacking energy: -136.750
Base-Backbone interact. energy: -1.517
local terms energy: -278.002034
where:
bonds (distance) C4'-P energy: -65.552
bonds (distance) P-C4' energy: -101.905
flat angles C4'-P-C4' energy: -72.882
flat angles P-C4'-P energy: -46.743
tors. eta vs tors. theta energy: 9.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1924.197813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.197813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.197813 (E_RNA)
where:
Base-Base interactions energy: -1370.043
where: short stacking energy: -568.972
Base-Backbone interact. energy: 1.231
local terms energy: -555.385655
where:
bonds (distance) C4'-P energy: -102.612
bonds (distance) P-C4' energy: -101.351
flat angles C4'-P-C4' energy: -123.577
flat angles P-C4'-P energy: -80.269
tors. eta vs tors. theta energy: -147.577
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: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1800.357336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.357336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.357336 (E_RNA)
where:
Base-Base interactions energy: -1281.737
where: short stacking energy: -504.561
Base-Backbone interact. energy: 3.475
local terms energy: -522.094743
where:
bonds (distance) C4'-P energy: -95.324
bonds (distance) P-C4' energy: -101.516
flat angles C4'-P-C4' energy: -114.701
flat angles P-C4'-P energy: -72.409
tors. eta vs tors. theta energy: -138.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1673.623049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.623049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.623049 (E_RNA)
where:
Base-Base interactions energy: -1161.144
where: short stacking energy: -496.266
Base-Backbone interact. energy: -1.583
local terms energy: -510.896681
where:
bonds (distance) C4'-P energy: -98.454
bonds (distance) P-C4' energy: -103.328
flat angles C4'-P-C4' energy: -108.573
flat angles P-C4'-P energy: -81.064
tors. eta vs tors. theta energy: -119.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1681.593525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.593525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.593525 (E_RNA)
where:
Base-Base interactions energy: -1154.404
where: short stacking energy: -480.284
Base-Backbone interact. energy: -0.995
local terms energy: -526.194432
where:
bonds (distance) C4'-P energy: -97.848
bonds (distance) P-C4' energy: -101.870
flat angles C4'-P-C4' energy: -112.403
flat angles P-C4'-P energy: -75.542
tors. eta vs tors. theta energy: -138.532
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: 5, replica: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1611.784677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.784677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.784677 (E_RNA)
where:
Base-Base interactions energy: -1140.055
where: short stacking energy: -445.489
Base-Backbone interact. energy: -0.982
local terms energy: -470.747169
where:
bonds (distance) C4'-P energy: -77.222
bonds (distance) P-C4' energy: -97.574
flat angles C4'-P-C4' energy: -98.977
flat angles P-C4'-P energy: -72.811
tors. eta vs tors. theta energy: -124.163
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: 6
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1437.948175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.948175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.948175 (E_RNA)
where:
Base-Base interactions energy: -1029.352
where: short stacking energy: -415.062
Base-Backbone interact. energy: -1.958
local terms energy: -406.639019
where:
bonds (distance) C4'-P energy: -75.244
bonds (distance) P-C4' energy: -92.811
flat angles C4'-P-C4' energy: -91.435
flat angles P-C4'-P energy: -44.672
tors. eta vs tors. theta energy: -102.478
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: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1321.137268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.137268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.137268 (E_RNA)
where:
Base-Base interactions energy: -924.889
where: short stacking energy: -397.240
Base-Backbone interact. energy: -0.136
local terms energy: -396.111649
where:
bonds (distance) C4'-P energy: -72.982
bonds (distance) P-C4' energy: -91.369
flat angles C4'-P-C4' energy: -89.555
flat angles P-C4'-P energy: -43.124
tors. eta vs tors. theta energy: -99.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1088.339232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.339232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.339232 (E_RNA)
where:
Base-Base interactions energy: -710.153
where: short stacking energy: -292.151
Base-Backbone interact. energy: -1.319
local terms energy: -376.867816
where:
bonds (distance) C4'-P energy: -88.526
bonds (distance) P-C4' energy: -77.701
flat angles C4'-P-C4' energy: -88.836
flat angles P-C4'-P energy: -61.566
tors. eta vs tors. theta energy: -60.239
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: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -811.483356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.483356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.483356 (E_RNA)
where:
Base-Base interactions energy: -470.933
where: short stacking energy: -229.786
Base-Backbone interact. energy: -0.929
local terms energy: -339.620718
where:
bonds (distance) C4'-P energy: -92.394
bonds (distance) P-C4' energy: -86.033
flat angles C4'-P-C4' energy: -71.692
flat angles P-C4'-P energy: -52.975
tors. eta vs tors. theta energy: -36.528
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: 10, replica: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -500.690151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.690151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.690151 (E_RNA)
where:
Base-Base interactions energy: -230.763
where: short stacking energy: -145.065
Base-Backbone interact. energy: 4.425
local terms energy: -274.352832
where:
bonds (distance) C4'-P energy: -75.237
bonds (distance) P-C4' energy: -85.017
flat angles C4'-P-C4' energy: -74.073
flat angles P-C4'-P energy: -39.225
tors. eta vs tors. theta energy: -0.801
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: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1902.276904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.276904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.276904 (E_RNA)
where:
Base-Base interactions energy: -1344.185
where: short stacking energy: -526.051
Base-Backbone interact. energy: -5.340
local terms energy: -552.752076
where:
bonds (distance) C4'-P energy: -105.520
bonds (distance) P-C4' energy: -110.823
flat angles C4'-P-C4' energy: -127.364
flat angles P-C4'-P energy: -61.982
tors. eta vs tors. theta energy: -147.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1777.617396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.617396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.617396 (E_RNA)
where:
Base-Base interactions energy: -1250.902
where: short stacking energy: -514.380
Base-Backbone interact. energy: 0.598
local terms energy: -527.313499
where:
bonds (distance) C4'-P energy: -96.545
bonds (distance) P-C4' energy: -106.407
flat angles C4'-P-C4' energy: -108.275
flat angles P-C4'-P energy: -82.979
tors. eta vs tors. theta energy: -133.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1688.228579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.228579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.228579 (E_RNA)
where:
Base-Base interactions energy: -1177.162
where: short stacking energy: -493.213
Base-Backbone interact. energy: -2.672
local terms energy: -508.394827
where:
bonds (distance) C4'-P energy: -84.876
bonds (distance) P-C4' energy: -103.935
flat angles C4'-P-C4' energy: -114.037
flat angles P-C4'-P energy: -75.095
tors. eta vs tors. theta energy: -130.453
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: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1686.404641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.404641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.404641 (E_RNA)
where:
Base-Base interactions energy: -1181.059
where: short stacking energy: -439.607
Base-Backbone interact. energy: -3.889
local terms energy: -501.456569
where:
bonds (distance) C4'-P energy: -101.830
bonds (distance) P-C4' energy: -98.065
flat angles C4'-P-C4' energy: -105.332
flat angles P-C4'-P energy: -78.206
tors. eta vs tors. theta energy: -118.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1579.366558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.366558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.366558 (E_RNA)
where:
Base-Base interactions energy: -1083.658
where: short stacking energy: -469.167
Base-Backbone interact. energy: -0.400
local terms energy: -495.308176
where:
bonds (distance) C4'-P energy: -81.510
bonds (distance) P-C4' energy: -93.652
flat angles C4'-P-C4' energy: -114.214
flat angles P-C4'-P energy: -77.667
tors. eta vs tors. theta energy: -128.266
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: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1389.856607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.856607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.856607 (E_RNA)
where:
Base-Base interactions energy: -967.428
where: short stacking energy: -412.402
Base-Backbone interact. energy: 0.825
local terms energy: -423.253496
where:
bonds (distance) C4'-P energy: -75.085
bonds (distance) P-C4' energy: -86.703
flat angles C4'-P-C4' energy: -100.509
flat angles P-C4'-P energy: -67.712
tors. eta vs tors. theta energy: -93.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1391.089473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.089473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.089473 (E_RNA)
where:
Base-Base interactions energy: -964.091
where: short stacking energy: -398.546
Base-Backbone interact. energy: 0.626
local terms energy: -427.624842
where:
bonds (distance) C4'-P energy: -84.625
bonds (distance) P-C4' energy: -98.748
flat angles C4'-P-C4' energy: -92.425
flat angles P-C4'-P energy: -60.278
tors. eta vs tors. theta energy: -91.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1063.924261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.924261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.924261 (E_RNA)
where:
Base-Base interactions energy: -701.793
where: short stacking energy: -314.391
Base-Backbone interact. energy: 1.509
local terms energy: -363.640186
where:
bonds (distance) C4'-P energy: -88.693
bonds (distance) P-C4' energy: -86.720
flat angles C4'-P-C4' energy: -94.229
flat angles P-C4'-P energy: -45.466
tors. eta vs tors. theta energy: -48.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -746.066344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.066344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.066344 (E_RNA)
where:
Base-Base interactions energy: -457.407
where: short stacking energy: -219.007
Base-Backbone interact. energy: -1.689
local terms energy: -286.970212
where:
bonds (distance) C4'-P energy: -59.234
bonds (distance) P-C4' energy: -78.653
flat angles C4'-P-C4' energy: -89.133
flat angles P-C4'-P energy: -49.851
tors. eta vs tors. theta energy: -10.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -543.224674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.224674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.224674 (E_RNA)
where:
Base-Base interactions energy: -261.483
where: short stacking energy: -179.130
Base-Backbone interact. energy: 0.067
local terms energy: -281.808422
where:
bonds (distance) C4'-P energy: -77.943
bonds (distance) P-C4' energy: -88.086
flat angles C4'-P-C4' energy: -79.471
flat angles P-C4'-P energy: -36.998
tors. eta vs tors. theta energy: 0.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1896.384753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.384753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.384753 (E_RNA)
where:
Base-Base interactions energy: -1341.809
where: short stacking energy: -519.442
Base-Backbone interact. energy: -2.632
local terms energy: -551.942999
where:
bonds (distance) C4'-P energy: -100.917
bonds (distance) P-C4' energy: -97.616
flat angles C4'-P-C4' energy: -125.659
flat angles P-C4'-P energy: -90.219
tors. eta vs tors. theta energy: -137.532
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: 4
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1791.891100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.891100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.891100 (E_RNA)
where:
Base-Base interactions energy: -1246.063
where: short stacking energy: -515.192
Base-Backbone interact. energy: -2.488
local terms energy: -543.339898
where:
bonds (distance) C4'-P energy: -92.019
bonds (distance) P-C4' energy: -111.647
flat angles C4'-P-C4' energy: -120.025
flat angles P-C4'-P energy: -78.154
tors. eta vs tors. theta energy: -141.496
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: 150
Temperature: 1.000000
Total energy: -1695.767051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.767051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.767051 (E_RNA)
where:
Base-Base interactions energy: -1180.060
where: short stacking energy: -503.645
Base-Backbone interact. energy: -1.635
local terms energy: -514.071283
where:
bonds (distance) C4'-P energy: -95.094
bonds (distance) P-C4' energy: -94.532
flat angles C4'-P-C4' energy: -104.650
flat angles P-C4'-P energy: -75.702
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: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1695.111673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.111673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.111673 (E_RNA)
where:
Base-Base interactions energy: -1186.947
where: short stacking energy: -480.470
Base-Backbone interact. energy: -1.788
local terms energy: -506.376839
where:
bonds (distance) C4'-P energy: -102.157
bonds (distance) P-C4' energy: -95.463
flat angles C4'-P-C4' energy: -112.184
flat angles P-C4'-P energy: -67.461
tors. eta vs tors. theta energy: -129.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1588.974691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.974691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.974691 (E_RNA)
where:
Base-Base interactions energy: -1084.311
where: short stacking energy: -455.120
Base-Backbone interact. energy: 1.032
local terms energy: -505.695736
where:
bonds (distance) C4'-P energy: -88.529
bonds (distance) P-C4' energy: -97.713
flat angles C4'-P-C4' energy: -107.762
flat angles P-C4'-P energy: -80.278
tors. eta vs tors. theta energy: -131.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1385.138180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.138180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.138180 (E_RNA)
where:
Base-Base interactions energy: -927.564
where: short stacking energy: -411.346
Base-Backbone interact. energy: -2.092
local terms energy: -455.482425
where:
bonds (distance) C4'-P energy: -97.489
bonds (distance) P-C4' energy: -96.623
flat angles C4'-P-C4' energy: -99.986
flat angles P-C4'-P energy: -70.229
tors. eta vs tors. theta energy: -91.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1399.783491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.783491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.783491 (E_RNA)
where:
Base-Base interactions energy: -955.121
where: short stacking energy: -387.107
Base-Backbone interact. energy: -2.082
local terms energy: -442.580501
where:
bonds (distance) C4'-P energy: -92.993
bonds (distance) P-C4' energy: -85.526
flat angles C4'-P-C4' energy: -93.826
flat angles P-C4'-P energy: -69.553
tors. eta vs tors. theta energy: -100.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1078.921617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.921617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.921617 (E_RNA)
where:
Base-Base interactions energy: -689.890
where: short stacking energy: -317.403
Base-Backbone interact. energy: -1.049
local terms energy: -387.983098
where:
bonds (distance) C4'-P energy: -93.376
bonds (distance) P-C4' energy: -94.561
flat angles C4'-P-C4' energy: -85.463
flat angles P-C4'-P energy: -56.704
tors. eta vs tors. theta energy: -57.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -770.835451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.835451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.835451 (E_RNA)
where:
Base-Base interactions energy: -453.790
where: short stacking energy: -239.187
Base-Backbone interact. energy: 0.088
local terms energy: -317.133708
where:
bonds (distance) C4'-P energy: -74.432
bonds (distance) P-C4' energy: -94.542
flat angles C4'-P-C4' energy: -70.971
flat angles P-C4'-P energy: -55.313
tors. eta vs tors. theta energy: -21.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -525.664403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.664403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.664403 (E_RNA)
where:
Base-Base interactions energy: -229.811
where: short stacking energy: -141.769
Base-Backbone interact. energy: -0.164
local terms energy: -295.688728
where:
bonds (distance) C4'-P energy: -81.473
bonds (distance) P-C4' energy: -95.376
flat angles C4'-P-C4' energy: -77.100
flat angles P-C4'-P energy: -45.110
tors. eta vs tors. theta energy: 3.370
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: 151
Temperature: 0.900000
Total energy: -1907.426629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.426629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.426629 (E_RNA)
where:
Base-Base interactions energy: -1368.239
where: short stacking energy: -547.253
Base-Backbone interact. energy: -2.094
local terms energy: -537.093012
where:
bonds (distance) C4'-P energy: -100.969
bonds (distance) P-C4' energy: -96.988
flat angles C4'-P-C4' energy: -116.596
flat angles P-C4'-P energy: -73.808
tors. eta vs tors. theta energy: -148.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1816.089722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.089722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.089722 (E_RNA)
where:
Base-Base interactions energy: -1280.219
where: short stacking energy: -520.207
Base-Backbone interact. energy: 2.823
local terms energy: -538.693926
where:
bonds (distance) C4'-P energy: -95.220
bonds (distance) P-C4' energy: -99.476
flat angles C4'-P-C4' energy: -120.752
flat angles P-C4'-P energy: -80.320
tors. eta vs tors. theta energy: -142.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1674.360283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.360283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.360283 (E_RNA)
where:
Base-Base interactions energy: -1183.434
where: short stacking energy: -497.202
Base-Backbone interact. energy: 2.059
local terms energy: -492.985045
where:
bonds (distance) C4'-P energy: -89.302
bonds (distance) P-C4' energy: -91.265
flat angles C4'-P-C4' energy: -113.464
flat angles P-C4'-P energy: -69.115
tors. eta vs tors. theta energy: -129.839
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: 4, replica: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1691.356664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.356664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.356664 (E_RNA)
where:
Base-Base interactions energy: -1203.788
where: short stacking energy: -468.244
Base-Backbone interact. energy: 3.943
local terms energy: -491.511829
where:
bonds (distance) C4'-P energy: -77.114
bonds (distance) P-C4' energy: -104.321
flat angles C4'-P-C4' energy: -104.998
flat angles P-C4'-P energy: -71.671
tors. eta vs tors. theta energy: -133.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1579.395141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.395141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.395141 (E_RNA)
where:
Base-Base interactions energy: -1073.056
where: short stacking energy: -475.768
Base-Backbone interact. energy: -1.492
local terms energy: -504.847571
where:
bonds (distance) C4'-P energy: -98.519
bonds (distance) P-C4' energy: -116.541
flat angles C4'-P-C4' energy: -92.347
flat angles P-C4'-P energy: -69.173
tors. eta vs tors. theta energy: -128.267
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: 6
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1448.111813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.111813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.111813 (E_RNA)
where:
Base-Base interactions energy: -997.163
where: short stacking energy: -403.190
Base-Backbone interact. energy: -1.129
local terms energy: -449.820271
where:
bonds (distance) C4'-P energy: -91.927
bonds (distance) P-C4' energy: -103.082
flat angles C4'-P-C4' energy: -88.592
flat angles P-C4'-P energy: -69.312
tors. eta vs tors. theta energy: -96.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1307.726639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.726639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.726639 (E_RNA)
where:
Base-Base interactions energy: -878.640
where: short stacking energy: -383.231
Base-Backbone interact. energy: -2.080
local terms energy: -427.006270
where:
bonds (distance) C4'-P energy: -85.182
bonds (distance) P-C4' energy: -85.539
flat angles C4'-P-C4' energy: -98.351
flat angles P-C4'-P energy: -68.622
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: 8, replica: 7
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1043.085121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.085121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.085121 (E_RNA)
where:
Base-Base interactions energy: -669.734
where: short stacking energy: -294.111
Base-Backbone interact. energy: -2.010
local terms energy: -371.340952
where:
bonds (distance) C4'-P energy: -81.058
bonds (distance) P-C4' energy: -92.376
flat angles C4'-P-C4' energy: -83.286
flat angles P-C4'-P energy: -56.447
tors. eta vs tors. theta energy: -58.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -759.389090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.389090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.389090 (E_RNA)
where:
Base-Base interactions energy: -435.268
where: short stacking energy: -214.403
Base-Backbone interact. energy: -1.559
local terms energy: -322.561684
where:
bonds (distance) C4'-P energy: -74.638
bonds (distance) P-C4' energy: -107.226
flat angles C4'-P-C4' energy: -68.844
flat angles P-C4'-P energy: -51.365
tors. eta vs tors. theta energy: -20.489
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: 151
Temperature: 1.350000
Total energy: -557.035015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.035015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.035015 (E_RNA)
where:
Base-Base interactions energy: -275.251
where: short stacking energy: -149.881
Base-Backbone interact. energy: 1.845
local terms energy: -283.628864
where:
bonds (distance) C4'-P energy: -85.610
bonds (distance) P-C4' energy: -92.889
flat angles C4'-P-C4' energy: -77.202
flat angles P-C4'-P energy: -41.389
tors. eta vs tors. theta energy: 13.460
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: 152
Temperature: 0.900000
Total energy: -1892.248826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.248826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.248826 (E_RNA)
where:
Base-Base interactions energy: -1333.224
where: short stacking energy: -520.187
Base-Backbone interact. energy: -4.138
local terms energy: -554.887073
where:
bonds (distance) C4'-P energy: -100.583
bonds (distance) P-C4' energy: -112.366
flat angles C4'-P-C4' energy: -112.265
flat angles P-C4'-P energy: -86.919
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: 152
Temperature: 0.950000
Total energy: -1810.525890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.525890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.525890 (E_RNA)
where:
Base-Base interactions energy: -1267.667
where: short stacking energy: -519.592
Base-Backbone interact. energy: -2.566
local terms energy: -540.292753
where:
bonds (distance) C4'-P energy: -97.370
bonds (distance) P-C4' energy: -99.105
flat angles C4'-P-C4' energy: -116.605
flat angles P-C4'-P energy: -81.254
tors. eta vs tors. theta energy: -145.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1722.636774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.636774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.636774 (E_RNA)
where:
Base-Base interactions energy: -1226.760
where: short stacking energy: -493.477
Base-Backbone interact. energy: -2.185
local terms energy: -493.691549
where:
bonds (distance) C4'-P energy: -73.894
bonds (distance) P-C4' energy: -96.788
flat angles C4'-P-C4' energy: -112.039
flat angles P-C4'-P energy: -76.580
tors. eta vs tors. theta energy: -134.391
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: 152
Temperature: 1.050000
Total energy: -1657.084494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.084494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.084494 (E_RNA)
where:
Base-Base interactions energy: -1127.602
where: short stacking energy: -464.289
Base-Backbone interact. energy: -2.349
local terms energy: -527.133248
where:
bonds (distance) C4'-P energy: -97.538
bonds (distance) P-C4' energy: -102.308
flat angles C4'-P-C4' energy: -118.265
flat angles P-C4'-P energy: -80.730
tors. eta vs tors. theta energy: -128.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1605.547897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.547897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.547897 (E_RNA)
where:
Base-Base interactions energy: -1098.745
where: short stacking energy: -474.991
Base-Backbone interact. energy: -2.485
local terms energy: -504.318385
where:
bonds (distance) C4'-P energy: -98.718
bonds (distance) P-C4' energy: -110.456
flat angles C4'-P-C4' energy: -96.543
flat angles P-C4'-P energy: -74.996
tors. eta vs tors. theta energy: -123.605
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: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1457.424998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.424998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.424998 (E_RNA)
where:
Base-Base interactions energy: -975.660
where: short stacking energy: -413.522
Base-Backbone interact. energy: -4.708
local terms energy: -477.057721
where:
bonds (distance) C4'-P energy: -106.577
bonds (distance) P-C4' energy: -89.996
flat angles C4'-P-C4' energy: -106.871
flat angles P-C4'-P energy: -71.155
tors. eta vs tors. theta energy: -102.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1421.095665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.095665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.095665 (E_RNA)
where:
Base-Base interactions energy: -965.495
where: short stacking energy: -387.483
Base-Backbone interact. energy: -2.034
local terms energy: -453.566474
where:
bonds (distance) C4'-P energy: -85.762
bonds (distance) P-C4' energy: -94.206
flat angles C4'-P-C4' energy: -100.784
flat angles P-C4'-P energy: -65.621
tors. eta vs tors. theta energy: -107.195
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: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1087.619325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.619325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.619325 (E_RNA)
where:
Base-Base interactions energy: -713.964
where: short stacking energy: -324.784
Base-Backbone interact. energy: -2.062
local terms energy: -371.593570
where:
bonds (distance) C4'-P energy: -63.721
bonds (distance) P-C4' energy: -94.700
flat angles C4'-P-C4' energy: -73.491
flat angles P-C4'-P energy: -62.409
tors. eta vs tors. theta energy: -77.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -710.039593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.039593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.039593 (E_RNA)
where:
Base-Base interactions energy: -390.171
where: short stacking energy: -214.302
Base-Backbone interact. energy: -3.085
local terms energy: -316.783470
where:
bonds (distance) C4'-P energy: -74.560
bonds (distance) P-C4' energy: -93.420
flat angles C4'-P-C4' energy: -89.681
flat angles P-C4'-P energy: -54.226
tors. eta vs tors. theta energy: -4.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -617.436198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.436198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.436198 (E_RNA)
where:
Base-Base interactions energy: -322.160
where: short stacking energy: -170.952
Base-Backbone interact. energy: -1.332
local terms energy: -293.943435
where:
bonds (distance) C4'-P energy: -81.661
bonds (distance) P-C4' energy: -92.140
flat angles C4'-P-C4' energy: -72.443
flat angles P-C4'-P energy: -40.492
tors. eta vs tors. theta energy: -7.208
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: 153
Temperature: 0.900000
Total energy: -1891.261011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.261011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.261011 (E_RNA)
where:
Base-Base interactions energy: -1352.603
where: short stacking energy: -537.533
Base-Backbone interact. energy: 0.021
local terms energy: -538.679037
where:
bonds (distance) C4'-P energy: -104.518
bonds (distance) P-C4' energy: -112.080
flat angles C4'-P-C4' energy: -115.656
flat angles P-C4'-P energy: -70.992
tors. eta vs tors. theta energy: -135.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1776.383419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.383419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.383419 (E_RNA)
where:
Base-Base interactions energy: -1254.960
where: short stacking energy: -498.230
Base-Backbone interact. energy: -3.100
local terms energy: -518.323429
where:
bonds (distance) C4'-P energy: -111.196
bonds (distance) P-C4' energy: -96.891
flat angles C4'-P-C4' energy: -113.612
flat angles P-C4'-P energy: -71.013
tors. eta vs tors. theta energy: -125.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1763.273109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.273109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.273109 (E_RNA)
where:
Base-Base interactions energy: -1269.506
where: short stacking energy: -515.563
Base-Backbone interact. energy: -1.741
local terms energy: -492.026656
where:
bonds (distance) C4'-P energy: -89.175
bonds (distance) P-C4' energy: -102.537
flat angles C4'-P-C4' energy: -99.118
flat angles P-C4'-P energy: -70.604
tors. eta vs tors. theta energy: -130.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1648.860676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.860676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.860676 (E_RNA)
where:
Base-Base interactions energy: -1130.420
where: short stacking energy: -489.429
Base-Backbone interact. energy: -2.524
local terms energy: -515.917330
where:
bonds (distance) C4'-P energy: -95.873
bonds (distance) P-C4' energy: -93.090
flat angles C4'-P-C4' energy: -112.344
flat angles P-C4'-P energy: -71.685
tors. eta vs tors. theta energy: -142.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1619.545964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.545964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.545964 (E_RNA)
where:
Base-Base interactions energy: -1146.839
where: short stacking energy: -497.568
Base-Backbone interact. energy: -0.687
local terms energy: -472.019692
where:
bonds (distance) C4'-P energy: -75.306
bonds (distance) P-C4' energy: -87.356
flat angles C4'-P-C4' energy: -110.873
flat angles P-C4'-P energy: -70.590
tors. eta vs tors. theta energy: -127.895
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: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1421.245993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.245993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.245993 (E_RNA)
where:
Base-Base interactions energy: -974.625
where: short stacking energy: -399.076
Base-Backbone interact. energy: -0.947
local terms energy: -445.674097
where:
bonds (distance) C4'-P energy: -83.412
bonds (distance) P-C4' energy: -82.836
flat angles C4'-P-C4' energy: -111.399
flat angles P-C4'-P energy: -67.812
tors. eta vs tors. theta energy: -100.215
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: 6
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1417.889861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.889861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.889861 (E_RNA)
where:
Base-Base interactions energy: -968.467
where: short stacking energy: -406.251
Base-Backbone interact. energy: 3.014
local terms energy: -452.436856
where:
bonds (distance) C4'-P energy: -87.524
bonds (distance) P-C4' energy: -95.662
flat angles C4'-P-C4' energy: -102.720
flat angles P-C4'-P energy: -65.649
tors. eta vs tors. theta energy: -100.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1065.202136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.202136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.202136 (E_RNA)
where:
Base-Base interactions energy: -690.011
where: short stacking energy: -290.996
Base-Backbone interact. energy: -1.270
local terms energy: -373.921093
where:
bonds (distance) C4'-P energy: -88.694
bonds (distance) P-C4' energy: -94.133
flat angles C4'-P-C4' energy: -92.471
flat angles P-C4'-P energy: -42.963
tors. eta vs tors. theta energy: -55.660
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: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -720.193339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.193339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.193339 (E_RNA)
where:
Base-Base interactions energy: -388.277
where: short stacking energy: -214.968
Base-Backbone interact. energy: 3.137
local terms energy: -335.053966
where:
bonds (distance) C4'-P energy: -84.653
bonds (distance) P-C4' energy: -100.408
flat angles C4'-P-C4' energy: -83.115
flat angles P-C4'-P energy: -40.512
tors. eta vs tors. theta energy: -26.366
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: 153
Temperature: 1.350000
Total energy: -595.929346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.929346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.929346 (E_RNA)
where:
Base-Base interactions energy: -306.942
where: short stacking energy: -159.432
Base-Backbone interact. energy: 0.767
local terms energy: -289.753736
where:
bonds (distance) C4'-P energy: -78.469
bonds (distance) P-C4' energy: -87.164
flat angles C4'-P-C4' energy: -83.926
flat angles P-C4'-P energy: -50.187
tors. eta vs tors. theta energy: 9.992
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: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1894.779564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.779564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.779564 (E_RNA)
where:
Base-Base interactions energy: -1344.797
where: short stacking energy: -547.830
Base-Backbone interact. energy: -5.269
local terms energy: -544.713166
where:
bonds (distance) C4'-P energy: -99.598
bonds (distance) P-C4' energy: -102.215
flat angles C4'-P-C4' energy: -122.498
flat angles P-C4'-P energy: -72.348
tors. eta vs tors. theta energy: -148.055
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: 154
Temperature: 0.950000
Total energy: -1786.572533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.572533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.572533 (E_RNA)
where:
Base-Base interactions energy: -1260.289
where: short stacking energy: -512.147
Base-Backbone interact. energy: -2.666
local terms energy: -523.617524
where:
bonds (distance) C4'-P energy: -96.192
bonds (distance) P-C4' energy: -106.035
flat angles C4'-P-C4' energy: -110.101
flat angles P-C4'-P energy: -78.143
tors. eta vs tors. theta energy: -133.146
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: 3, replica: 2
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1753.235461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.235461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.235461 (E_RNA)
where:
Base-Base interactions energy: -1231.591
where: short stacking energy: -496.490
Base-Backbone interact. energy: -2.611
local terms energy: -519.033318
where:
bonds (distance) C4'-P energy: -79.538
bonds (distance) P-C4' energy: -110.923
flat angles C4'-P-C4' energy: -110.033
flat angles P-C4'-P energy: -84.520
tors. eta vs tors. theta energy: -134.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1635.044072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.044072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.044072 (E_RNA)
where:
Base-Base interactions energy: -1111.535
where: short stacking energy: -488.158
Base-Backbone interact. energy: -2.861
local terms energy: -520.647884
where:
bonds (distance) C4'-P energy: -92.063
bonds (distance) P-C4' energy: -102.725
flat angles C4'-P-C4' energy: -116.571
flat angles P-C4'-P energy: -69.208
tors. eta vs tors. theta energy: -140.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1602.207235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.207235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.207235 (E_RNA)
where:
Base-Base interactions energy: -1106.712
where: short stacking energy: -457.614
Base-Backbone interact. energy: -1.573
local terms energy: -493.922660
where:
bonds (distance) C4'-P energy: -81.780
bonds (distance) P-C4' energy: -105.753
flat angles C4'-P-C4' energy: -111.785
flat angles P-C4'-P energy: -74.204
tors. eta vs tors. theta energy: -120.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1443.691682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.691682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.691682 (E_RNA)
where:
Base-Base interactions energy: -991.942
where: short stacking energy: -406.529
Base-Backbone interact. energy: 0.474
local terms energy: -452.223848
where:
bonds (distance) C4'-P energy: -91.446
bonds (distance) P-C4' energy: -103.777
flat angles C4'-P-C4' energy: -94.416
flat angles P-C4'-P energy: -64.391
tors. eta vs tors. theta energy: -98.194
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: 6
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1382.189056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.189056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.189056 (E_RNA)
where:
Base-Base interactions energy: -962.053
where: short stacking energy: -404.019
Base-Backbone interact. energy: 2.432
local terms energy: -422.567844
where:
bonds (distance) C4'-P energy: -82.164
bonds (distance) P-C4' energy: -87.329
flat angles C4'-P-C4' energy: -90.176
flat angles P-C4'-P energy: -56.482
tors. eta vs tors. theta energy: -106.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1080.371717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.371717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.371717 (E_RNA)
where:
Base-Base interactions energy: -724.262
where: short stacking energy: -300.167
Base-Backbone interact. energy: -3.005
local terms energy: -353.105030
where:
bonds (distance) C4'-P energy: -88.163
bonds (distance) P-C4' energy: -74.942
flat angles C4'-P-C4' energy: -71.204
flat angles P-C4'-P energy: -54.756
tors. eta vs tors. theta energy: -64.040
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: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -752.198830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.198830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.198830 (E_RNA)
where:
Base-Base interactions energy: -426.986
where: short stacking energy: -188.165
Base-Backbone interact. energy: 1.411
local terms energy: -326.623067
where:
bonds (distance) C4'-P energy: -86.939
bonds (distance) P-C4' energy: -106.753
flat angles C4'-P-C4' energy: -76.571
flat angles P-C4'-P energy: -53.162
tors. eta vs tors. theta energy: -3.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -601.116651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.116651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.116651 (E_RNA)
where:
Base-Base interactions energy: -285.352
where: short stacking energy: -167.146
Base-Backbone interact. energy: -0.756
local terms energy: -315.008299
where:
bonds (distance) C4'-P energy: -72.425
bonds (distance) P-C4' energy: -89.107
flat angles C4'-P-C4' energy: -87.310
flat angles P-C4'-P energy: -57.318
tors. eta vs tors. theta energy: -8.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1874.817112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.817112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.817112 (E_RNA)
where:
Base-Base interactions energy: -1335.972
where: short stacking energy: -547.742
Base-Backbone interact. energy: 0.716
local terms energy: -539.560862
where:
bonds (distance) C4'-P energy: -103.998
bonds (distance) P-C4' energy: -105.520
flat angles C4'-P-C4' energy: -113.951
flat angles P-C4'-P energy: -73.575
tors. eta vs tors. theta energy: -142.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1783.215678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.215678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.215678 (E_RNA)
where:
Base-Base interactions energy: -1252.774
where: short stacking energy: -501.587
Base-Backbone interact. energy: -1.207
local terms energy: -529.235059
where:
bonds (distance) C4'-P energy: -101.031
bonds (distance) P-C4' energy: -100.791
flat angles C4'-P-C4' energy: -117.177
flat angles P-C4'-P energy: -73.788
tors. eta vs tors. theta energy: -136.448
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: 3, replica: 4
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1791.587000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.587000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.587000 (E_RNA)
where:
Base-Base interactions energy: -1262.309
where: short stacking energy: -518.399
Base-Backbone interact. energy: 0.090
local terms energy: -529.368009
where:
bonds (distance) C4'-P energy: -90.604
bonds (distance) P-C4' energy: -99.942
flat angles C4'-P-C4' energy: -118.250
flat angles P-C4'-P energy: -85.296
tors. eta vs tors. theta energy: -135.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1629.969372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.969372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.969372 (E_RNA)
where:
Base-Base interactions energy: -1129.161
where: short stacking energy: -505.657
Base-Backbone interact. energy: -2.708
local terms energy: -498.100282
where:
bonds (distance) C4'-P energy: -93.814
bonds (distance) P-C4' energy: -105.465
flat angles C4'-P-C4' energy: -100.119
flat angles P-C4'-P energy: -62.971
tors. eta vs tors. theta energy: -135.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1572.672575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.672575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.672575 (E_RNA)
where:
Base-Base interactions energy: -1076.042
where: short stacking energy: -465.294
Base-Backbone interact. energy: 1.759
local terms energy: -498.389868
where:
bonds (distance) C4'-P energy: -104.340
bonds (distance) P-C4' energy: -102.063
flat angles C4'-P-C4' energy: -104.650
flat angles P-C4'-P energy: -67.154
tors. eta vs tors. theta energy: -120.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1425.246922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.246922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.246922 (E_RNA)
where:
Base-Base interactions energy: -974.980
where: short stacking energy: -415.020
Base-Backbone interact. energy: 1.506
local terms energy: -451.772904
where:
bonds (distance) C4'-P energy: -77.922
bonds (distance) P-C4' energy: -89.349
flat angles C4'-P-C4' energy: -111.178
flat angles P-C4'-P energy: -74.913
tors. eta vs tors. theta energy: -98.410
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: 155
Temperature: 1.200000
Total energy: -1412.900466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.900466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.900466 (E_RNA)
where:
Base-Base interactions energy: -1006.406
where: short stacking energy: -397.039
Base-Backbone interact. energy: -3.070
local terms energy: -403.424987
where:
bonds (distance) C4'-P energy: -70.125
bonds (distance) P-C4' energy: -80.673
flat angles C4'-P-C4' energy: -113.579
flat angles P-C4'-P energy: -45.798
tors. eta vs tors. theta energy: -93.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1100.308464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.308464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.308464 (E_RNA)
where:
Base-Base interactions energy: -736.938
where: short stacking energy: -301.042
Base-Backbone interact. energy: -0.089
local terms energy: -363.281437
where:
bonds (distance) C4'-P energy: -74.016
bonds (distance) P-C4' energy: -79.139
flat angles C4'-P-C4' energy: -99.087
flat angles P-C4'-P energy: -54.862
tors. eta vs tors. theta energy: -56.178
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: 9
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -744.650868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.650868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.650868 (E_RNA)
where:
Base-Base interactions energy: -424.958
where: short stacking energy: -207.761
Base-Backbone interact. energy: -1.612
local terms energy: -318.081074
where:
bonds (distance) C4'-P energy: -71.920
bonds (distance) P-C4' energy: -81.404
flat angles C4'-P-C4' energy: -94.037
flat angles P-C4'-P energy: -52.742
tors. eta vs tors. theta energy: -17.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -605.958598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.958598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.958598 (E_RNA)
where:
Base-Base interactions energy: -310.841
where: short stacking energy: -174.486
Base-Backbone interact. energy: 0.376
local terms energy: -295.493112
where:
bonds (distance) C4'-P energy: -78.430
bonds (distance) P-C4' energy: -88.886
flat angles C4'-P-C4' energy: -71.587
flat angles P-C4'-P energy: -52.778
tors. eta vs tors. theta energy: -3.813
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: 156
Temperature: 0.900000
Total energy: -1910.516332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.516332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.516332 (E_RNA)
where:
Base-Base interactions energy: -1362.014
where: short stacking energy: -548.053
Base-Backbone interact. energy: -4.600
local terms energy: -543.902705
where:
bonds (distance) C4'-P energy: -90.762
bonds (distance) P-C4' energy: -97.683
flat angles C4'-P-C4' energy: -121.044
flat angles P-C4'-P energy: -83.807
tors. eta vs tors. theta energy: -150.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1763.025883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.025883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.025883 (E_RNA)
where:
Base-Base interactions energy: -1234.940
where: short stacking energy: -484.588
Base-Backbone interact. energy: 1.126
local terms energy: -529.211769
where:
bonds (distance) C4'-P energy: -95.828
bonds (distance) P-C4' energy: -103.126
flat angles C4'-P-C4' energy: -115.613
flat angles P-C4'-P energy: -76.675
tors. eta vs tors. theta energy: -137.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1759.751277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.751277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.751277 (E_RNA)
where:
Base-Base interactions energy: -1220.716
where: short stacking energy: -509.311
Base-Backbone interact. energy: -2.879
local terms energy: -536.156574
where:
bonds (distance) C4'-P energy: -98.585
bonds (distance) P-C4' energy: -103.630
flat angles C4'-P-C4' energy: -108.251
flat angles P-C4'-P energy: -76.316
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: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1665.902332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.902332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.902332 (E_RNA)
where:
Base-Base interactions energy: -1153.660
where: short stacking energy: -479.601
Base-Backbone interact. energy: 3.285
local terms energy: -515.527198
where:
bonds (distance) C4'-P energy: -83.928
bonds (distance) P-C4' energy: -100.495
flat angles C4'-P-C4' energy: -118.239
flat angles P-C4'-P energy: -74.223
tors. eta vs tors. theta energy: -138.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1609.289351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.289351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.289351 (E_RNA)
where:
Base-Base interactions energy: -1142.004
where: short stacking energy: -437.661
Base-Backbone interact. energy: -0.793
local terms energy: -466.492090
where:
bonds (distance) C4'-P energy: -84.136
bonds (distance) P-C4' energy: -93.756
flat angles C4'-P-C4' energy: -104.954
flat angles P-C4'-P energy: -63.992
tors. eta vs tors. theta energy: -119.653
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: 8
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1469.976120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.976120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.976120 (E_RNA)
where:
Base-Base interactions energy: -1008.733
where: short stacking energy: -457.230
Base-Backbone interact. energy: -1.406
local terms energy: -459.837691
where:
bonds (distance) C4'-P energy: -81.191
bonds (distance) P-C4' energy: -99.828
flat angles C4'-P-C4' energy: -107.263
flat angles P-C4'-P energy: -60.597
tors. eta vs tors. theta energy: -110.959
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: 7, replica: 6
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1379.089217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.089217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.089217 (E_RNA)
where:
Base-Base interactions energy: -979.845
where: short stacking energy: -402.329
Base-Backbone interact. energy: 1.959
local terms energy: -401.202796
where:
bonds (distance) C4'-P energy: -84.646
bonds (distance) P-C4' energy: -80.758
flat angles C4'-P-C4' energy: -83.669
flat angles P-C4'-P energy: -57.773
tors. eta vs tors. theta energy: -94.357
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: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1063.273397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.273397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.273397 (E_RNA)
where:
Base-Base interactions energy: -698.390
where: short stacking energy: -312.621
Base-Backbone interact. energy: -1.889
local terms energy: -362.994991
where:
bonds (distance) C4'-P energy: -79.498
bonds (distance) P-C4' energy: -77.244
flat angles C4'-P-C4' energy: -86.525
flat angles P-C4'-P energy: -56.227
tors. eta vs tors. theta energy: -63.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -739.907350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.907350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.907350 (E_RNA)
where:
Base-Base interactions energy: -383.829
where: short stacking energy: -187.962
Base-Backbone interact. energy: -4.538
local terms energy: -351.540040
where:
bonds (distance) C4'-P energy: -92.972
bonds (distance) P-C4' energy: -88.666
flat angles C4'-P-C4' energy: -90.045
flat angles P-C4'-P energy: -59.580
tors. eta vs tors. theta energy: -20.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -608.853304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.853304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.853304 (E_RNA)
where:
Base-Base interactions energy: -310.602
where: short stacking energy: -179.128
Base-Backbone interact. energy: -0.183
local terms energy: -298.069093
where:
bonds (distance) C4'-P energy: -89.720
bonds (distance) P-C4' energy: -99.626
flat angles C4'-P-C4' energy: -68.163
flat angles P-C4'-P energy: -48.698
tors. eta vs tors. theta energy: 8.138
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: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1882.891285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.891285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.891285 (E_RNA)
where:
Base-Base interactions energy: -1349.800
where: short stacking energy: -557.175
Base-Backbone interact. energy: 1.565
local terms energy: -534.656131
where:
bonds (distance) C4'-P energy: -100.864
bonds (distance) P-C4' energy: -97.539
flat angles C4'-P-C4' energy: -110.766
flat angles P-C4'-P energy: -72.287
tors. eta vs tors. theta energy: -153.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1799.931642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.931642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.931642 (E_RNA)
where:
Base-Base interactions energy: -1254.740
where: short stacking energy: -518.141
Base-Backbone interact. energy: -1.213
local terms energy: -543.978751
where:
bonds (distance) C4'-P energy: -104.693
bonds (distance) P-C4' energy: -102.512
flat angles C4'-P-C4' energy: -119.224
flat angles P-C4'-P energy: -68.536
tors. eta vs tors. theta energy: -149.013
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: 157
Temperature: 1.000000
Total energy: -1745.776492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.776492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.776492 (E_RNA)
where:
Base-Base interactions energy: -1245.059
where: short stacking energy: -514.954
Base-Backbone interact. energy: -1.864
local terms energy: -498.853300
where:
bonds (distance) C4'-P energy: -91.099
bonds (distance) P-C4' energy: -87.597
flat angles C4'-P-C4' energy: -107.862
flat angles P-C4'-P energy: -80.426
tors. eta vs tors. theta energy: -131.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1689.149986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.149986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.149986 (E_RNA)
where:
Base-Base interactions energy: -1183.705
where: short stacking energy: -485.894
Base-Backbone interact. energy: -3.717
local terms energy: -501.728243
where:
bonds (distance) C4'-P energy: -84.130
bonds (distance) P-C4' energy: -88.963
flat angles C4'-P-C4' energy: -118.074
flat angles P-C4'-P energy: -79.260
tors. eta vs tors. theta energy: -131.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1565.377904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.377904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.377904 (E_RNA)
where:
Base-Base interactions energy: -1075.357
where: short stacking energy: -442.164
Base-Backbone interact. energy: -3.413
local terms energy: -486.607745
where:
bonds (distance) C4'-P energy: -95.047
bonds (distance) P-C4' energy: -91.013
flat angles C4'-P-C4' energy: -109.702
flat angles P-C4'-P energy: -74.056
tors. eta vs tors. theta energy: -116.790
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: 6, replica: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1460.606532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.606532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.606532 (E_RNA)
where:
Base-Base interactions energy: -1006.150
where: short stacking energy: -432.165
Base-Backbone interact. energy: -1.126
local terms energy: -453.329703
where:
bonds (distance) C4'-P energy: -97.724
bonds (distance) P-C4' energy: -77.869
flat angles C4'-P-C4' energy: -104.465
flat angles P-C4'-P energy: -59.472
tors. eta vs tors. theta energy: -113.800
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: 6
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1414.302493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.302493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.302493 (E_RNA)
where:
Base-Base interactions energy: -993.412
where: short stacking energy: -404.391
Base-Backbone interact. energy: 5.265
local terms energy: -426.155597
where:
bonds (distance) C4'-P energy: -73.918
bonds (distance) P-C4' energy: -93.039
flat angles C4'-P-C4' energy: -116.370
flat angles P-C4'-P energy: -51.083
tors. eta vs tors. theta energy: -91.746
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: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1074.456205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.456205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.456205 (E_RNA)
where:
Base-Base interactions energy: -683.019
where: short stacking energy: -309.143
Base-Backbone interact. energy: 0.220
local terms energy: -391.656924
where:
bonds (distance) C4'-P energy: -82.892
bonds (distance) P-C4' energy: -100.083
flat angles C4'-P-C4' energy: -85.264
flat angles P-C4'-P energy: -56.287
tors. eta vs tors. theta energy: -67.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -760.022508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.022508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.022508 (E_RNA)
where:
Base-Base interactions energy: -421.355
where: short stacking energy: -219.226
Base-Backbone interact. energy: 0.431
local terms energy: -339.098825
where:
bonds (distance) C4'-P energy: -76.930
bonds (distance) P-C4' energy: -96.159
flat angles C4'-P-C4' energy: -78.528
flat angles P-C4'-P energy: -46.828
tors. eta vs tors. theta energy: -40.654
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: 157
Temperature: 1.350000
Total energy: -624.866388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.866388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.866388 (E_RNA)
where:
Base-Base interactions energy: -341.147
where: short stacking energy: -183.895
Base-Backbone interact. energy: 4.510
local terms energy: -288.229119
where:
bonds (distance) C4'-P energy: -79.551
bonds (distance) P-C4' energy: -91.605
flat angles C4'-P-C4' energy: -68.509
flat angles P-C4'-P energy: -43.074
tors. eta vs tors. theta energy: -5.490
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: 158
Temperature: 0.900000
Total energy: -1880.764803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.764803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.764803 (E_RNA)
where:
Base-Base interactions energy: -1356.821
where: short stacking energy: -546.101
Base-Backbone interact. energy: -4.740
local terms energy: -519.203943
where:
bonds (distance) C4'-P energy: -96.529
bonds (distance) P-C4' energy: -98.547
flat angles C4'-P-C4' energy: -104.328
flat angles P-C4'-P energy: -75.872
tors. eta vs tors. theta energy: -143.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1808.853987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.853987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.853987 (E_RNA)
where:
Base-Base interactions energy: -1239.614
where: short stacking energy: -524.930
Base-Backbone interact. energy: -4.095
local terms energy: -565.145745
where:
bonds (distance) C4'-P energy: -96.656
bonds (distance) P-C4' energy: -104.611
flat angles C4'-P-C4' energy: -122.485
flat angles P-C4'-P energy: -89.045
tors. eta vs tors. theta energy: -152.348
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: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1749.890230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.890230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.890230 (E_RNA)
where:
Base-Base interactions energy: -1237.720
where: short stacking energy: -501.944
Base-Backbone interact. energy: -2.785
local terms energy: -509.385629
where:
bonds (distance) C4'-P energy: -96.982
bonds (distance) P-C4' energy: -94.889
flat angles C4'-P-C4' energy: -113.783
flat angles P-C4'-P energy: -61.497
tors. eta vs tors. theta energy: -142.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1657.394452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.394452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.394452 (E_RNA)
where:
Base-Base interactions energy: -1162.811
where: short stacking energy: -466.889
Base-Backbone interact. energy: -4.003
local terms energy: -490.580000
where:
bonds (distance) C4'-P energy: -87.007
bonds (distance) P-C4' energy: -104.804
flat angles C4'-P-C4' energy: -110.882
flat angles P-C4'-P energy: -76.998
tors. eta vs tors. theta energy: -110.890
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: 158
Temperature: 1.100000
Total energy: -1596.024957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.024957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.024957 (E_RNA)
where:
Base-Base interactions energy: -1127.216
where: short stacking energy: -451.557
Base-Backbone interact. energy: 2.331
local terms energy: -471.140109
where:
bonds (distance) C4'-P energy: -85.266
bonds (distance) P-C4' energy: -82.183
flat angles C4'-P-C4' energy: -112.759
flat angles P-C4'-P energy: -71.268
tors. eta vs tors. theta energy: -119.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1429.494484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.494484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.494484 (E_RNA)
where:
Base-Base interactions energy: -971.116
where: short stacking energy: -432.478
Base-Backbone interact. energy: 0.259
local terms energy: -458.637145
where:
bonds (distance) C4'-P energy: -93.961
bonds (distance) P-C4' energy: -103.403
flat angles C4'-P-C4' energy: -84.503
flat angles P-C4'-P energy: -69.037
tors. eta vs tors. theta energy: -107.732
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: 6
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1419.561539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.561539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.561539 (E_RNA)
where:
Base-Base interactions energy: -967.112
where: short stacking energy: -406.974
Base-Backbone interact. energy: -1.506
local terms energy: -450.944127
where:
bonds (distance) C4'-P energy: -105.657
bonds (distance) P-C4' energy: -93.080
flat angles C4'-P-C4' energy: -85.944
flat angles P-C4'-P energy: -58.291
tors. eta vs tors. theta energy: -107.971
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: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1018.390390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.390390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.390390 (E_RNA)
where:
Base-Base interactions energy: -649.975
where: short stacking energy: -297.622
Base-Backbone interact. energy: 2.111
local terms energy: -370.526287
where:
bonds (distance) C4'-P energy: -105.454
bonds (distance) P-C4' energy: -88.212
flat angles C4'-P-C4' energy: -85.168
flat angles P-C4'-P energy: -46.692
tors. eta vs tors. theta energy: -45.001
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: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -740.639289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.639289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.639289 (E_RNA)
where:
Base-Base interactions energy: -413.814
where: short stacking energy: -234.420
Base-Backbone interact. energy: 2.462
local terms energy: -329.288000
where:
bonds (distance) C4'-P energy: -85.534
bonds (distance) P-C4' energy: -90.416
flat angles C4'-P-C4' energy: -85.364
flat angles P-C4'-P energy: -34.127
tors. eta vs tors. theta energy: -33.846
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: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -604.112015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.112015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.112015 (E_RNA)
where:
Base-Base interactions energy: -304.570
where: short stacking energy: -147.022
Base-Backbone interact. energy: -1.049
local terms energy: -298.493081
where:
bonds (distance) C4'-P energy: -86.482
bonds (distance) P-C4' energy: -99.740
flat angles C4'-P-C4' energy: -68.690
flat angles P-C4'-P energy: -55.929
tors. eta vs tors. theta energy: 12.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1854.523147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.523147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.523147 (E_RNA)
where:
Base-Base interactions energy: -1296.265
where: short stacking energy: -509.825
Base-Backbone interact. energy: 0.197
local terms energy: -558.455419
where:
bonds (distance) C4'-P energy: -112.025
bonds (distance) P-C4' energy: -106.577
flat angles C4'-P-C4' energy: -118.189
flat angles P-C4'-P energy: -81.234
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: 2, replica: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1803.089883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.089883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.089883 (E_RNA)
where:
Base-Base interactions energy: -1262.872
where: short stacking energy: -535.045
Base-Backbone interact. energy: 3.682
local terms energy: -543.900211
where:
bonds (distance) C4'-P energy: -106.144
bonds (distance) P-C4' energy: -98.130
flat angles C4'-P-C4' energy: -114.269
flat angles P-C4'-P energy: -77.002
tors. eta vs tors. theta energy: -148.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1768.654960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.654960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.654960 (E_RNA)
where:
Base-Base interactions energy: -1263.377
where: short stacking energy: -511.482
Base-Backbone interact. energy: 3.615
local terms energy: -508.892568
where:
bonds (distance) C4'-P energy: -97.057
bonds (distance) P-C4' energy: -91.996
flat angles C4'-P-C4' energy: -107.493
flat angles P-C4'-P energy: -84.151
tors. eta vs tors. theta energy: -128.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1667.237050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.237050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.237050 (E_RNA)
where:
Base-Base interactions energy: -1180.645
where: short stacking energy: -468.636
Base-Backbone interact. energy: 1.283
local terms energy: -487.875783
where:
bonds (distance) C4'-P energy: -76.101
bonds (distance) P-C4' energy: -104.587
flat angles C4'-P-C4' energy: -115.000
flat angles P-C4'-P energy: -71.932
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: 5, replica: 3
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1584.051012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.051012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.051012 (E_RNA)
where:
Base-Base interactions energy: -1110.596
where: short stacking energy: -455.160
Base-Backbone interact. energy: 0.636
local terms energy: -474.091848
where:
bonds (distance) C4'-P energy: -82.532
bonds (distance) P-C4' energy: -90.546
flat angles C4'-P-C4' energy: -109.490
flat angles P-C4'-P energy: -68.172
tors. eta vs tors. theta energy: -123.353
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: 8
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1401.695312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.695312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.695312 (E_RNA)
where:
Base-Base interactions energy: -943.118
where: short stacking energy: -404.610
Base-Backbone interact. energy: -3.173
local terms energy: -455.404142
where:
bonds (distance) C4'-P energy: -85.829
bonds (distance) P-C4' energy: -95.621
flat angles C4'-P-C4' energy: -104.111
flat angles P-C4'-P energy: -71.740
tors. eta vs tors. theta energy: -98.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1448.624678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.624678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.624678 (E_RNA)
where:
Base-Base interactions energy: -998.094
where: short stacking energy: -406.018
Base-Backbone interact. energy: -3.063
local terms energy: -447.467183
where:
bonds (distance) C4'-P energy: -98.176
bonds (distance) P-C4' energy: -101.602
flat angles C4'-P-C4' energy: -101.920
flat angles P-C4'-P energy: -44.177
tors. eta vs tors. theta energy: -101.592
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: 7
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1020.539102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.539102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.539102 (E_RNA)
where:
Base-Base interactions energy: -662.620
where: short stacking energy: -284.707
Base-Backbone interact. energy: -0.452
local terms energy: -357.467387
where:
bonds (distance) C4'-P energy: -84.753
bonds (distance) P-C4' energy: -96.793
flat angles C4'-P-C4' energy: -84.318
flat angles P-C4'-P energy: -54.199
tors. eta vs tors. theta energy: -37.405
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: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -750.764792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.764792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.764792 (E_RNA)
where:
Base-Base interactions energy: -423.302
where: short stacking energy: -227.161
Base-Backbone interact. energy: -0.384
local terms energy: -327.078826
where:
bonds (distance) C4'-P energy: -67.801
bonds (distance) P-C4' energy: -84.321
flat angles C4'-P-C4' energy: -86.469
flat angles P-C4'-P energy: -63.501
tors. eta vs tors. theta energy: -24.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -616.396599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.396599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.396599 (E_RNA)
where:
Base-Base interactions energy: -296.404
where: short stacking energy: -174.083
Base-Backbone interact. energy: -2.682
local terms energy: -317.310331
where:
bonds (distance) C4'-P energy: -85.163
bonds (distance) P-C4' energy: -89.459
flat angles C4'-P-C4' energy: -83.845
flat angles P-C4'-P energy: -45.581
tors. eta vs tors. theta energy: -13.262
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: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1881.944500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.944500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.944500 (E_RNA)
where:
Base-Base interactions energy: -1324.237
where: short stacking energy: -547.982
Base-Backbone interact. energy: 3.614
local terms energy: -561.321565
where:
bonds (distance) C4'-P energy: -108.854
bonds (distance) P-C4' energy: -103.974
flat angles C4'-P-C4' energy: -120.605
flat angles P-C4'-P energy: -80.669
tors. eta vs tors. theta energy: -147.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1795.654055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.654055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.654055 (E_RNA)
where:
Base-Base interactions energy: -1251.780
where: short stacking energy: -523.702
Base-Backbone interact. energy: -1.164
local terms energy: -542.709934
where:
bonds (distance) C4'-P energy: -102.857
bonds (distance) P-C4' energy: -113.466
flat angles C4'-P-C4' energy: -113.253
flat angles P-C4'-P energy: -77.327
tors. eta vs tors. theta energy: -135.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1775.531205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.531205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.531205 (E_RNA)
where:
Base-Base interactions energy: -1256.122
where: short stacking energy: -493.785
Base-Backbone interact. energy: -2.550
local terms energy: -516.858949
where:
bonds (distance) C4'-P energy: -100.660
bonds (distance) P-C4' energy: -107.164
flat angles C4'-P-C4' energy: -111.580
flat angles P-C4'-P energy: -67.024
tors. eta vs tors. theta energy: -130.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1656.350309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.350309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.350309 (E_RNA)
where:
Base-Base interactions energy: -1161.181
where: short stacking energy: -468.738
Base-Backbone interact. energy: 0.866
local terms energy: -496.034818
where:
bonds (distance) C4'-P energy: -83.708
bonds (distance) P-C4' energy: -91.957
flat angles C4'-P-C4' energy: -113.870
flat angles P-C4'-P energy: -82.113
tors. eta vs tors. theta energy: -124.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1563.805519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.805519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.805519 (E_RNA)
where:
Base-Base interactions energy: -1087.682
where: short stacking energy: -445.694
Base-Backbone interact. energy: -0.484
local terms energy: -475.638956
where:
bonds (distance) C4'-P energy: -95.767
bonds (distance) P-C4' energy: -89.999
flat angles C4'-P-C4' energy: -103.286
flat angles P-C4'-P energy: -72.236
tors. eta vs tors. theta energy: -114.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1423.853353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.853353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.853353 (E_RNA)
where:
Base-Base interactions energy: -974.583
where: short stacking energy: -411.480
Base-Backbone interact. energy: -3.500
local terms energy: -445.770878
where:
bonds (distance) C4'-P energy: -78.621
bonds (distance) P-C4' energy: -96.309
flat angles C4'-P-C4' energy: -103.033
flat angles P-C4'-P energy: -61.319
tors. eta vs tors. theta energy: -106.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1418.204278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.204278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.204278 (E_RNA)
where:
Base-Base interactions energy: -1004.001
where: short stacking energy: -403.205
Base-Backbone interact. energy: 3.056
local terms energy: -417.258969
where:
bonds (distance) C4'-P energy: -81.385
bonds (distance) P-C4' energy: -85.499
flat angles C4'-P-C4' energy: -89.068
flat angles P-C4'-P energy: -55.148
tors. eta vs tors. theta energy: -106.159
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: 160
Temperature: 1.250000
Total energy: -1068.898719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.898719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.898719 (E_RNA)
where:
Base-Base interactions energy: -697.316
where: short stacking energy: -299.536
Base-Backbone interact. energy: 2.324
local terms energy: -373.906486
where:
bonds (distance) C4'-P energy: -79.250
bonds (distance) P-C4' energy: -93.223
flat angles C4'-P-C4' energy: -90.105
flat angles P-C4'-P energy: -51.289
tors. eta vs tors. theta energy: -60.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -709.927588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.927588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.927588 (E_RNA)
where:
Base-Base interactions energy: -381.632
where: short stacking energy: -211.389
Base-Backbone interact. energy: 3.093
local terms energy: -331.388526
where:
bonds (distance) C4'-P energy: -88.542
bonds (distance) P-C4' energy: -73.555
flat angles C4'-P-C4' energy: -81.938
flat angles P-C4'-P energy: -51.278
tors. eta vs tors. theta energy: -36.076
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: 160
Temperature: 1.350000
Total energy: -604.221092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.221092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.221092 (E_RNA)
where:
Base-Base interactions energy: -324.952
where: short stacking energy: -170.126
Base-Backbone interact. energy: 1.322
local terms energy: -280.590922
where:
bonds (distance) C4'-P energy: -71.415
bonds (distance) P-C4' energy: -77.422
flat angles C4'-P-C4' energy: -69.521
flat angles P-C4'-P energy: -62.337
tors. eta vs tors. theta energy: 0.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1839.792389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.792389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.792389 (E_RNA)
where:
Base-Base interactions energy: -1314.436
where: short stacking energy: -515.704
Base-Backbone interact. energy: -2.174
local terms energy: -523.182874
where:
bonds (distance) C4'-P energy: -94.016
bonds (distance) P-C4' energy: -100.310
flat angles C4'-P-C4' energy: -107.160
flat angles P-C4'-P energy: -81.657
tors. eta vs tors. theta energy: -140.040
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: 4
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1786.187061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.187061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.187061 (E_RNA)
where:
Base-Base interactions energy: -1238.476
where: short stacking energy: -504.987
Base-Backbone interact. energy: -1.598
local terms energy: -546.113279
where:
bonds (distance) C4'-P energy: -95.876
bonds (distance) P-C4' energy: -112.542
flat angles C4'-P-C4' energy: -115.167
flat angles P-C4'-P energy: -80.563
tors. eta vs tors. theta energy: -141.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1753.306071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.306071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.306071 (E_RNA)
where:
Base-Base interactions energy: -1257.848
where: short stacking energy: -510.702
Base-Backbone interact. energy: 1.235
local terms energy: -496.692846
where:
bonds (distance) C4'-P energy: -82.637
bonds (distance) P-C4' energy: -102.219
flat angles C4'-P-C4' energy: -107.740
flat angles P-C4'-P energy: -70.162
tors. eta vs tors. theta energy: -133.933
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: 4, replica: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1673.903532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.903532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.903532 (E_RNA)
where:
Base-Base interactions energy: -1146.051
where: short stacking energy: -457.866
Base-Backbone interact. energy: -2.076
local terms energy: -525.777068
where:
bonds (distance) C4'-P energy: -110.483
bonds (distance) P-C4' energy: -100.975
flat angles C4'-P-C4' energy: -117.464
flat angles P-C4'-P energy: -72.963
tors. eta vs tors. theta energy: -123.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1571.482827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.482827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.482827 (E_RNA)
where:
Base-Base interactions energy: -1096.087
where: short stacking energy: -464.768
Base-Backbone interact. energy: -4.013
local terms energy: -471.382561
where:
bonds (distance) C4'-P energy: -96.835
bonds (distance) P-C4' energy: -89.364
flat angles C4'-P-C4' energy: -96.427
flat angles P-C4'-P energy: -64.297
tors. eta vs tors. theta energy: -124.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1452.083213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.083213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.083213 (E_RNA)
where:
Base-Base interactions energy: -994.977
where: short stacking energy: -425.726
Base-Backbone interact. energy: -1.456
local terms energy: -455.650688
where:
bonds (distance) C4'-P energy: -91.266
bonds (distance) P-C4' energy: -101.848
flat angles C4'-P-C4' energy: -111.130
flat angles P-C4'-P energy: -51.900
tors. eta vs tors. theta energy: -99.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1350.817546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.817546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.817546 (E_RNA)
where:
Base-Base interactions energy: -915.855
where: short stacking energy: -365.850
Base-Backbone interact. energy: -1.380
local terms energy: -433.582088
where:
bonds (distance) C4'-P energy: -88.928
bonds (distance) P-C4' energy: -88.631
flat angles C4'-P-C4' energy: -109.527
flat angles P-C4'-P energy: -59.895
tors. eta vs tors. theta energy: -86.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1069.078097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.078097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.078097 (E_RNA)
where:
Base-Base interactions energy: -716.537
where: short stacking energy: -323.154
Base-Backbone interact. energy: -3.138
local terms energy: -349.402661
where:
bonds (distance) C4'-P energy: -80.158
bonds (distance) P-C4' energy: -70.940
flat angles C4'-P-C4' energy: -88.614
flat angles P-C4'-P energy: -62.596
tors. eta vs tors. theta energy: -47.095
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: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -725.903226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.903226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.903226 (E_RNA)
where:
Base-Base interactions energy: -428.877
where: short stacking energy: -216.745
Base-Backbone interact. energy: 7.503
local terms energy: -304.529317
where:
bonds (distance) C4'-P energy: -80.941
bonds (distance) P-C4' energy: -83.908
flat angles C4'-P-C4' energy: -71.500
flat angles P-C4'-P energy: -45.556
tors. eta vs tors. theta energy: -22.625
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: 161
Temperature: 1.350000
Total energy: -513.384737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.384737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.384737 (E_RNA)
where:
Base-Base interactions energy: -239.714
where: short stacking energy: -131.832
Base-Backbone interact. energy: -3.549
local terms energy: -270.121456
where:
bonds (distance) C4'-P energy: -80.610
bonds (distance) P-C4' energy: -89.367
flat angles C4'-P-C4' energy: -52.396
flat angles P-C4'-P energy: -50.817
tors. eta vs tors. theta energy: 3.068
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: 162
Temperature: 0.900000
Total energy: -1839.447299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.447299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.447299 (E_RNA)
where:
Base-Base interactions energy: -1297.326
where: short stacking energy: -516.954
Base-Backbone interact. energy: 0.908
local terms energy: -543.029125
where:
bonds (distance) C4'-P energy: -105.005
bonds (distance) P-C4' energy: -104.212
flat angles C4'-P-C4' energy: -111.461
flat angles P-C4'-P energy: -82.448
tors. eta vs tors. theta energy: -139.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1801.893444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.893444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.893444 (E_RNA)
where:
Base-Base interactions energy: -1238.808
where: short stacking energy: -523.696
Base-Backbone interact. energy: -3.237
local terms energy: -559.849323
where:
bonds (distance) C4'-P energy: -105.680
bonds (distance) P-C4' energy: -108.953
flat angles C4'-P-C4' energy: -117.532
flat angles P-C4'-P energy: -87.196
tors. eta vs tors. theta energy: -140.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1729.228569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.228569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.228569 (E_RNA)
where:
Base-Base interactions energy: -1224.741
where: short stacking energy: -497.719
Base-Backbone interact. energy: -2.381
local terms energy: -502.106221
where:
bonds (distance) C4'-P energy: -79.569
bonds (distance) P-C4' energy: -108.019
flat angles C4'-P-C4' energy: -108.252
flat angles P-C4'-P energy: -76.963
tors. eta vs tors. theta energy: -129.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1668.505880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.505880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.505880 (E_RNA)
where:
Base-Base interactions energy: -1152.895
where: short stacking energy: -493.728
Base-Backbone interact. energy: -1.668
local terms energy: -513.943028
where:
bonds (distance) C4'-P energy: -93.995
bonds (distance) P-C4' energy: -97.195
flat angles C4'-P-C4' energy: -113.777
flat angles P-C4'-P energy: -62.099
tors. eta vs tors. theta energy: -146.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1544.544013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.544013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.544013 (E_RNA)
where:
Base-Base interactions energy: -1061.296
where: short stacking energy: -432.832
Base-Backbone interact. energy: -4.579
local terms energy: -478.669502
where:
bonds (distance) C4'-P energy: -83.866
bonds (distance) P-C4' energy: -97.311
flat angles C4'-P-C4' energy: -123.154
flat angles P-C4'-P energy: -62.703
tors. eta vs tors. theta energy: -111.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1439.632231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.632231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.632231 (E_RNA)
where:
Base-Base interactions energy: -1010.408
where: short stacking energy: -403.346
Base-Backbone interact. energy: -2.193
local terms energy: -427.031806
where:
bonds (distance) C4'-P energy: -91.041
bonds (distance) P-C4' energy: -76.004
flat angles C4'-P-C4' energy: -94.360
flat angles P-C4'-P energy: -63.312
tors. eta vs tors. theta energy: -102.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1346.085702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.085702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.085702 (E_RNA)
where:
Base-Base interactions energy: -897.271
where: short stacking energy: -353.470
Base-Backbone interact. energy: -1.576
local terms energy: -447.238271
where:
bonds (distance) C4'-P energy: -91.729
bonds (distance) P-C4' energy: -95.705
flat angles C4'-P-C4' energy: -105.993
flat angles P-C4'-P energy: -59.473
tors. eta vs tors. theta energy: -94.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1028.289989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.289989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.289989 (E_RNA)
where:
Base-Base interactions energy: -650.821
where: short stacking energy: -301.356
Base-Backbone interact. energy: -2.164
local terms energy: -375.304717
where:
bonds (distance) C4'-P energy: -80.153
bonds (distance) P-C4' energy: -86.756
flat angles C4'-P-C4' energy: -81.142
flat angles P-C4'-P energy: -64.668
tors. eta vs tors. theta energy: -62.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -766.149469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.149469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.149469 (E_RNA)
where:
Base-Base interactions energy: -447.960
where: short stacking energy: -223.308
Base-Backbone interact. energy: -1.106
local terms energy: -317.083225
where:
bonds (distance) C4'-P energy: -76.817
bonds (distance) P-C4' energy: -82.951
flat angles C4'-P-C4' energy: -87.980
flat angles P-C4'-P energy: -34.469
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: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -533.012822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.012822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.012822 (E_RNA)
where:
Base-Base interactions energy: -245.598
where: short stacking energy: -141.756
Base-Backbone interact. energy: 1.663
local terms energy: -289.077801
where:
bonds (distance) C4'-P energy: -77.875
bonds (distance) P-C4' energy: -85.775
flat angles C4'-P-C4' energy: -71.793
flat angles P-C4'-P energy: -43.915
tors. eta vs tors. theta energy: -9.721
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: 1, replica: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1878.415695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.415695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.415695 (E_RNA)
where:
Base-Base interactions energy: -1311.888
where: short stacking energy: -522.453
Base-Backbone interact. energy: -1.605
local terms energy: -564.922843
where:
bonds (distance) C4'-P energy: -100.441
bonds (distance) P-C4' energy: -107.133
flat angles C4'-P-C4' energy: -128.741
flat angles P-C4'-P energy: -88.416
tors. eta vs tors. theta energy: -140.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1789.972088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.972088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.972088 (E_RNA)
where:
Base-Base interactions energy: -1240.162
where: short stacking energy: -522.381
Base-Backbone interact. energy: 1.788
local terms energy: -551.597819
where:
bonds (distance) C4'-P energy: -104.952
bonds (distance) P-C4' energy: -103.352
flat angles C4'-P-C4' energy: -121.920
flat angles P-C4'-P energy: -72.296
tors. eta vs tors. theta energy: -149.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1747.895133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.895133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.895133 (E_RNA)
where:
Base-Base interactions energy: -1223.873
where: short stacking energy: -496.006
Base-Backbone interact. energy: -0.643
local terms energy: -523.379062
where:
bonds (distance) C4'-P energy: -95.477
bonds (distance) P-C4' energy: -93.098
flat angles C4'-P-C4' energy: -115.987
flat angles P-C4'-P energy: -78.673
tors. eta vs tors. theta energy: -140.144
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: 4, replica: 5
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1670.473734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.473734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.473734 (E_RNA)
where:
Base-Base interactions energy: -1142.850
where: short stacking energy: -495.286
Base-Backbone interact. energy: -0.403
local terms energy: -527.220587
where:
bonds (distance) C4'-P energy: -94.678
bonds (distance) P-C4' energy: -90.444
flat angles C4'-P-C4' energy: -126.285
flat angles P-C4'-P energy: -82.035
tors. eta vs tors. theta energy: -133.778
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: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1546.477987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.477987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.477987 (E_RNA)
where:
Base-Base interactions energy: -1084.622
where: short stacking energy: -449.887
Base-Backbone interact. energy: -0.416
local terms energy: -461.439815
where:
bonds (distance) C4'-P energy: -94.457
bonds (distance) P-C4' energy: -80.832
flat angles C4'-P-C4' energy: -109.078
flat angles P-C4'-P energy: -61.829
tors. eta vs tors. theta energy: -115.244
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: 6
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1490.864270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.864270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.864270 (E_RNA)
where:
Base-Base interactions energy: -1015.672
where: short stacking energy: -398.652
Base-Backbone interact. energy: 1.730
local terms energy: -476.922055
where:
bonds (distance) C4'-P energy: -99.289
bonds (distance) P-C4' energy: -97.049
flat angles C4'-P-C4' energy: -106.737
flat angles P-C4'-P energy: -66.278
tors. eta vs tors. theta energy: -107.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1371.072850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.072850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.072850 (E_RNA)
where:
Base-Base interactions energy: -936.159
where: short stacking energy: -398.654
Base-Backbone interact. energy: -0.923
local terms energy: -433.991266
where:
bonds (distance) C4'-P energy: -88.893
bonds (distance) P-C4' energy: -93.480
flat angles C4'-P-C4' energy: -97.204
flat angles P-C4'-P energy: -57.826
tors. eta vs tors. theta energy: -96.588
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: 8, replica: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1007.981448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.981448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.981448 (E_RNA)
where:
Base-Base interactions energy: -632.749
where: short stacking energy: -288.086
Base-Backbone interact. energy: 1.998
local terms energy: -377.230548
where:
bonds (distance) C4'-P energy: -85.071
bonds (distance) P-C4' energy: -91.714
flat angles C4'-P-C4' energy: -96.998
flat angles P-C4'-P energy: -50.202
tors. eta vs tors. theta energy: -53.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -730.303834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.303834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.303834 (E_RNA)
where:
Base-Base interactions energy: -404.341
where: short stacking energy: -209.721
Base-Backbone interact. energy: -1.033
local terms energy: -324.929883
where:
bonds (distance) C4'-P energy: -94.717
bonds (distance) P-C4' energy: -69.429
flat angles C4'-P-C4' energy: -89.495
flat angles P-C4'-P energy: -48.523
tors. eta vs tors. theta energy: -22.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -547.770074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.770074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.770074 (E_RNA)
where:
Base-Base interactions energy: -236.959
where: short stacking energy: -153.673
Base-Backbone interact. energy: -2.237
local terms energy: -308.574163
where:
bonds (distance) C4'-P energy: -89.605
bonds (distance) P-C4' energy: -92.945
flat angles C4'-P-C4' energy: -66.022
flat angles P-C4'-P energy: -42.731
tors. eta vs tors. theta energy: -17.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1867.214588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.214588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.214588 (E_RNA)
where:
Base-Base interactions energy: -1324.789
where: short stacking energy: -525.871
Base-Backbone interact. energy: 0.249
local terms energy: -542.674597
where:
bonds (distance) C4'-P energy: -105.154
bonds (distance) P-C4' energy: -101.268
flat angles C4'-P-C4' energy: -112.413
flat angles P-C4'-P energy: -84.462
tors. eta vs tors. theta energy: -139.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1809.567197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.567197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.567197 (E_RNA)
where:
Base-Base interactions energy: -1262.529
where: short stacking energy: -545.834
Base-Backbone interact. energy: -2.240
local terms energy: -544.797543
where:
bonds (distance) C4'-P energy: -92.993
bonds (distance) P-C4' energy: -102.166
flat angles C4'-P-C4' energy: -117.107
flat angles P-C4'-P energy: -82.180
tors. eta vs tors. theta energy: -150.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1728.989492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.989492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.989492 (E_RNA)
where:
Base-Base interactions energy: -1216.534
where: short stacking energy: -503.095
Base-Backbone interact. energy: -0.926
local terms energy: -511.528666
where:
bonds (distance) C4'-P energy: -85.140
bonds (distance) P-C4' energy: -104.319
flat angles C4'-P-C4' energy: -116.154
flat angles P-C4'-P energy: -70.040
tors. eta vs tors. theta energy: -135.875
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: 4, replica: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1693.728370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.728370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.728370 (E_RNA)
where:
Base-Base interactions energy: -1169.508
where: short stacking energy: -496.510
Base-Backbone interact. energy: 0.797
local terms energy: -525.016870
where:
bonds (distance) C4'-P energy: -107.937
bonds (distance) P-C4' energy: -90.964
flat angles C4'-P-C4' energy: -113.336
flat angles P-C4'-P energy: -70.361
tors. eta vs tors. theta energy: -142.419
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: 164
Temperature: 1.100000
Total energy: -1556.452718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.452718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.452718 (E_RNA)
where:
Base-Base interactions energy: -1093.989
where: short stacking energy: -462.218
Base-Backbone interact. energy: -2.886
local terms energy: -459.577134
where:
bonds (distance) C4'-P energy: -90.693
bonds (distance) P-C4' energy: -85.658
flat angles C4'-P-C4' energy: -115.292
flat angles P-C4'-P energy: -62.088
tors. eta vs tors. theta energy: -105.846
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: 6, replica: 6
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1495.292031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.292031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.292031 (E_RNA)
where:
Base-Base interactions energy: -1054.240
where: short stacking energy: -416.760
Base-Backbone interact. energy: -3.267
local terms energy: -437.784948
where:
bonds (distance) C4'-P energy: -80.146
bonds (distance) P-C4' energy: -91.163
flat angles C4'-P-C4' energy: -106.958
flat angles P-C4'-P energy: -54.152
tors. eta vs tors. theta energy: -105.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1354.558549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.558549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.558549 (E_RNA)
where:
Base-Base interactions energy: -938.425
where: short stacking energy: -398.325
Base-Backbone interact. energy: -1.991
local terms energy: -414.142464
where:
bonds (distance) C4'-P energy: -80.931
bonds (distance) P-C4' energy: -92.620
flat angles C4'-P-C4' energy: -86.543
flat angles P-C4'-P energy: -59.379
tors. eta vs tors. theta energy: -94.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1000.697019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.697019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.697019 (E_RNA)
where:
Base-Base interactions energy: -612.897
where: short stacking energy: -282.592
Base-Backbone interact. energy: -1.927
local terms energy: -385.873144
where:
bonds (distance) C4'-P energy: -95.014
bonds (distance) P-C4' energy: -97.326
flat angles C4'-P-C4' energy: -91.508
flat angles P-C4'-P energy: -44.551
tors. eta vs tors. theta energy: -57.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -712.783382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.783382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.783382 (E_RNA)
where:
Base-Base interactions energy: -401.421
where: short stacking energy: -211.902
Base-Backbone interact. energy: -2.555
local terms energy: -308.806918
where:
bonds (distance) C4'-P energy: -90.093
bonds (distance) P-C4' energy: -81.615
flat angles C4'-P-C4' energy: -71.478
flat angles P-C4'-P energy: -35.710
tors. eta vs tors. theta energy: -29.911
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: 164
Temperature: 1.350000
Total energy: -553.374563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.374563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.374563 (E_RNA)
where:
Base-Base interactions energy: -266.943
where: short stacking energy: -143.685
Base-Backbone interact. energy: 5.061
local terms energy: -291.492186
where:
bonds (distance) C4'-P energy: -86.954
bonds (distance) P-C4' energy: -85.380
flat angles C4'-P-C4' energy: -66.048
flat angles P-C4'-P energy: -52.161
tors. eta vs tors. theta energy: -0.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1902.942772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.942772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.942772 (E_RNA)
where:
Base-Base interactions energy: -1355.603
where: short stacking energy: -543.911
Base-Backbone interact. energy: -5.538
local terms energy: -541.801961
where:
bonds (distance) C4'-P energy: -96.624
bonds (distance) P-C4' energy: -102.868
flat angles C4'-P-C4' energy: -116.976
flat angles P-C4'-P energy: -80.904
tors. eta vs tors. theta energy: -144.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1824.853373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.853373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.853373 (E_RNA)
where:
Base-Base interactions energy: -1310.838
where: short stacking energy: -533.248
Base-Backbone interact. energy: -1.524
local terms energy: -512.491478
where:
bonds (distance) C4'-P energy: -97.030
bonds (distance) P-C4' energy: -90.827
flat angles C4'-P-C4' energy: -114.300
flat angles P-C4'-P energy: -66.558
tors. eta vs tors. theta energy: -143.776
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: 165
Temperature: 1.000000
Total energy: -1719.023380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.023380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.023380 (E_RNA)
where:
Base-Base interactions energy: -1191.402
where: short stacking energy: -490.233
Base-Backbone interact. energy: -3.638
local terms energy: -523.983280
where:
bonds (distance) C4'-P energy: -104.038
bonds (distance) P-C4' energy: -107.385
flat angles C4'-P-C4' energy: -118.559
flat angles P-C4'-P energy: -67.408
tors. eta vs tors. theta energy: -126.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1691.967901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.967901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.967901 (E_RNA)
where:
Base-Base interactions energy: -1178.520
where: short stacking energy: -485.066
Base-Backbone interact. energy: 1.985
local terms energy: -515.433057
where:
bonds (distance) C4'-P energy: -98.163
bonds (distance) P-C4' energy: -99.244
flat angles C4'-P-C4' energy: -103.676
flat angles P-C4'-P energy: -80.330
tors. eta vs tors. theta energy: -134.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1585.809503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.809503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.809503 (E_RNA)
where:
Base-Base interactions energy: -1107.327
where: short stacking energy: -462.550
Base-Backbone interact. energy: 2.031
local terms energy: -480.514042
where:
bonds (distance) C4'-P energy: -85.795
bonds (distance) P-C4' energy: -97.233
flat angles C4'-P-C4' energy: -99.856
flat angles P-C4'-P energy: -68.458
tors. eta vs tors. theta energy: -129.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1489.368757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.368757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.368757 (E_RNA)
where:
Base-Base interactions energy: -1049.614
where: short stacking energy: -425.627
Base-Backbone interact. energy: -0.327
local terms energy: -439.427697
where:
bonds (distance) C4'-P energy: -81.313
bonds (distance) P-C4' energy: -92.293
flat angles C4'-P-C4' energy: -98.304
flat angles P-C4'-P energy: -59.227
tors. eta vs tors. theta energy: -108.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1318.671173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.671173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.671173 (E_RNA)
where:
Base-Base interactions energy: -902.544
where: short stacking energy: -390.172
Base-Backbone interact. energy: -0.577
local terms energy: -415.550013
where:
bonds (distance) C4'-P energy: -90.119
bonds (distance) P-C4' energy: -88.817
flat angles C4'-P-C4' energy: -87.814
flat angles P-C4'-P energy: -63.388
tors. eta vs tors. theta energy: -85.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1016.103704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.103704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.103704 (E_RNA)
where:
Base-Base interactions energy: -648.299
where: short stacking energy: -289.608
Base-Backbone interact. energy: -2.874
local terms energy: -364.930950
where:
bonds (distance) C4'-P energy: -87.884
bonds (distance) P-C4' energy: -85.154
flat angles C4'-P-C4' energy: -84.287
flat angles P-C4'-P energy: -54.006
tors. eta vs tors. theta energy: -53.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -716.105736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.105736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.105736 (E_RNA)
where:
Base-Base interactions energy: -404.405
where: short stacking energy: -219.151
Base-Backbone interact. energy: -1.978
local terms energy: -309.722652
where:
bonds (distance) C4'-P energy: -77.121
bonds (distance) P-C4' energy: -85.909
flat angles C4'-P-C4' energy: -79.664
flat angles P-C4'-P energy: -34.341
tors. eta vs tors. theta energy: -32.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -544.751147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.751147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.751147 (E_RNA)
where:
Base-Base interactions energy: -267.829
where: short stacking energy: -170.117
Base-Backbone interact. energy: -2.587
local terms energy: -274.334680
where:
bonds (distance) C4'-P energy: -67.190
bonds (distance) P-C4' energy: -101.339
flat angles C4'-P-C4' energy: -76.919
flat angles P-C4'-P energy: -37.073
tors. eta vs tors. theta energy: 8.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1905.154762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.154762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.154762 (E_RNA)
where:
Base-Base interactions energy: -1352.855
where: short stacking energy: -541.048
Base-Backbone interact. energy: -4.068
local terms energy: -548.231749
where:
bonds (distance) C4'-P energy: -109.504
bonds (distance) P-C4' energy: -97.047
flat angles C4'-P-C4' energy: -120.898
flat angles P-C4'-P energy: -76.516
tors. eta vs tors. theta energy: -144.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1797.615272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.615272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.615272 (E_RNA)
where:
Base-Base interactions energy: -1248.262
where: short stacking energy: -523.515
Base-Backbone interact. energy: -3.287
local terms energy: -546.066799
where:
bonds (distance) C4'-P energy: -109.884
bonds (distance) P-C4' energy: -108.828
flat angles C4'-P-C4' energy: -110.329
flat angles P-C4'-P energy: -73.069
tors. eta vs tors. theta energy: -143.957
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: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1781.929238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.929238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.929238 (E_RNA)
where:
Base-Base interactions energy: -1259.606
where: short stacking energy: -507.405
Base-Backbone interact. energy: -0.166
local terms energy: -522.157699
where:
bonds (distance) C4'-P energy: -79.403
bonds (distance) P-C4' energy: -108.215
flat angles C4'-P-C4' energy: -118.094
flat angles P-C4'-P energy: -81.989
tors. eta vs tors. theta energy: -134.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1653.820237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.820237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.820237 (E_RNA)
where:
Base-Base interactions energy: -1169.170
where: short stacking energy: -497.337
Base-Backbone interact. energy: -0.603
local terms energy: -484.047028
where:
bonds (distance) C4'-P energy: -94.686
bonds (distance) P-C4' energy: -85.926
flat angles C4'-P-C4' energy: -93.381
flat angles P-C4'-P energy: -74.616
tors. eta vs tors. theta energy: -135.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1539.991464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.991464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.991464 (E_RNA)
where:
Base-Base interactions energy: -1078.105
where: short stacking energy: -454.320
Base-Backbone interact. energy: 4.762
local terms energy: -466.648469
where:
bonds (distance) C4'-P energy: -85.496
bonds (distance) P-C4' energy: -96.339
flat angles C4'-P-C4' energy: -103.965
flat angles P-C4'-P energy: -71.136
tors. eta vs tors. theta energy: -109.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1520.048994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.048994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.048994 (E_RNA)
where:
Base-Base interactions energy: -1066.400
where: short stacking energy: -422.890
Base-Backbone interact. energy: -4.778
local terms energy: -448.870671
where:
bonds (distance) C4'-P energy: -87.967
bonds (distance) P-C4' energy: -86.675
flat angles C4'-P-C4' energy: -92.960
flat angles P-C4'-P energy: -79.319
tors. eta vs tors. theta energy: -101.950
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: 8
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1297.109545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.109545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.109545 (E_RNA)
where:
Base-Base interactions energy: -889.386
where: short stacking energy: -372.444
Base-Backbone interact. energy: 1.121
local terms energy: -408.844554
where:
bonds (distance) C4'-P energy: -74.079
bonds (distance) P-C4' energy: -85.121
flat angles C4'-P-C4' energy: -99.403
flat angles P-C4'-P energy: -68.032
tors. eta vs tors. theta energy: -82.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -955.566881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.566881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.566881 (E_RNA)
where:
Base-Base interactions energy: -589.784
where: short stacking energy: -269.046
Base-Backbone interact. energy: -0.573
local terms energy: -365.209798
where:
bonds (distance) C4'-P energy: -83.190
bonds (distance) P-C4' energy: -96.415
flat angles C4'-P-C4' energy: -83.584
flat angles P-C4'-P energy: -57.000
tors. eta vs tors. theta energy: -45.021
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: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -693.471092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.471092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.471092 (E_RNA)
where:
Base-Base interactions energy: -389.319
where: short stacking energy: -207.944
Base-Backbone interact. energy: 0.888
local terms energy: -305.040262
where:
bonds (distance) C4'-P energy: -65.835
bonds (distance) P-C4' energy: -107.360
flat angles C4'-P-C4' energy: -65.590
flat angles P-C4'-P energy: -50.505
tors. eta vs tors. theta energy: -15.752
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: 166
Temperature: 1.350000
Total energy: -551.386330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.386330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.386330 (E_RNA)
where:
Base-Base interactions energy: -294.474
where: short stacking energy: -166.700
Base-Backbone interact. energy: 0.716
local terms energy: -257.627885
where:
bonds (distance) C4'-P energy: -72.398
bonds (distance) P-C4' energy: -79.790
flat angles C4'-P-C4' energy: -71.365
flat angles P-C4'-P energy: -46.405
tors. eta vs tors. theta energy: 12.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1889.692955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.692955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.692955 (E_RNA)
where:
Base-Base interactions energy: -1352.293
where: short stacking energy: -551.582
Base-Backbone interact. energy: -2.190
local terms energy: -535.210160
where:
bonds (distance) C4'-P energy: -101.059
bonds (distance) P-C4' energy: -107.171
flat angles C4'-P-C4' energy: -107.271
flat angles P-C4'-P energy: -81.181
tors. eta vs tors. theta energy: -138.529
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: 2
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1805.749025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.749025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.749025 (E_RNA)
where:
Base-Base interactions energy: -1269.972
where: short stacking energy: -520.778
Base-Backbone interact. energy: -0.429
local terms energy: -535.347831
where:
bonds (distance) C4'-P energy: -98.704
bonds (distance) P-C4' energy: -109.532
flat angles C4'-P-C4' energy: -116.025
flat angles P-C4'-P energy: -76.383
tors. eta vs tors. theta energy: -134.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1775.754651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.754651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.754651 (E_RNA)
where:
Base-Base interactions energy: -1242.529
where: short stacking energy: -505.411
Base-Backbone interact. energy: -1.101
local terms energy: -532.124677
where:
bonds (distance) C4'-P energy: -98.950
bonds (distance) P-C4' energy: -96.661
flat angles C4'-P-C4' energy: -121.713
flat angles P-C4'-P energy: -70.513
tors. eta vs tors. theta energy: -144.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1682.943186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.943186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.943186 (E_RNA)
where:
Base-Base interactions energy: -1184.140
where: short stacking energy: -484.409
Base-Backbone interact. energy: -3.190
local terms energy: -495.613804
where:
bonds (distance) C4'-P energy: -97.140
bonds (distance) P-C4' energy: -76.865
flat angles C4'-P-C4' energy: -109.120
flat angles P-C4'-P energy: -74.992
tors. eta vs tors. theta energy: -137.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1525.723790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.723790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.723790 (E_RNA)
where:
Base-Base interactions energy: -1042.683
where: short stacking energy: -425.465
Base-Backbone interact. energy: -1.493
local terms energy: -481.548113
where:
bonds (distance) C4'-P energy: -93.683
bonds (distance) P-C4' energy: -104.895
flat angles C4'-P-C4' energy: -107.496
flat angles P-C4'-P energy: -65.444
tors. eta vs tors. theta energy: -110.029
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: 3
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1488.125661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.125661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.125661 (E_RNA)
where:
Base-Base interactions energy: -1053.540
where: short stacking energy: -432.934
Base-Backbone interact. energy: 0.723
local terms energy: -435.308510
where:
bonds (distance) C4'-P energy: -75.846
bonds (distance) P-C4' energy: -98.734
flat angles C4'-P-C4' energy: -94.819
flat angles P-C4'-P energy: -61.256
tors. eta vs tors. theta energy: -104.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1280.237106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.237106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.237106 (E_RNA)
where:
Base-Base interactions energy: -890.282
where: short stacking energy: -365.648
Base-Backbone interact. energy: -1.501
local terms energy: -388.453322
where:
bonds (distance) C4'-P energy: -72.393
bonds (distance) P-C4' energy: -104.519
flat angles C4'-P-C4' energy: -97.906
flat angles P-C4'-P energy: -49.825
tors. eta vs tors. theta energy: -63.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -932.090868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.090868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.090868 (E_RNA)
where:
Base-Base interactions energy: -579.942
where: short stacking energy: -261.609
Base-Backbone interact. energy: -0.575
local terms energy: -351.573198
where:
bonds (distance) C4'-P energy: -85.699
bonds (distance) P-C4' energy: -87.505
flat angles C4'-P-C4' energy: -92.592
flat angles P-C4'-P energy: -51.876
tors. eta vs tors. theta energy: -33.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -733.320806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.320806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.320806 (E_RNA)
where:
Base-Base interactions energy: -415.967
where: short stacking energy: -211.642
Base-Backbone interact. energy: 1.733
local terms energy: -319.087217
where:
bonds (distance) C4'-P energy: -79.351
bonds (distance) P-C4' energy: -98.550
flat angles C4'-P-C4' energy: -77.353
flat angles P-C4'-P energy: -49.947
tors. eta vs tors. theta energy: -13.886
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: 167
Temperature: 1.350000
Total energy: -578.425446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.425446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.425446 (E_RNA)
where:
Base-Base interactions energy: -296.578
where: short stacking energy: -177.315
Base-Backbone interact. energy: -2.373
local terms energy: -279.474371
where:
bonds (distance) C4'-P energy: -77.490
bonds (distance) P-C4' energy: -79.823
flat angles C4'-P-C4' energy: -88.078
flat angles P-C4'-P energy: -37.184
tors. eta vs tors. theta energy: 3.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1906.951164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.951164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.951164 (E_RNA)
where:
Base-Base interactions energy: -1364.775
where: short stacking energy: -546.782
Base-Backbone interact. energy: 3.378
local terms energy: -545.554532
where:
bonds (distance) C4'-P energy: -104.134
bonds (distance) P-C4' energy: -97.982
flat angles C4'-P-C4' energy: -120.285
flat angles P-C4'-P energy: -74.970
tors. eta vs tors. theta energy: -148.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1798.218792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.218792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.218792 (E_RNA)
where:
Base-Base interactions energy: -1269.249
where: short stacking energy: -500.115
Base-Backbone interact. energy: -2.536
local terms energy: -526.434257
where:
bonds (distance) C4'-P energy: -105.679
bonds (distance) P-C4' energy: -99.543
flat angles C4'-P-C4' energy: -111.638
flat angles P-C4'-P energy: -78.874
tors. eta vs tors. theta energy: -130.700
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: 4
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1754.364544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.364544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.364544 (E_RNA)
where:
Base-Base interactions energy: -1213.234
where: short stacking energy: -492.942
Base-Backbone interact. energy: -0.962
local terms energy: -540.168037
where:
bonds (distance) C4'-P energy: -100.740
bonds (distance) P-C4' energy: -104.017
flat angles C4'-P-C4' energy: -112.576
flat angles P-C4'-P energy: -74.092
tors. eta vs tors. theta energy: -148.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1646.216801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.216801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.216801 (E_RNA)
where:
Base-Base interactions energy: -1122.945
where: short stacking energy: -464.296
Base-Backbone interact. energy: -1.608
local terms energy: -521.663288
where:
bonds (distance) C4'-P energy: -101.168
bonds (distance) P-C4' energy: -96.234
flat angles C4'-P-C4' energy: -116.457
flat angles P-C4'-P energy: -74.906
tors. eta vs tors. theta energy: -132.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1545.141732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.141732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.141732 (E_RNA)
where:
Base-Base interactions energy: -1086.010
where: short stacking energy: -463.672
Base-Backbone interact. energy: 1.238
local terms energy: -460.369742
where:
bonds (distance) C4'-P energy: -82.459
bonds (distance) P-C4' energy: -85.073
flat angles C4'-P-C4' energy: -107.622
flat angles P-C4'-P energy: -63.269
tors. eta vs tors. theta energy: -121.946
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: 6, replica: 3
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1519.848512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.848512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.848512 (E_RNA)
where:
Base-Base interactions energy: -1040.869
where: short stacking energy: -435.123
Base-Backbone interact. energy: 2.407
local terms energy: -481.386388
where:
bonds (distance) C4'-P energy: -87.919
bonds (distance) P-C4' energy: -95.496
flat angles C4'-P-C4' energy: -116.488
flat angles P-C4'-P energy: -66.250
tors. eta vs tors. theta energy: -115.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1345.486847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.486847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.486847 (E_RNA)
where:
Base-Base interactions energy: -925.199
where: short stacking energy: -363.574
Base-Backbone interact. energy: -1.681
local terms energy: -418.607526
where:
bonds (distance) C4'-P energy: -101.204
bonds (distance) P-C4' energy: -73.875
flat angles C4'-P-C4' energy: -102.283
flat angles P-C4'-P energy: -58.673
tors. eta vs tors. theta energy: -82.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -968.064227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.064227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.064227 (E_RNA)
where:
Base-Base interactions energy: -618.266
where: short stacking energy: -296.636
Base-Backbone interact. energy: -1.246
local terms energy: -348.552284
where:
bonds (distance) C4'-P energy: -65.308
bonds (distance) P-C4' energy: -85.595
flat angles C4'-P-C4' energy: -91.909
flat angles P-C4'-P energy: -49.515
tors. eta vs tors. theta energy: -56.225
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: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -778.349936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.349936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.349936 (E_RNA)
where:
Base-Base interactions energy: -422.012
where: short stacking energy: -218.689
Base-Backbone interact. energy: 2.120
local terms energy: -358.458149
where:
bonds (distance) C4'-P energy: -84.328
bonds (distance) P-C4' energy: -105.671
flat angles C4'-P-C4' energy: -82.604
flat angles P-C4'-P energy: -53.504
tors. eta vs tors. theta energy: -32.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -583.009377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.009377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.009377 (E_RNA)
where:
Base-Base interactions energy: -313.023
where: short stacking energy: -174.861
Base-Backbone interact. energy: 5.098
local terms energy: -275.084792
where:
bonds (distance) C4'-P energy: -78.029
bonds (distance) P-C4' energy: -74.470
flat angles C4'-P-C4' energy: -68.645
flat angles P-C4'-P energy: -49.123
tors. eta vs tors. theta energy: -4.817
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: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1889.894348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.894348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.894348 (E_RNA)
where:
Base-Base interactions energy: -1338.927
where: short stacking energy: -543.295
Base-Backbone interact. energy: 6.330
local terms energy: -557.297716
where:
bonds (distance) C4'-P energy: -102.509
bonds (distance) P-C4' energy: -103.355
flat angles C4'-P-C4' energy: -113.770
flat angles P-C4'-P energy: -88.040
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: 2, replica: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1778.170108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.170108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.170108 (E_RNA)
where:
Base-Base interactions energy: -1237.600
where: short stacking energy: -507.010
Base-Backbone interact. energy: -1.981
local terms energy: -538.589345
where:
bonds (distance) C4'-P energy: -107.630
bonds (distance) P-C4' energy: -100.749
flat angles C4'-P-C4' energy: -117.374
flat angles P-C4'-P energy: -72.522
tors. eta vs tors. theta energy: -140.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1683.653475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.653475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.653475 (E_RNA)
where:
Base-Base interactions energy: -1171.170
where: short stacking energy: -488.481
Base-Backbone interact. energy: -5.546
local terms energy: -506.937119
where:
bonds (distance) C4'-P energy: -86.813
bonds (distance) P-C4' energy: -103.040
flat angles C4'-P-C4' energy: -120.408
flat angles P-C4'-P energy: -74.743
tors. eta vs tors. theta energy: -121.933
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: 4, replica: 5
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1668.471639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.471639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.471639 (E_RNA)
where:
Base-Base interactions energy: -1166.609
where: short stacking energy: -481.244
Base-Backbone interact. energy: -6.604
local terms energy: -495.259049
where:
bonds (distance) C4'-P energy: -87.807
bonds (distance) P-C4' energy: -88.124
flat angles C4'-P-C4' energy: -115.542
flat angles P-C4'-P energy: -72.702
tors. eta vs tors. theta energy: -131.084
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: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1511.387076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.387076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.387076 (E_RNA)
where:
Base-Base interactions energy: -1041.362
where: short stacking energy: -457.611
Base-Backbone interact. energy: 1.435
local terms energy: -471.459858
where:
bonds (distance) C4'-P energy: -85.505
bonds (distance) P-C4' energy: -98.766
flat angles C4'-P-C4' energy: -107.243
flat angles P-C4'-P energy: -57.241
tors. eta vs tors. theta energy: -122.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1506.593340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.593340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.593340 (E_RNA)
where:
Base-Base interactions energy: -1059.934
where: short stacking energy: -406.918
Base-Backbone interact. energy: 0.281
local terms energy: -446.940009
where:
bonds (distance) C4'-P energy: -91.818
bonds (distance) P-C4' energy: -84.937
flat angles C4'-P-C4' energy: -95.039
flat angles P-C4'-P energy: -72.977
tors. eta vs tors. theta energy: -102.170
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: 7, replica: 8
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1316.263105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.263105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.263105 (E_RNA)
where:
Base-Base interactions energy: -888.320
where: short stacking energy: -357.095
Base-Backbone interact. energy: -3.923
local terms energy: -424.019786
where:
bonds (distance) C4'-P energy: -94.021
bonds (distance) P-C4' energy: -88.293
flat angles C4'-P-C4' energy: -99.672
flat angles P-C4'-P energy: -58.026
tors. eta vs tors. theta energy: -84.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -942.621274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.621274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.621274 (E_RNA)
where:
Base-Base interactions energy: -592.009
where: short stacking energy: -275.802
Base-Backbone interact. energy: 1.574
local terms energy: -352.185754
where:
bonds (distance) C4'-P energy: -89.119
bonds (distance) P-C4' energy: -85.644
flat angles C4'-P-C4' energy: -93.305
flat angles P-C4'-P energy: -41.731
tors. eta vs tors. theta energy: -42.386
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: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -754.911653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.911653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.911653 (E_RNA)
where:
Base-Base interactions energy: -430.944
where: short stacking energy: -217.892
Base-Backbone interact. energy: -3.567
local terms energy: -320.400627
where:
bonds (distance) C4'-P energy: -73.031
bonds (distance) P-C4' energy: -99.681
flat angles C4'-P-C4' energy: -81.022
flat angles P-C4'-P energy: -45.746
tors. eta vs tors. theta energy: -20.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -628.744321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.744321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.744321 (E_RNA)
where:
Base-Base interactions energy: -331.520
where: short stacking energy: -204.126
Base-Backbone interact. energy: 1.183
local terms energy: -298.407394
where:
bonds (distance) C4'-P energy: -83.584
bonds (distance) P-C4' energy: -79.239
flat angles C4'-P-C4' energy: -67.450
flat angles P-C4'-P energy: -58.322
tors. eta vs tors. theta energy: -9.812
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: 170
Temperature: 0.900000
Total energy: -1909.371611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.371611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.371611 (E_RNA)
where:
Base-Base interactions energy: -1346.336
where: short stacking energy: -541.755
Base-Backbone interact. energy: 5.400
local terms energy: -568.435435
where:
bonds (distance) C4'-P energy: -104.182
bonds (distance) P-C4' energy: -112.281
flat angles C4'-P-C4' energy: -113.388
flat angles P-C4'-P energy: -83.328
tors. eta vs tors. theta energy: -155.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1773.394105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.394105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.394105 (E_RNA)
where:
Base-Base interactions energy: -1225.530
where: short stacking energy: -511.885
Base-Backbone interact. energy: -2.958
local terms energy: -544.906755
where:
bonds (distance) C4'-P energy: -96.816
bonds (distance) P-C4' energy: -113.191
flat angles C4'-P-C4' energy: -117.071
flat angles P-C4'-P energy: -84.288
tors. eta vs tors. theta energy: -133.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1700.412185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.412185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.412185 (E_RNA)
where:
Base-Base interactions energy: -1203.068
where: short stacking energy: -485.121
Base-Backbone interact. energy: -4.495
local terms energy: -492.849031
where:
bonds (distance) C4'-P energy: -93.596
bonds (distance) P-C4' energy: -97.690
flat angles C4'-P-C4' energy: -113.086
flat angles P-C4'-P energy: -63.958
tors. eta vs tors. theta energy: -124.519
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: 5
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1669.521543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.521543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.521543 (E_RNA)
where:
Base-Base interactions energy: -1166.168
where: short stacking energy: -493.833
Base-Backbone interact. energy: -0.833
local terms energy: -502.520642
where:
bonds (distance) C4'-P energy: -93.464
bonds (distance) P-C4' energy: -88.550
flat angles C4'-P-C4' energy: -116.858
flat angles P-C4'-P energy: -66.874
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: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1535.063790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.063790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.063790 (E_RNA)
where:
Base-Base interactions energy: -1052.371
where: short stacking energy: -432.626
Base-Backbone interact. energy: -5.380
local terms energy: -477.312214
where:
bonds (distance) C4'-P energy: -99.737
bonds (distance) P-C4' energy: -108.999
flat angles C4'-P-C4' energy: -94.794
flat angles P-C4'-P energy: -73.535
tors. eta vs tors. theta energy: -100.247
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: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1487.882618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.882618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.882618 (E_RNA)
where:
Base-Base interactions energy: -1029.465
where: short stacking energy: -427.433
Base-Backbone interact. energy: -3.851
local terms energy: -454.566256
where:
bonds (distance) C4'-P energy: -87.854
bonds (distance) P-C4' energy: -97.139
flat angles C4'-P-C4' energy: -97.030
flat angles P-C4'-P energy: -52.224
tors. eta vs tors. theta energy: -120.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1313.776840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.776840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.776840 (E_RNA)
where:
Base-Base interactions energy: -868.484
where: short stacking energy: -360.712
Base-Backbone interact. energy: -2.824
local terms energy: -442.468880
where:
bonds (distance) C4'-P energy: -94.178
bonds (distance) P-C4' energy: -99.133
flat angles C4'-P-C4' energy: -97.231
flat angles P-C4'-P energy: -60.300
tors. eta vs tors. theta energy: -91.627
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: 170
Temperature: 1.250000
Total energy: -969.570306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.570306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.570306 (E_RNA)
where:
Base-Base interactions energy: -618.911
where: short stacking energy: -304.189
Base-Backbone interact. energy: 6.291
local terms energy: -356.950414
where:
bonds (distance) C4'-P energy: -66.850
bonds (distance) P-C4' energy: -92.813
flat angles C4'-P-C4' energy: -100.261
flat angles P-C4'-P energy: -27.278
tors. eta vs tors. theta energy: -69.748
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: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -814.252710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.252710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.252710 (E_RNA)
where:
Base-Base interactions energy: -498.090
where: short stacking energy: -232.343
Base-Backbone interact. energy: -2.661
local terms energy: -313.501007
where:
bonds (distance) C4'-P energy: -92.503
bonds (distance) P-C4' energy: -80.959
flat angles C4'-P-C4' energy: -69.789
flat angles P-C4'-P energy: -46.602
tors. eta vs tors. theta energy: -23.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -586.495300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.495300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.495300 (E_RNA)
where:
Base-Base interactions energy: -285.032
where: short stacking energy: -162.781
Base-Backbone interact. energy: 0.133
local terms energy: -301.596442
where:
bonds (distance) C4'-P energy: -89.649
bonds (distance) P-C4' energy: -87.583
flat angles C4'-P-C4' energy: -70.632
flat angles P-C4'-P energy: -57.145
tors. eta vs tors. theta energy: 3.412
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: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1908.870054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.870054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.870054 (E_RNA)
where:
Base-Base interactions energy: -1374.188
where: short stacking energy: -549.582
Base-Backbone interact. energy: 1.146
local terms energy: -535.827625
where:
bonds (distance) C4'-P energy: -91.288
bonds (distance) P-C4' energy: -102.559
flat angles C4'-P-C4' energy: -108.991
flat angles P-C4'-P energy: -78.357
tors. eta vs tors. theta energy: -154.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1778.760886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.760886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.760886 (E_RNA)
where:
Base-Base interactions energy: -1255.608
where: short stacking energy: -513.369
Base-Backbone interact. energy: -1.342
local terms energy: -521.810851
where:
bonds (distance) C4'-P energy: -90.631
bonds (distance) P-C4' energy: -104.265
flat angles C4'-P-C4' energy: -117.255
flat angles P-C4'-P energy: -78.609
tors. eta vs tors. theta energy: -131.051
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: 4
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1757.409435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.409435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.409435 (E_RNA)
where:
Base-Base interactions energy: -1211.548
where: short stacking energy: -500.634
Base-Backbone interact. energy: -3.616
local terms energy: -542.245998
where:
bonds (distance) C4'-P energy: -102.731
bonds (distance) P-C4' energy: -96.325
flat angles C4'-P-C4' energy: -125.595
flat angles P-C4'-P energy: -76.776
tors. eta vs tors. theta energy: -140.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1693.593080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.593080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.593080 (E_RNA)
where:
Base-Base interactions energy: -1171.950
where: short stacking energy: -513.183
Base-Backbone interact. energy: 0.994
local terms energy: -522.636514
where:
bonds (distance) C4'-P energy: -88.243
bonds (distance) P-C4' energy: -97.505
flat angles C4'-P-C4' energy: -120.589
flat angles P-C4'-P energy: -73.898
tors. eta vs tors. theta energy: -142.401
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: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1503.435276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.435276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.435276 (E_RNA)
where:
Base-Base interactions energy: -1025.385
where: short stacking energy: -416.340
Base-Backbone interact. energy: -1.095
local terms energy: -476.955587
where:
bonds (distance) C4'-P energy: -96.686
bonds (distance) P-C4' energy: -90.934
flat angles C4'-P-C4' energy: -115.169
flat angles P-C4'-P energy: -59.731
tors. eta vs tors. theta energy: -114.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1528.665227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.665227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.665227 (E_RNA)
where:
Base-Base interactions energy: -1062.810
where: short stacking energy: -445.856
Base-Backbone interact. energy: -2.151
local terms energy: -463.704411
where:
bonds (distance) C4'-P energy: -86.480
bonds (distance) P-C4' energy: -101.819
flat angles C4'-P-C4' energy: -99.392
flat angles P-C4'-P energy: -61.156
tors. eta vs tors. theta energy: -114.858
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: 8
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1351.393074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.393074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.393074 (E_RNA)
where:
Base-Base interactions energy: -947.761
where: short stacking energy: -368.998
Base-Backbone interact. energy: 1.433
local terms energy: -405.065677
where:
bonds (distance) C4'-P energy: -89.631
bonds (distance) P-C4' energy: -92.185
flat angles C4'-P-C4' energy: -85.611
flat angles P-C4'-P energy: -51.845
tors. eta vs tors. theta energy: -85.794
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: 8, replica: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -952.454849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.454849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.454849 (E_RNA)
where:
Base-Base interactions energy: -588.815
where: short stacking energy: -280.269
Base-Backbone interact. energy: -1.932
local terms energy: -361.708184
where:
bonds (distance) C4'-P energy: -85.896
bonds (distance) P-C4' energy: -84.516
flat angles C4'-P-C4' energy: -92.948
flat angles P-C4'-P energy: -58.210
tors. eta vs tors. theta energy: -40.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -795.929672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.929672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.929672 (E_RNA)
where:
Base-Base interactions energy: -469.601
where: short stacking energy: -218.612
Base-Backbone interact. energy: -3.895
local terms energy: -322.433297
where:
bonds (distance) C4'-P energy: -95.950
bonds (distance) P-C4' energy: -77.083
flat angles C4'-P-C4' energy: -81.222
flat angles P-C4'-P energy: -50.254
tors. eta vs tors. theta energy: -17.925
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: 10, replica: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -545.219476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.219476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.219476 (E_RNA)
where:
Base-Base interactions energy: -266.922
where: short stacking energy: -165.979
Base-Backbone interact. energy: -0.482
local terms energy: -277.815282
where:
bonds (distance) C4'-P energy: -84.061
bonds (distance) P-C4' energy: -81.836
flat angles C4'-P-C4' energy: -81.206
flat angles P-C4'-P energy: -45.327
tors. eta vs tors. theta energy: 14.615
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: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1909.531568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.531568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.531568 (E_RNA)
where:
Base-Base interactions energy: -1352.644
where: short stacking energy: -535.741
Base-Backbone interact. energy: -0.651
local terms energy: -556.236344
where:
bonds (distance) C4'-P energy: -89.901
bonds (distance) P-C4' energy: -114.757
flat angles C4'-P-C4' energy: -118.751
flat angles P-C4'-P energy: -79.872
tors. eta vs tors. theta energy: -152.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1784.040850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.040850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.040850 (E_RNA)
where:
Base-Base interactions energy: -1277.053
where: short stacking energy: -519.263
Base-Backbone interact. energy: -3.002
local terms energy: -503.986546
where:
bonds (distance) C4'-P energy: -76.669
bonds (distance) P-C4' energy: -95.850
flat angles C4'-P-C4' energy: -113.924
flat angles P-C4'-P energy: -79.450
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: 3, replica: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1739.385443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.385443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.385443 (E_RNA)
where:
Base-Base interactions energy: -1222.991
where: short stacking energy: -501.245
Base-Backbone interact. energy: -4.415
local terms energy: -511.979281
where:
bonds (distance) C4'-P energy: -107.620
bonds (distance) P-C4' energy: -95.886
flat angles C4'-P-C4' energy: -100.567
flat angles P-C4'-P energy: -73.949
tors. eta vs tors. theta energy: -133.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1678.802572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.802572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.802572 (E_RNA)
where:
Base-Base interactions energy: -1186.318
where: short stacking energy: -465.579
Base-Backbone interact. energy: -0.294
local terms energy: -492.190584
where:
bonds (distance) C4'-P energy: -97.077
bonds (distance) P-C4' energy: -88.423
flat angles C4'-P-C4' energy: -112.292
flat angles P-C4'-P energy: -63.370
tors. eta vs tors. theta energy: -131.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1567.966018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.966018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.966018 (E_RNA)
where:
Base-Base interactions energy: -1109.914
where: short stacking energy: -452.072
Base-Backbone interact. energy: -1.776
local terms energy: -456.276556
where:
bonds (distance) C4'-P energy: -90.521
bonds (distance) P-C4' energy: -84.092
flat angles C4'-P-C4' energy: -102.453
flat angles P-C4'-P energy: -75.630
tors. eta vs tors. theta energy: -103.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1523.543775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.543775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.543775 (E_RNA)
where:
Base-Base interactions energy: -1059.198
where: short stacking energy: -439.724
Base-Backbone interact. energy: -4.067
local terms energy: -460.278856
where:
bonds (distance) C4'-P energy: -89.622
bonds (distance) P-C4' energy: -75.523
flat angles C4'-P-C4' energy: -100.806
flat angles P-C4'-P energy: -74.547
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: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1373.311321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.311321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.311321 (E_RNA)
where:
Base-Base interactions energy: -935.436
where: short stacking energy: -380.425
Base-Backbone interact. energy: -2.353
local terms energy: -435.522275
where:
bonds (distance) C4'-P energy: -79.650
bonds (distance) P-C4' energy: -91.692
flat angles C4'-P-C4' energy: -107.576
flat angles P-C4'-P energy: -60.319
tors. eta vs tors. theta energy: -96.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -906.341976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.341976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.341976 (E_RNA)
where:
Base-Base interactions energy: -552.015
where: short stacking energy: -266.418
Base-Backbone interact. energy: -1.030
local terms energy: -353.297269
where:
bonds (distance) C4'-P energy: -94.092
bonds (distance) P-C4' energy: -72.017
flat angles C4'-P-C4' energy: -90.417
flat angles P-C4'-P energy: -60.168
tors. eta vs tors. theta energy: -36.603
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: 9, replica: 9
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -735.697426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.697426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.697426 (E_RNA)
where:
Base-Base interactions energy: -412.073
where: short stacking energy: -203.328
Base-Backbone interact. energy: -0.665
local terms energy: -322.959390
where:
bonds (distance) C4'-P energy: -79.063
bonds (distance) P-C4' energy: -91.707
flat angles C4'-P-C4' energy: -79.069
flat angles P-C4'-P energy: -58.476
tors. eta vs tors. theta energy: -14.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -504.583458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.583458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.583458 (E_RNA)
where:
Base-Base interactions energy: -234.962
where: short stacking energy: -146.794
Base-Backbone interact. energy: -1.330
local terms energy: -268.290737
where:
bonds (distance) C4'-P energy: -67.017
bonds (distance) P-C4' energy: -91.114
flat angles C4'-P-C4' energy: -77.309
flat angles P-C4'-P energy: -42.225
tors. eta vs tors. theta energy: 9.375
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: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1903.369783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.369783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.369783 (E_RNA)
where:
Base-Base interactions energy: -1341.364
where: short stacking energy: -524.295
Base-Backbone interact. energy: -0.928
local terms energy: -561.078438
where:
bonds (distance) C4'-P energy: -94.141
bonds (distance) P-C4' energy: -111.469
flat angles C4'-P-C4' energy: -121.200
flat angles P-C4'-P energy: -82.460
tors. eta vs tors. theta energy: -151.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1807.877639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.877639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.877639 (E_RNA)
where:
Base-Base interactions energy: -1277.350
where: short stacking energy: -522.250
Base-Backbone interact. energy: -0.549
local terms energy: -529.978055
where:
bonds (distance) C4'-P energy: -100.216
bonds (distance) P-C4' energy: -94.704
flat angles C4'-P-C4' energy: -117.685
flat angles P-C4'-P energy: -78.662
tors. eta vs tors. theta energy: -138.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1741.113022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.113022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.113022 (E_RNA)
where:
Base-Base interactions energy: -1191.501
where: short stacking energy: -498.953
Base-Backbone interact. energy: -1.500
local terms energy: -548.111620
where:
bonds (distance) C4'-P energy: -106.051
bonds (distance) P-C4' energy: -103.577
flat angles C4'-P-C4' energy: -113.729
flat angles P-C4'-P energy: -82.998
tors. eta vs tors. theta energy: -141.757
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: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1681.603411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.603411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.603411 (E_RNA)
where:
Base-Base interactions energy: -1149.454
where: short stacking energy: -474.715
Base-Backbone interact. energy: -2.375
local terms energy: -529.774817
where:
bonds (distance) C4'-P energy: -99.293
bonds (distance) P-C4' energy: -100.985
flat angles C4'-P-C4' energy: -119.166
flat angles P-C4'-P energy: -81.100
tors. eta vs tors. theta energy: -129.230
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: 173
Temperature: 1.100000
Total energy: -1568.508732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.508732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.508732 (E_RNA)
where:
Base-Base interactions energy: -1100.437
where: short stacking energy: -441.328
Base-Backbone interact. energy: -0.398
local terms energy: -467.673409
where:
bonds (distance) C4'-P energy: -86.967
bonds (distance) P-C4' energy: -96.299
flat angles C4'-P-C4' energy: -106.862
flat angles P-C4'-P energy: -65.539
tors. eta vs tors. theta energy: -112.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1452.846480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.846480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.846480 (E_RNA)
where:
Base-Base interactions energy: -1011.005
where: short stacking energy: -397.530
Base-Backbone interact. energy: 0.337
local terms energy: -442.178839
where:
bonds (distance) C4'-P energy: -81.213
bonds (distance) P-C4' energy: -101.616
flat angles C4'-P-C4' energy: -97.099
flat angles P-C4'-P energy: -70.977
tors. eta vs tors. theta energy: -91.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1416.906890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.906890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.906890 (E_RNA)
where:
Base-Base interactions energy: -988.843
where: short stacking energy: -424.171
Base-Backbone interact. energy: -0.986
local terms energy: -427.078297
where:
bonds (distance) C4'-P energy: -71.252
bonds (distance) P-C4' energy: -93.565
flat angles C4'-P-C4' energy: -92.397
flat angles P-C4'-P energy: -66.121
tors. eta vs tors. theta energy: -103.744
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: 173
Temperature: 1.250000
Total energy: -903.912662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.912662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.912662 (E_RNA)
where:
Base-Base interactions energy: -552.887
where: short stacking energy: -258.836
Base-Backbone interact. energy: -0.670
local terms energy: -350.354945
where:
bonds (distance) C4'-P energy: -73.695
bonds (distance) P-C4' energy: -95.634
flat angles C4'-P-C4' energy: -90.238
flat angles P-C4'-P energy: -54.752
tors. eta vs tors. theta energy: -36.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -709.473531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.473531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.473531 (E_RNA)
where:
Base-Base interactions energy: -406.300
where: short stacking energy: -207.292
Base-Backbone interact. energy: 0.079
local terms energy: -303.252448
where:
bonds (distance) C4'-P energy: -95.425
bonds (distance) P-C4' energy: -82.451
flat angles C4'-P-C4' energy: -78.823
flat angles P-C4'-P energy: -39.565
tors. eta vs tors. theta energy: -6.988
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: 173
Temperature: 1.350000
Total energy: -533.712284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.712284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.712284 (E_RNA)
where:
Base-Base interactions energy: -269.738
where: short stacking energy: -155.678
Base-Backbone interact. energy: 3.989
local terms energy: -267.963912
where:
bonds (distance) C4'-P energy: -73.991
bonds (distance) P-C4' energy: -88.037
flat angles C4'-P-C4' energy: -75.317
flat angles P-C4'-P energy: -23.276
tors. eta vs tors. theta energy: -7.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1882.597554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.597554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.597554 (E_RNA)
where:
Base-Base interactions energy: -1340.602
where: short stacking energy: -542.245
Base-Backbone interact. energy: 6.314
local terms energy: -548.309712
where:
bonds (distance) C4'-P energy: -103.279
bonds (distance) P-C4' energy: -101.804
flat angles C4'-P-C4' energy: -120.220
flat angles P-C4'-P energy: -73.187
tors. eta vs tors. theta energy: -149.819
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: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1790.828423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.828423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.828423 (E_RNA)
where:
Base-Base interactions energy: -1287.812
where: short stacking energy: -519.708
Base-Backbone interact. energy: -1.404
local terms energy: -501.611466
where:
bonds (distance) C4'-P energy: -99.499
bonds (distance) P-C4' energy: -80.503
flat angles C4'-P-C4' energy: -117.861
flat angles P-C4'-P energy: -74.285
tors. eta vs tors. theta energy: -129.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1726.367452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.367452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.367452 (E_RNA)
where:
Base-Base interactions energy: -1226.359
where: short stacking energy: -498.046
Base-Backbone interact. energy: 0.963
local terms energy: -500.971354
where:
bonds (distance) C4'-P energy: -103.416
bonds (distance) P-C4' energy: -101.387
flat angles C4'-P-C4' energy: -108.236
flat angles P-C4'-P energy: -56.077
tors. eta vs tors. theta energy: -131.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1644.182757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.182757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.182757 (E_RNA)
where:
Base-Base interactions energy: -1152.336
where: short stacking energy: -473.525
Base-Backbone interact. energy: -0.142
local terms energy: -491.704846
where:
bonds (distance) C4'-P energy: -87.916
bonds (distance) P-C4' energy: -92.888
flat angles C4'-P-C4' energy: -118.637
flat angles P-C4'-P energy: -68.356
tors. eta vs tors. theta energy: -123.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1592.568502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.568502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.568502 (E_RNA)
where:
Base-Base interactions energy: -1136.662
where: short stacking energy: -467.988
Base-Backbone interact. energy: -1.560
local terms energy: -454.345918
where:
bonds (distance) C4'-P energy: -88.486
bonds (distance) P-C4' energy: -82.705
flat angles C4'-P-C4' energy: -97.371
flat angles P-C4'-P energy: -64.387
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: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1510.372100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.372100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.372100 (E_RNA)
where:
Base-Base interactions energy: -1044.319
where: short stacking energy: -443.644
Base-Backbone interact. energy: 0.743
local terms energy: -466.795680
where:
bonds (distance) C4'-P energy: -93.210
bonds (distance) P-C4' energy: -86.553
flat angles C4'-P-C4' energy: -111.556
flat angles P-C4'-P energy: -66.057
tors. eta vs tors. theta energy: -109.420
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: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1414.249978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.249978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.249978 (E_RNA)
where:
Base-Base interactions energy: -981.833
where: short stacking energy: -416.434
Base-Backbone interact. energy: -1.568
local terms energy: -430.849814
where:
bonds (distance) C4'-P energy: -83.788
bonds (distance) P-C4' energy: -80.147
flat angles C4'-P-C4' energy: -92.185
flat angles P-C4'-P energy: -72.984
tors. eta vs tors. theta energy: -101.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -934.893356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.893356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.893356 (E_RNA)
where:
Base-Base interactions energy: -557.876
where: short stacking energy: -249.057
Base-Backbone interact. energy: -0.698
local terms energy: -376.320057
where:
bonds (distance) C4'-P energy: -92.514
bonds (distance) P-C4' energy: -89.855
flat angles C4'-P-C4' energy: -87.973
flat angles P-C4'-P energy: -63.064
tors. eta vs tors. theta energy: -42.914
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: 9
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -709.608153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.608153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.608153 (E_RNA)
where:
Base-Base interactions energy: -370.750
where: short stacking energy: -187.006
Base-Backbone interact. energy: 2.296
local terms energy: -341.154031
where:
bonds (distance) C4'-P energy: -71.334
bonds (distance) P-C4' energy: -105.992
flat angles C4'-P-C4' energy: -78.087
flat angles P-C4'-P energy: -65.477
tors. eta vs tors. theta energy: -20.265
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: 174
Temperature: 1.350000
Total energy: -568.318038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.318038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.318038 (E_RNA)
where:
Base-Base interactions energy: -272.693
where: short stacking energy: -154.793
Base-Backbone interact. energy: 0.883
local terms energy: -296.508685
where:
bonds (distance) C4'-P energy: -99.382
bonds (distance) P-C4' energy: -94.230
flat angles C4'-P-C4' energy: -78.517
flat angles P-C4'-P energy: -33.584
tors. eta vs tors. theta energy: 9.205
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: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1897.010567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.010567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.010567 (E_RNA)
where:
Base-Base interactions energy: -1350.642
where: short stacking energy: -538.026
Base-Backbone interact. energy: 0.911
local terms energy: -547.279240
where:
bonds (distance) C4'-P energy: -93.181
bonds (distance) P-C4' energy: -109.160
flat angles C4'-P-C4' energy: -115.894
flat angles P-C4'-P energy: -82.113
tors. eta vs tors. theta energy: -146.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1815.303308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.303308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.303308 (E_RNA)
where:
Base-Base interactions energy: -1271.893
where: short stacking energy: -522.161
Base-Backbone interact. energy: -2.017
local terms energy: -541.392832
where:
bonds (distance) C4'-P energy: -103.424
bonds (distance) P-C4' energy: -100.697
flat angles C4'-P-C4' energy: -121.572
flat angles P-C4'-P energy: -80.346
tors. eta vs tors. theta energy: -135.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1680.203674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.203674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.203674 (E_RNA)
where:
Base-Base interactions energy: -1179.293
where: short stacking energy: -469.941
Base-Backbone interact. energy: -2.074
local terms energy: -498.837216
where:
bonds (distance) C4'-P energy: -92.535
bonds (distance) P-C4' energy: -107.172
flat angles C4'-P-C4' energy: -101.657
flat angles P-C4'-P energy: -70.524
tors. eta vs tors. theta energy: -126.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1652.668133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.668133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.668133 (E_RNA)
where:
Base-Base interactions energy: -1137.411
where: short stacking energy: -474.052
Base-Backbone interact. energy: -1.718
local terms energy: -513.538526
where:
bonds (distance) C4'-P energy: -97.544
bonds (distance) P-C4' energy: -95.287
flat angles C4'-P-C4' energy: -119.423
flat angles P-C4'-P energy: -75.128
tors. eta vs tors. theta energy: -126.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1551.097566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.097566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.097566 (E_RNA)
where:
Base-Base interactions energy: -1092.176
where: short stacking energy: -441.277
Base-Backbone interact. energy: -1.737
local terms energy: -457.184516
where:
bonds (distance) C4'-P energy: -75.481
bonds (distance) P-C4' energy: -92.520
flat angles C4'-P-C4' energy: -107.778
flat angles P-C4'-P energy: -72.838
tors. eta vs tors. theta energy: -108.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1499.748308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.748308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.748308 (E_RNA)
where:
Base-Base interactions energy: -1035.256
where: short stacking energy: -445.809
Base-Backbone interact. energy: 0.665
local terms energy: -465.157524
where:
bonds (distance) C4'-P energy: -76.596
bonds (distance) P-C4' energy: -106.454
flat angles C4'-P-C4' energy: -98.798
flat angles P-C4'-P energy: -65.097
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: 7, replica: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1391.725275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.725275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.725275 (E_RNA)
where:
Base-Base interactions energy: -947.378
where: short stacking energy: -418.442
Base-Backbone interact. energy: 1.480
local terms energy: -445.827804
where:
bonds (distance) C4'-P energy: -96.763
bonds (distance) P-C4' energy: -89.462
flat angles C4'-P-C4' energy: -98.785
flat angles P-C4'-P energy: -63.800
tors. eta vs tors. theta energy: -97.017
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: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -922.878909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.878909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.878909 (E_RNA)
where:
Base-Base interactions energy: -552.176
where: short stacking energy: -264.657
Base-Backbone interact. energy: -1.377
local terms energy: -369.326545
where:
bonds (distance) C4'-P energy: -87.455
bonds (distance) P-C4' energy: -95.971
flat angles C4'-P-C4' energy: -90.517
flat angles P-C4'-P energy: -45.494
tors. eta vs tors. theta energy: -49.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -733.478604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.478604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.478604 (E_RNA)
where:
Base-Base interactions energy: -427.034
where: short stacking energy: -226.744
Base-Backbone interact. energy: -1.531
local terms energy: -304.913185
where:
bonds (distance) C4'-P energy: -78.271
bonds (distance) P-C4' energy: -89.146
flat angles C4'-P-C4' energy: -61.828
flat angles P-C4'-P energy: -50.204
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: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -566.881011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.881011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.881011 (E_RNA)
where:
Base-Base interactions energy: -287.606
where: short stacking energy: -147.895
Base-Backbone interact. energy: -4.383
local terms energy: -274.892139
where:
bonds (distance) C4'-P energy: -81.046
bonds (distance) P-C4' energy: -92.190
flat angles C4'-P-C4' energy: -57.242
flat angles P-C4'-P energy: -44.295
tors. eta vs tors. theta energy: -0.120
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: 176
Temperature: 0.900000
Total energy: -1896.282180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.282180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.282180 (E_RNA)
where:
Base-Base interactions energy: -1343.252
where: short stacking energy: -541.090
Base-Backbone interact. energy: 0.015
local terms energy: -553.045129
where:
bonds (distance) C4'-P energy: -115.485
bonds (distance) P-C4' energy: -96.983
flat angles C4'-P-C4' energy: -113.156
flat angles P-C4'-P energy: -76.820
tors. eta vs tors. theta energy: -150.601
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: 176
Temperature: 0.950000
Total energy: -1822.304228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.304228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.304228 (E_RNA)
where:
Base-Base interactions energy: -1285.896
where: short stacking energy: -516.459
Base-Backbone interact. energy: 0.416
local terms energy: -536.824537
where:
bonds (distance) C4'-P energy: -95.646
bonds (distance) P-C4' energy: -100.368
flat angles C4'-P-C4' energy: -119.450
flat angles P-C4'-P energy: -83.145
tors. eta vs tors. theta energy: -138.215
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: 3, replica: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1662.237850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.237850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.237850 (E_RNA)
where:
Base-Base interactions energy: -1159.239
where: short stacking energy: -477.649
Base-Backbone interact. energy: 2.196
local terms energy: -505.194459
where:
bonds (distance) C4'-P energy: -103.183
bonds (distance) P-C4' energy: -92.225
flat angles C4'-P-C4' energy: -106.386
flat angles P-C4'-P energy: -81.065
tors. eta vs tors. theta energy: -122.335
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: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1667.338299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.338299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.338299 (E_RNA)
where:
Base-Base interactions energy: -1169.336
where: short stacking energy: -496.581
Base-Backbone interact. energy: 0.658
local terms energy: -498.660398
where:
bonds (distance) C4'-P energy: -100.227
bonds (distance) P-C4' energy: -92.970
flat angles C4'-P-C4' energy: -105.659
flat angles P-C4'-P energy: -69.104
tors. eta vs tors. theta energy: -130.701
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: 176
Temperature: 1.100000
Total energy: -1594.539685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.539685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.539685 (E_RNA)
where:
Base-Base interactions energy: -1094.792
where: short stacking energy: -476.177
Base-Backbone interact. energy: -1.868
local terms energy: -497.878961
where:
bonds (distance) C4'-P energy: -88.450
bonds (distance) P-C4' energy: -100.283
flat angles C4'-P-C4' energy: -101.032
flat angles P-C4'-P energy: -72.478
tors. eta vs tors. theta energy: -135.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1468.079344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.079344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.079344 (E_RNA)
where:
Base-Base interactions energy: -1029.380
where: short stacking energy: -421.058
Base-Backbone interact. energy: -0.441
local terms energy: -438.258760
where:
bonds (distance) C4'-P energy: -93.581
bonds (distance) P-C4' energy: -79.865
flat angles C4'-P-C4' energy: -107.221
flat angles P-C4'-P energy: -51.213
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: 7, replica: 8
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1321.047572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.047572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.047572 (E_RNA)
where:
Base-Base interactions energy: -889.827
where: short stacking energy: -398.058
Base-Backbone interact. energy: 3.816
local terms energy: -435.036871
where:
bonds (distance) C4'-P energy: -84.999
bonds (distance) P-C4' energy: -87.357
flat angles C4'-P-C4' energy: -101.509
flat angles P-C4'-P energy: -60.944
tors. eta vs tors. theta energy: -100.227
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: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -947.813188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.813188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.813188 (E_RNA)
where:
Base-Base interactions energy: -576.630
where: short stacking energy: -263.610
Base-Backbone interact. energy: -2.262
local terms energy: -368.920919
where:
bonds (distance) C4'-P energy: -66.932
bonds (distance) P-C4' energy: -85.342
flat angles C4'-P-C4' energy: -102.755
flat angles P-C4'-P energy: -70.024
tors. eta vs tors. theta energy: -43.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -617.878504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.878504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.878504 (E_RNA)
where:
Base-Base interactions energy: -318.594
where: short stacking energy: -188.240
Base-Backbone interact. energy: 9.055
local terms energy: -308.339473
where:
bonds (distance) C4'-P energy: -88.145
bonds (distance) P-C4' energy: -74.153
flat angles C4'-P-C4' energy: -78.039
flat angles P-C4'-P energy: -44.310
tors. eta vs tors. theta energy: -23.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -657.691888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.691888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.691888 (E_RNA)
where:
Base-Base interactions energy: -356.296
where: short stacking energy: -189.065
Base-Backbone interact. energy: -2.341
local terms energy: -299.055111
where:
bonds (distance) C4'-P energy: -90.091
bonds (distance) P-C4' energy: -83.350
flat angles C4'-P-C4' energy: -77.163
flat angles P-C4'-P energy: -38.096
tors. eta vs tors. theta energy: -10.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1857.491633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.491633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.491633 (E_RNA)
where:
Base-Base interactions energy: -1291.383
where: short stacking energy: -526.006
Base-Backbone interact. energy: 3.164
local terms energy: -569.273215
where:
bonds (distance) C4'-P energy: -110.680
bonds (distance) P-C4' energy: -106.065
flat angles C4'-P-C4' energy: -116.660
flat angles P-C4'-P energy: -86.139
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: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1806.123525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.123525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.123525 (E_RNA)
where:
Base-Base interactions energy: -1273.709
where: short stacking energy: -511.299
Base-Backbone interact. energy: -4.292
local terms energy: -528.123282
where:
bonds (distance) C4'-P energy: -101.713
bonds (distance) P-C4' energy: -108.890
flat angles C4'-P-C4' energy: -100.576
flat angles P-C4'-P energy: -70.148
tors. eta vs tors. theta energy: -146.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1695.975100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.975100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.975100 (E_RNA)
where:
Base-Base interactions energy: -1180.755
where: short stacking energy: -503.187
Base-Backbone interact. energy: -0.200
local terms energy: -515.019957
where:
bonds (distance) C4'-P energy: -102.484
bonds (distance) P-C4' energy: -101.226
flat angles C4'-P-C4' energy: -108.006
flat angles P-C4'-P energy: -69.027
tors. eta vs tors. theta energy: -134.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1705.720703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.720703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.720703 (E_RNA)
where:
Base-Base interactions energy: -1201.929
where: short stacking energy: -487.342
Base-Backbone interact. energy: -1.842
local terms energy: -501.950003
where:
bonds (distance) C4'-P energy: -89.433
bonds (distance) P-C4' energy: -101.126
flat angles C4'-P-C4' energy: -108.974
flat angles P-C4'-P energy: -65.487
tors. eta vs tors. theta energy: -136.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1575.287110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.287110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.287110 (E_RNA)
where:
Base-Base interactions energy: -1067.254
where: short stacking energy: -466.015
Base-Backbone interact. energy: -1.633
local terms energy: -506.400765
where:
bonds (distance) C4'-P energy: -92.635
bonds (distance) P-C4' energy: -91.726
flat angles C4'-P-C4' energy: -110.604
flat angles P-C4'-P energy: -75.912
tors. eta vs tors. theta energy: -135.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1446.917312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.917312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.917312 (E_RNA)
where:
Base-Base interactions energy: -995.636
where: short stacking energy: -418.865
Base-Backbone interact. energy: 1.074
local terms energy: -452.355168
where:
bonds (distance) C4'-P energy: -90.273
bonds (distance) P-C4' energy: -87.606
flat angles C4'-P-C4' energy: -108.013
flat angles P-C4'-P energy: -66.779
tors. eta vs tors. theta energy: -99.684
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: 7, replica: 8
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1315.205888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.205888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.205888 (E_RNA)
where:
Base-Base interactions energy: -885.277
where: short stacking energy: -396.931
Base-Backbone interact. energy: -0.332
local terms energy: -429.597122
where:
bonds (distance) C4'-P energy: -77.122
bonds (distance) P-C4' energy: -81.882
flat angles C4'-P-C4' energy: -105.801
flat angles P-C4'-P energy: -66.526
tors. eta vs tors. theta energy: -98.267
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: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -976.190654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.190654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.190654 (E_RNA)
where:
Base-Base interactions energy: -634.572
where: short stacking energy: -302.202
Base-Backbone interact. energy: -1.462
local terms energy: -340.157115
where:
bonds (distance) C4'-P energy: -69.038
bonds (distance) P-C4' energy: -72.924
flat angles C4'-P-C4' energy: -83.317
flat angles P-C4'-P energy: -54.522
tors. eta vs tors. theta energy: -60.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -618.570551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.570551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.570551 (E_RNA)
where:
Base-Base interactions energy: -340.052
where: short stacking energy: -205.178
Base-Backbone interact. energy: -3.996
local terms energy: -274.522358
where:
bonds (distance) C4'-P energy: -64.071
bonds (distance) P-C4' energy: -92.012
flat angles C4'-P-C4' energy: -83.063
flat angles P-C4'-P energy: -34.905
tors. eta vs tors. theta energy: -0.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -675.339844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.339844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.339844 (E_RNA)
where:
Base-Base interactions energy: -370.807
where: short stacking energy: -188.586
Base-Backbone interact. energy: -1.730
local terms energy: -302.802152
where:
bonds (distance) C4'-P energy: -72.887
bonds (distance) P-C4' energy: -79.110
flat angles C4'-P-C4' energy: -80.939
flat angles P-C4'-P energy: -56.035
tors. eta vs tors. theta energy: -13.832
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: 178
Temperature: 0.900000
Total energy: -1889.254215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.254215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.254215 (E_RNA)
where:
Base-Base interactions energy: -1344.283
where: short stacking energy: -554.619
Base-Backbone interact. energy: 2.094
local terms energy: -547.064769
where:
bonds (distance) C4'-P energy: -87.558
bonds (distance) P-C4' energy: -109.327
flat angles C4'-P-C4' energy: -124.848
flat angles P-C4'-P energy: -78.188
tors. eta vs tors. theta energy: -147.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1834.607930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.607930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.607930 (E_RNA)
where:
Base-Base interactions energy: -1295.834
where: short stacking energy: -534.993
Base-Backbone interact. energy: -2.810
local terms energy: -535.963844
where:
bonds (distance) C4'-P energy: -106.941
bonds (distance) P-C4' energy: -105.460
flat angles C4'-P-C4' energy: -109.980
flat angles P-C4'-P energy: -78.260
tors. eta vs tors. theta energy: -135.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1707.624542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.624542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.624542 (E_RNA)
where:
Base-Base interactions energy: -1222.909
where: short stacking energy: -499.003
Base-Backbone interact. energy: 0.025
local terms energy: -484.739824
where:
bonds (distance) C4'-P energy: -77.799
bonds (distance) P-C4' energy: -99.174
flat angles C4'-P-C4' energy: -100.657
flat angles P-C4'-P energy: -70.886
tors. eta vs tors. theta energy: -136.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1684.327557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.327557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.327557 (E_RNA)
where:
Base-Base interactions energy: -1182.341
where: short stacking energy: -491.421
Base-Backbone interact. energy: -3.230
local terms energy: -498.756002
where:
bonds (distance) C4'-P energy: -83.893
bonds (distance) P-C4' energy: -84.397
flat angles C4'-P-C4' energy: -114.706
flat angles P-C4'-P energy: -72.765
tors. eta vs tors. theta energy: -142.995
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: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1571.245342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.245342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.245342 (E_RNA)
where:
Base-Base interactions energy: -1073.487
where: short stacking energy: -450.222
Base-Backbone interact. energy: -2.423
local terms energy: -495.335166
where:
bonds (distance) C4'-P energy: -93.353
bonds (distance) P-C4' energy: -98.445
flat angles C4'-P-C4' energy: -113.236
flat angles P-C4'-P energy: -73.881
tors. eta vs tors. theta energy: -116.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1482.316991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.316991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.316991 (E_RNA)
where:
Base-Base interactions energy: -1036.793
where: short stacking energy: -437.889
Base-Backbone interact. energy: -1.836
local terms energy: -443.688121
where:
bonds (distance) C4'-P energy: -65.873
bonds (distance) P-C4' energy: -93.982
flat angles C4'-P-C4' energy: -101.512
flat angles P-C4'-P energy: -64.073
tors. eta vs tors. theta energy: -118.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1352.678582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.678582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.678582 (E_RNA)
where:
Base-Base interactions energy: -938.348
where: short stacking energy: -407.503
Base-Backbone interact. energy: -1.564
local terms energy: -412.765949
where:
bonds (distance) C4'-P energy: -70.890
bonds (distance) P-C4' energy: -97.409
flat angles C4'-P-C4' energy: -97.063
flat angles P-C4'-P energy: -63.965
tors. eta vs tors. theta energy: -83.439
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: 178
Temperature: 1.250000
Total energy: -998.240164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.240164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.240164 (E_RNA)
where:
Base-Base interactions energy: -605.278
where: short stacking energy: -275.266
Base-Backbone interact. energy: 0.557
local terms energy: -393.519641
where:
bonds (distance) C4'-P energy: -89.144
bonds (distance) P-C4' energy: -103.602
flat angles C4'-P-C4' energy: -96.176
flat angles P-C4'-P energy: -49.724
tors. eta vs tors. theta energy: -54.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -723.153914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.153914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.153914 (E_RNA)
where:
Base-Base interactions energy: -388.289
where: short stacking energy: -219.594
Base-Backbone interact. energy: -0.179
local terms energy: -334.685945
where:
bonds (distance) C4'-P energy: -79.662
bonds (distance) P-C4' energy: -82.318
flat angles C4'-P-C4' energy: -95.990
flat angles P-C4'-P energy: -49.509
tors. eta vs tors. theta energy: -27.207
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: 178
Temperature: 1.350000
Total energy: -561.102181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.102181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.102181 (E_RNA)
where:
Base-Base interactions energy: -266.447
where: short stacking energy: -166.737
Base-Backbone interact. energy: 4.709
local terms energy: -299.363781
where:
bonds (distance) C4'-P energy: -75.828
bonds (distance) P-C4' energy: -85.511
flat angles C4'-P-C4' energy: -86.033
flat angles P-C4'-P energy: -39.615
tors. eta vs tors. theta energy: -12.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1896.198115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.198115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.198115 (E_RNA)
where:
Base-Base interactions energy: -1344.750
where: short stacking energy: -533.802
Base-Backbone interact. energy: -1.699
local terms energy: -549.749094
where:
bonds (distance) C4'-P energy: -98.176
bonds (distance) P-C4' energy: -108.434
flat angles C4'-P-C4' energy: -120.106
flat angles P-C4'-P energy: -78.776
tors. eta vs tors. theta energy: -144.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1805.257206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.257206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.257206 (E_RNA)
where:
Base-Base interactions energy: -1288.981
where: short stacking energy: -524.274
Base-Backbone interact. energy: -3.337
local terms energy: -512.940005
where:
bonds (distance) C4'-P energy: -94.045
bonds (distance) P-C4' energy: -104.391
flat angles C4'-P-C4' energy: -103.601
flat angles P-C4'-P energy: -78.254
tors. eta vs tors. theta energy: -132.649
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: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1737.288824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.288824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.288824 (E_RNA)
where:
Base-Base interactions energy: -1234.675
where: short stacking energy: -513.098
Base-Backbone interact. energy: 0.086
local terms energy: -502.698944
where:
bonds (distance) C4'-P energy: -80.133
bonds (distance) P-C4' energy: -95.968
flat angles C4'-P-C4' energy: -113.754
flat angles P-C4'-P energy: -73.298
tors. eta vs tors. theta energy: -139.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1677.348080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.348080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.348080 (E_RNA)
where:
Base-Base interactions energy: -1170.633
where: short stacking energy: -505.091
Base-Backbone interact. energy: -2.094
local terms energy: -504.620967
where:
bonds (distance) C4'-P energy: -82.420
bonds (distance) P-C4' energy: -101.119
flat angles C4'-P-C4' energy: -97.011
flat angles P-C4'-P energy: -77.912
tors. eta vs tors. theta energy: -146.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1576.337333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.337333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.337333 (E_RNA)
where:
Base-Base interactions energy: -1094.525
where: short stacking energy: -476.812
Base-Backbone interact. energy: 0.397
local terms energy: -482.209477
where:
bonds (distance) C4'-P energy: -85.339
bonds (distance) P-C4' energy: -92.307
flat angles C4'-P-C4' energy: -107.378
flat angles P-C4'-P energy: -71.350
tors. eta vs tors. theta energy: -125.834
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: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1484.180056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.180056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.180056 (E_RNA)
where:
Base-Base interactions energy: -1052.069
where: short stacking energy: -460.255
Base-Backbone interact. energy: -1.093
local terms energy: -431.018071
where:
bonds (distance) C4'-P energy: -85.952
bonds (distance) P-C4' energy: -79.518
flat angles C4'-P-C4' energy: -99.024
flat angles P-C4'-P energy: -48.339
tors. eta vs tors. theta energy: -118.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1330.172872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.172872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.172872 (E_RNA)
where:
Base-Base interactions energy: -890.988
where: short stacking energy: -348.794
Base-Backbone interact. energy: -1.131
local terms energy: -438.053733
where:
bonds (distance) C4'-P energy: -88.062
bonds (distance) P-C4' energy: -92.044
flat angles C4'-P-C4' energy: -93.440
flat angles P-C4'-P energy: -81.638
tors. eta vs tors. theta energy: -82.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -986.837988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.837988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.837988 (E_RNA)
where:
Base-Base interactions energy: -597.040
where: short stacking energy: -269.478
Base-Backbone interact. energy: -0.395
local terms energy: -389.402607
where:
bonds (distance) C4'-P energy: -91.723
bonds (distance) P-C4' energy: -85.247
flat angles C4'-P-C4' energy: -93.256
flat angles P-C4'-P energy: -67.167
tors. eta vs tors. theta energy: -52.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -778.643271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.643271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.643271 (E_RNA)
where:
Base-Base interactions energy: -472.638
where: short stacking energy: -228.368
Base-Backbone interact. energy: -1.993
local terms energy: -304.013031
where:
bonds (distance) C4'-P energy: -82.146
bonds (distance) P-C4' energy: -80.646
flat angles C4'-P-C4' energy: -62.150
flat angles P-C4'-P energy: -53.928
tors. eta vs tors. theta energy: -25.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -594.281217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.281217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.281217 (E_RNA)
where:
Base-Base interactions energy: -327.759
where: short stacking energy: -215.928
Base-Backbone interact. energy: -1.079
local terms energy: -265.443088
where:
bonds (distance) C4'-P energy: -63.274
bonds (distance) P-C4' energy: -80.318
flat angles C4'-P-C4' energy: -64.852
flat angles P-C4'-P energy: -42.848
tors. eta vs tors. theta energy: -14.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1896.124087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.124087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.124087 (E_RNA)
where:
Base-Base interactions energy: -1355.896
where: short stacking energy: -559.662
Base-Backbone interact. energy: 2.270
local terms energy: -542.498093
where:
bonds (distance) C4'-P energy: -94.626
bonds (distance) P-C4' energy: -103.259
flat angles C4'-P-C4' energy: -120.380
flat angles P-C4'-P energy: -77.833
tors. eta vs tors. theta energy: -146.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1791.777652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.777652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.777652 (E_RNA)
where:
Base-Base interactions energy: -1255.579
where: short stacking energy: -512.251
Base-Backbone interact. energy: -4.687
local terms energy: -531.511729
where:
bonds (distance) C4'-P energy: -83.844
bonds (distance) P-C4' energy: -103.236
flat angles C4'-P-C4' energy: -123.009
flat angles P-C4'-P energy: -81.768
tors. eta vs tors. theta energy: -139.655
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: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1719.834061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.834061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.834061 (E_RNA)
where:
Base-Base interactions energy: -1203.785
where: short stacking energy: -496.513
Base-Backbone interact. energy: -1.228
local terms energy: -514.820932
where:
bonds (distance) C4'-P energy: -91.929
bonds (distance) P-C4' energy: -101.484
flat angles C4'-P-C4' energy: -112.858
flat angles P-C4'-P energy: -67.464
tors. eta vs tors. theta energy: -141.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1686.149224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.149224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.149224 (E_RNA)
where:
Base-Base interactions energy: -1167.806
where: short stacking energy: -503.261
Base-Backbone interact. energy: -2.947
local terms energy: -515.396400
where:
bonds (distance) C4'-P energy: -89.003
bonds (distance) P-C4' energy: -94.880
flat angles C4'-P-C4' energy: -125.290
flat angles P-C4'-P energy: -74.102
tors. eta vs tors. theta energy: -132.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1605.059254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.059254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.059254 (E_RNA)
where:
Base-Base interactions energy: -1107.686
where: short stacking energy: -479.270
Base-Backbone interact. energy: -1.000
local terms energy: -496.373207
where:
bonds (distance) C4'-P energy: -90.936
bonds (distance) P-C4' energy: -94.862
flat angles C4'-P-C4' energy: -99.551
flat angles P-C4'-P energy: -69.900
tors. eta vs tors. theta energy: -141.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1467.778039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.778039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.778039 (E_RNA)
where:
Base-Base interactions energy: -1017.924
where: short stacking energy: -433.522
Base-Backbone interact. energy: 0.997
local terms energy: -450.850962
where:
bonds (distance) C4'-P energy: -85.188
bonds (distance) P-C4' energy: -91.542
flat angles C4'-P-C4' energy: -101.489
flat angles P-C4'-P energy: -58.914
tors. eta vs tors. theta energy: -113.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1294.913319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.913319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.913319 (E_RNA)
where:
Base-Base interactions energy: -875.284
where: short stacking energy: -375.515
Base-Backbone interact. energy: 0.216
local terms energy: -419.845518
where:
bonds (distance) C4'-P energy: -89.137
bonds (distance) P-C4' energy: -93.243
flat angles C4'-P-C4' energy: -102.257
flat angles P-C4'-P energy: -62.559
tors. eta vs tors. theta energy: -72.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -998.335401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.335401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.335401 (E_RNA)
where:
Base-Base interactions energy: -639.353
where: short stacking energy: -288.969
Base-Backbone interact. energy: -3.594
local terms energy: -355.388110
where:
bonds (distance) C4'-P energy: -85.657
bonds (distance) P-C4' energy: -95.710
flat angles C4'-P-C4' energy: -77.667
flat angles P-C4'-P energy: -57.345
tors. eta vs tors. theta energy: -39.008
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: 9
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -720.786258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.786258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.786258 (E_RNA)
where:
Base-Base interactions energy: -408.666
where: short stacking energy: -225.103
Base-Backbone interact. energy: -1.666
local terms energy: -310.454102
where:
bonds (distance) C4'-P energy: -91.865
bonds (distance) P-C4' energy: -77.972
flat angles C4'-P-C4' energy: -85.589
flat angles P-C4'-P energy: -36.477
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -584.972833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.972833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.972833 (E_RNA)
where:
Base-Base interactions energy: -313.462
where: short stacking energy: -191.052
Base-Backbone interact. energy: -0.016
local terms energy: -271.494737
where:
bonds (distance) C4'-P energy: -57.712
bonds (distance) P-C4' energy: -94.731
flat angles C4'-P-C4' energy: -75.299
flat angles P-C4'-P energy: -44.873
tors. eta vs tors. theta energy: 1.120
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: 181
Temperature: 0.900000
Total energy: -1881.702525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.702525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.702525 (E_RNA)
where:
Base-Base interactions energy: -1323.112
where: short stacking energy: -534.360
Base-Backbone interact. energy: 2.277
local terms energy: -560.867766
where:
bonds (distance) C4'-P energy: -108.183
bonds (distance) P-C4' energy: -100.477
flat angles C4'-P-C4' energy: -125.399
flat angles P-C4'-P energy: -76.357
tors. eta vs tors. theta energy: -150.452
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: 181
Temperature: 0.950000
Total energy: -1789.106662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.106662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.106662 (E_RNA)
where:
Base-Base interactions energy: -1268.586
where: short stacking energy: -510.047
Base-Backbone interact. energy: 0.257
local terms energy: -520.777383
where:
bonds (distance) C4'-P energy: -91.963
bonds (distance) P-C4' energy: -104.692
flat angles C4'-P-C4' energy: -113.999
flat angles P-C4'-P energy: -72.106
tors. eta vs tors. theta energy: -138.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1697.917251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.917251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.917251 (E_RNA)
where:
Base-Base interactions energy: -1190.366
where: short stacking energy: -514.261
Base-Backbone interact. energy: 1.719
local terms energy: -509.270464
where:
bonds (distance) C4'-P energy: -86.092
bonds (distance) P-C4' energy: -91.945
flat angles C4'-P-C4' energy: -111.152
flat angles P-C4'-P energy: -77.738
tors. eta vs tors. theta energy: -142.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1680.461244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.461244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.461244 (E_RNA)
where:
Base-Base interactions energy: -1170.277
where: short stacking energy: -470.516
Base-Backbone interact. energy: -4.203
local terms energy: -505.981386
where:
bonds (distance) C4'-P energy: -77.659
bonds (distance) P-C4' energy: -90.700
flat angles C4'-P-C4' energy: -117.590
flat angles P-C4'-P energy: -77.636
tors. eta vs tors. theta energy: -142.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1630.135877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.135877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.135877 (E_RNA)
where:
Base-Base interactions energy: -1135.109
where: short stacking energy: -464.959
Base-Backbone interact. energy: -0.165
local terms energy: -494.861040
where:
bonds (distance) C4'-P energy: -94.511
bonds (distance) P-C4' energy: -96.010
flat angles C4'-P-C4' energy: -104.698
flat angles P-C4'-P energy: -70.428
tors. eta vs tors. theta energy: -129.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1497.611055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.611055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.611055 (E_RNA)
where:
Base-Base interactions energy: -1026.673
where: short stacking energy: -427.902
Base-Backbone interact. energy: -0.842
local terms energy: -470.095624
where:
bonds (distance) C4'-P energy: -95.828
bonds (distance) P-C4' energy: -102.392
flat angles C4'-P-C4' energy: -104.929
flat angles P-C4'-P energy: -62.441
tors. eta vs tors. theta energy: -104.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1265.648479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.648479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.648479 (E_RNA)
where:
Base-Base interactions energy: -841.267
where: short stacking energy: -350.603
Base-Backbone interact. energy: 2.059
local terms energy: -426.439965
where:
bonds (distance) C4'-P energy: -85.595
bonds (distance) P-C4' energy: -89.202
flat angles C4'-P-C4' energy: -91.014
flat angles P-C4'-P energy: -83.512
tors. eta vs tors. theta energy: -77.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -988.531613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.531613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.531613 (E_RNA)
where:
Base-Base interactions energy: -615.187
where: short stacking energy: -286.841
Base-Backbone interact. energy: -0.647
local terms energy: -372.697234
where:
bonds (distance) C4'-P energy: -82.431
bonds (distance) P-C4' energy: -100.655
flat angles C4'-P-C4' energy: -82.208
flat angles P-C4'-P energy: -53.908
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: 9, replica: 9
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -817.166339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.166339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.166339 (E_RNA)
where:
Base-Base interactions energy: -471.800
where: short stacking energy: -239.783
Base-Backbone interact. energy: -1.281
local terms energy: -344.085685
where:
bonds (distance) C4'-P energy: -93.179
bonds (distance) P-C4' energy: -95.673
flat angles C4'-P-C4' energy: -72.083
flat angles P-C4'-P energy: -51.532
tors. eta vs tors. theta energy: -31.619
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: 181
Temperature: 1.350000
Total energy: -570.700678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.700678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.700678 (E_RNA)
where:
Base-Base interactions energy: -263.069
where: short stacking energy: -139.105
Base-Backbone interact. energy: -1.401
local terms energy: -306.230961
where:
bonds (distance) C4'-P energy: -96.314
bonds (distance) P-C4' energy: -86.422
flat angles C4'-P-C4' energy: -83.245
flat angles P-C4'-P energy: -49.978
tors. eta vs tors. theta energy: 9.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1901.278819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.278819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.278819 (E_RNA)
where:
Base-Base interactions energy: -1362.221
where: short stacking energy: -541.006
Base-Backbone interact. energy: -1.472
local terms energy: -537.586170
where:
bonds (distance) C4'-P energy: -93.242
bonds (distance) P-C4' energy: -109.325
flat angles C4'-P-C4' energy: -110.713
flat angles P-C4'-P energy: -83.805
tors. eta vs tors. theta energy: -140.502
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: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1802.692015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.692015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.692015 (E_RNA)
where:
Base-Base interactions energy: -1283.707
where: short stacking energy: -520.507
Base-Backbone interact. energy: -3.277
local terms energy: -515.707970
where:
bonds (distance) C4'-P energy: -91.253
bonds (distance) P-C4' energy: -100.031
flat angles C4'-P-C4' energy: -121.577
flat angles P-C4'-P energy: -76.194
tors. eta vs tors. theta energy: -126.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1721.539374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.539374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.539374 (E_RNA)
where:
Base-Base interactions energy: -1223.842
where: short stacking energy: -504.101
Base-Backbone interact. energy: 1.838
local terms energy: -499.535109
where:
bonds (distance) C4'-P energy: -88.425
bonds (distance) P-C4' energy: -100.646
flat angles C4'-P-C4' energy: -106.599
flat angles P-C4'-P energy: -69.424
tors. eta vs tors. theta energy: -134.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1679.323243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.323243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.323243 (E_RNA)
where:
Base-Base interactions energy: -1175.229
where: short stacking energy: -520.036
Base-Backbone interact. energy: -1.120
local terms energy: -502.974383
where:
bonds (distance) C4'-P energy: -83.989
bonds (distance) P-C4' energy: -97.710
flat angles C4'-P-C4' energy: -109.783
flat angles P-C4'-P energy: -71.596
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: 5, replica: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1554.643428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.643428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.643428 (E_RNA)
where:
Base-Base interactions energy: -1070.349
where: short stacking energy: -434.966
Base-Backbone interact. energy: -1.760
local terms energy: -482.534616
where:
bonds (distance) C4'-P energy: -77.985
bonds (distance) P-C4' energy: -98.739
flat angles C4'-P-C4' energy: -107.558
flat angles P-C4'-P energy: -82.358
tors. eta vs tors. theta energy: -115.895
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: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1509.715206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.715206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.715206 (E_RNA)
where:
Base-Base interactions energy: -1046.665
where: short stacking energy: -440.969
Base-Backbone interact. energy: -2.490
local terms energy: -460.559474
where:
bonds (distance) C4'-P energy: -85.518
bonds (distance) P-C4' energy: -89.966
flat angles C4'-P-C4' energy: -107.681
flat angles P-C4'-P energy: -65.220
tors. eta vs tors. theta energy: -112.175
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: 8
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1262.320825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.320825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.320825 (E_RNA)
where:
Base-Base interactions energy: -872.064
where: short stacking energy: -366.379
Base-Backbone interact. energy: -2.274
local terms energy: -387.982402
where:
bonds (distance) C4'-P energy: -73.857
bonds (distance) P-C4' energy: -85.063
flat angles C4'-P-C4' energy: -86.443
flat angles P-C4'-P energy: -65.772
tors. eta vs tors. theta energy: -76.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1012.923976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.923976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.923976 (E_RNA)
where:
Base-Base interactions energy: -634.810
where: short stacking energy: -276.375
Base-Backbone interact. energy: -1.214
local terms energy: -376.900214
where:
bonds (distance) C4'-P energy: -76.739
bonds (distance) P-C4' energy: -89.618
flat angles C4'-P-C4' energy: -98.344
flat angles P-C4'-P energy: -63.605
tors. eta vs tors. theta energy: -48.594
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: 9
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -862.282080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.282080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.282080 (E_RNA)
where:
Base-Base interactions energy: -510.171
where: short stacking energy: -243.625
Base-Backbone interact. energy: -0.804
local terms energy: -351.306706
where:
bonds (distance) C4'-P energy: -90.814
bonds (distance) P-C4' energy: -89.211
flat angles C4'-P-C4' energy: -82.534
flat angles P-C4'-P energy: -54.075
tors. eta vs tors. theta energy: -34.672
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: 182
Temperature: 1.350000
Total energy: -579.982127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.982127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.982127 (E_RNA)
where:
Base-Base interactions energy: -312.452
where: short stacking energy: -187.666
Base-Backbone interact. energy: 3.601
local terms energy: -271.131288
where:
bonds (distance) C4'-P energy: -70.331
bonds (distance) P-C4' energy: -82.137
flat angles C4'-P-C4' energy: -73.828
flat angles P-C4'-P energy: -27.241
tors. eta vs tors. theta energy: -17.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1929.304283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.304283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.304283 (E_RNA)
where:
Base-Base interactions energy: -1374.887
where: short stacking energy: -555.694
Base-Backbone interact. energy: 0.691
local terms energy: -555.108009
where:
bonds (distance) C4'-P energy: -101.761
bonds (distance) P-C4' energy: -100.038
flat angles C4'-P-C4' energy: -125.979
flat angles P-C4'-P energy: -81.196
tors. eta vs tors. theta energy: -146.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1770.509104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.509104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.509104 (E_RNA)
where:
Base-Base interactions energy: -1244.488
where: short stacking energy: -505.859
Base-Backbone interact. energy: -2.651
local terms energy: -523.370888
where:
bonds (distance) C4'-P energy: -96.482
bonds (distance) P-C4' energy: -108.364
flat angles C4'-P-C4' energy: -104.059
flat angles P-C4'-P energy: -79.994
tors. eta vs tors. theta energy: -134.473
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: 4
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1719.708079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.708079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.708079 (E_RNA)
where:
Base-Base interactions energy: -1235.067
where: short stacking energy: -517.342
Base-Backbone interact. energy: -3.082
local terms energy: -481.558919
where:
bonds (distance) C4'-P energy: -79.890
bonds (distance) P-C4' energy: -92.105
flat angles C4'-P-C4' energy: -109.125
flat angles P-C4'-P energy: -63.705
tors. eta vs tors. theta energy: -136.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1621.120175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.120175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.120175 (E_RNA)
where:
Base-Base interactions energy: -1126.866
where: short stacking energy: -500.660
Base-Backbone interact. energy: 1.550
local terms energy: -495.804381
where:
bonds (distance) C4'-P energy: -107.814
bonds (distance) P-C4' energy: -86.869
flat angles C4'-P-C4' energy: -97.854
flat angles P-C4'-P energy: -66.423
tors. eta vs tors. theta energy: -136.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1561.449112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.449112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.449112 (E_RNA)
where:
Base-Base interactions energy: -1103.328
where: short stacking energy: -463.423
Base-Backbone interact. energy: 3.525
local terms energy: -461.646841
where:
bonds (distance) C4'-P energy: -77.228
bonds (distance) P-C4' energy: -88.361
flat angles C4'-P-C4' energy: -106.251
flat angles P-C4'-P energy: -65.174
tors. eta vs tors. theta energy: -124.633
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: 6
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1581.369038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.369038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.369038 (E_RNA)
where:
Base-Base interactions energy: -1086.551
where: short stacking energy: -474.657
Base-Backbone interact. energy: 0.378
local terms energy: -495.196588
where:
bonds (distance) C4'-P energy: -94.220
bonds (distance) P-C4' energy: -101.165
flat angles C4'-P-C4' energy: -103.777
flat angles P-C4'-P energy: -72.314
tors. eta vs tors. theta energy: -123.720
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: 7, replica: 8
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1275.131137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.131137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.131137 (E_RNA)
where:
Base-Base interactions energy: -871.208
where: short stacking energy: -372.533
Base-Backbone interact. energy: -1.126
local terms energy: -402.796837
where:
bonds (distance) C4'-P energy: -90.051
bonds (distance) P-C4' energy: -95.654
flat angles C4'-P-C4' energy: -84.097
flat angles P-C4'-P energy: -55.269
tors. eta vs tors. theta energy: -77.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1023.830828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.830828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.830828 (E_RNA)
where:
Base-Base interactions energy: -644.569
where: short stacking energy: -306.987
Base-Backbone interact. energy: 4.768
local terms energy: -384.029744
where:
bonds (distance) C4'-P energy: -83.244
bonds (distance) P-C4' energy: -94.427
flat angles C4'-P-C4' energy: -84.296
flat angles P-C4'-P energy: -62.864
tors. eta vs tors. theta energy: -59.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -830.278519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.278519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.278519 (E_RNA)
where:
Base-Base interactions energy: -474.677
where: short stacking energy: -257.242
Base-Backbone interact. energy: 0.443
local terms energy: -356.044901
where:
bonds (distance) C4'-P energy: -85.864
bonds (distance) P-C4' energy: -83.153
flat angles C4'-P-C4' energy: -91.155
flat angles P-C4'-P energy: -61.410
tors. eta vs tors. theta energy: -34.463
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: 183
Temperature: 1.350000
Total energy: -572.228317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.228317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.228317 (E_RNA)
where:
Base-Base interactions energy: -256.331
where: short stacking energy: -162.720
Base-Backbone interact. energy: 1.552
local terms energy: -317.448782
where:
bonds (distance) C4'-P energy: -83.254
bonds (distance) P-C4' energy: -94.067
flat angles C4'-P-C4' energy: -83.458
flat angles P-C4'-P energy: -43.536
tors. eta vs tors. theta energy: -13.132
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: 184
Temperature: 0.900000
Total energy: -1926.640846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.640846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.640846 (E_RNA)
where:
Base-Base interactions energy: -1389.085
where: short stacking energy: -533.982
Base-Backbone interact. energy: -5.104
local terms energy: -532.451332
where:
bonds (distance) C4'-P energy: -89.244
bonds (distance) P-C4' energy: -107.089
flat angles C4'-P-C4' energy: -111.370
flat angles P-C4'-P energy: -77.012
tors. eta vs tors. theta energy: -147.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1777.654314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.654314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.654314 (E_RNA)
where:
Base-Base interactions energy: -1253.636
where: short stacking energy: -509.838
Base-Backbone interact. energy: -1.472
local terms energy: -522.546681
where:
bonds (distance) C4'-P energy: -98.721
bonds (distance) P-C4' energy: -99.005
flat angles C4'-P-C4' energy: -112.660
flat angles P-C4'-P energy: -77.000
tors. eta vs tors. theta energy: -135.160
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: 4
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1718.968806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.968806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.968806 (E_RNA)
where:
Base-Base interactions energy: -1194.632
where: short stacking energy: -491.030
Base-Backbone interact. energy: -3.313
local terms energy: -521.024082
where:
bonds (distance) C4'-P energy: -93.549
bonds (distance) P-C4' energy: -93.549
flat angles C4'-P-C4' energy: -112.315
flat angles P-C4'-P energy: -84.510
tors. eta vs tors. theta energy: -137.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1645.157095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.157095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.157095 (E_RNA)
where:
Base-Base interactions energy: -1132.570
where: short stacking energy: -450.807
Base-Backbone interact. energy: -4.053
local terms energy: -508.533293
where:
bonds (distance) C4'-P energy: -101.657
bonds (distance) P-C4' energy: -99.584
flat angles C4'-P-C4' energy: -109.093
flat angles P-C4'-P energy: -77.309
tors. eta vs tors. theta energy: -120.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1586.726202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.726202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.726202 (E_RNA)
where:
Base-Base interactions energy: -1103.173
where: short stacking energy: -474.658
Base-Backbone interact. energy: -2.698
local terms energy: -480.855027
where:
bonds (distance) C4'-P energy: -77.904
bonds (distance) P-C4' energy: -94.832
flat angles C4'-P-C4' energy: -108.574
flat angles P-C4'-P energy: -79.545
tors. eta vs tors. theta energy: -120.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1550.366472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.366472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.366472 (E_RNA)
where:
Base-Base interactions energy: -1084.010
where: short stacking energy: -449.909
Base-Backbone interact. energy: -4.217
local terms energy: -462.139959
where:
bonds (distance) C4'-P energy: -86.946
bonds (distance) P-C4' energy: -90.751
flat angles C4'-P-C4' energy: -97.426
flat angles P-C4'-P energy: -75.289
tors. eta vs tors. theta energy: -111.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1282.052911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.052911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.052911 (E_RNA)
where:
Base-Base interactions energy: -859.665
where: short stacking energy: -361.598
Base-Backbone interact. energy: -1.158
local terms energy: -421.229772
where:
bonds (distance) C4'-P energy: -98.268
bonds (distance) P-C4' energy: -81.162
flat angles C4'-P-C4' energy: -113.606
flat angles P-C4'-P energy: -57.113
tors. eta vs tors. theta energy: -71.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -945.260258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.260258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.260258 (E_RNA)
where:
Base-Base interactions energy: -599.592
where: short stacking energy: -270.463
Base-Backbone interact. energy: 1.695
local terms energy: -347.362731
where:
bonds (distance) C4'-P energy: -94.090
bonds (distance) P-C4' energy: -83.892
flat angles C4'-P-C4' energy: -72.223
flat angles P-C4'-P energy: -57.681
tors. eta vs tors. theta energy: -39.478
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: 9
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -766.775462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.775462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.775462 (E_RNA)
where:
Base-Base interactions energy: -444.429
where: short stacking energy: -217.919
Base-Backbone interact. energy: -2.012
local terms energy: -320.335268
where:
bonds (distance) C4'-P energy: -74.743
bonds (distance) P-C4' energy: -96.028
flat angles C4'-P-C4' energy: -78.596
flat angles P-C4'-P energy: -51.812
tors. eta vs tors. theta energy: -19.156
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: 184
Temperature: 1.350000
Total energy: -574.269507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.269507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.269507 (E_RNA)
where:
Base-Base interactions energy: -284.048
where: short stacking energy: -167.753
Base-Backbone interact. energy: -3.476
local terms energy: -286.746193
where:
bonds (distance) C4'-P energy: -68.347
bonds (distance) P-C4' energy: -93.945
flat angles C4'-P-C4' energy: -92.384
flat angles P-C4'-P energy: -22.366
tors. eta vs tors. theta energy: -9.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1902.591111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.591111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.591111 (E_RNA)
where:
Base-Base interactions energy: -1350.947
where: short stacking energy: -537.226
Base-Backbone interact. energy: 1.577
local terms energy: -553.222042
where:
bonds (distance) C4'-P energy: -92.421
bonds (distance) P-C4' energy: -114.416
flat angles C4'-P-C4' energy: -126.176
flat angles P-C4'-P energy: -76.398
tors. eta vs tors. theta energy: -143.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1784.677779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.677779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.677779 (E_RNA)
where:
Base-Base interactions energy: -1256.892
where: short stacking energy: -547.616
Base-Backbone interact. energy: -2.604
local terms energy: -525.182048
where:
bonds (distance) C4'-P energy: -91.638
bonds (distance) P-C4' energy: -101.897
flat angles C4'-P-C4' energy: -115.461
flat angles P-C4'-P energy: -77.138
tors. eta vs tors. theta energy: -139.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1724.680246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.680246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.680246 (E_RNA)
where:
Base-Base interactions energy: -1202.727
where: short stacking energy: -509.690
Base-Backbone interact. energy: -2.411
local terms energy: -519.542138
where:
bonds (distance) C4'-P energy: -95.208
bonds (distance) P-C4' energy: -88.326
flat angles C4'-P-C4' energy: -116.529
flat angles P-C4'-P energy: -79.452
tors. eta vs tors. theta energy: -140.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1646.326073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.326073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.326073 (E_RNA)
where:
Base-Base interactions energy: -1149.024
where: short stacking energy: -472.441
Base-Backbone interact. energy: -0.446
local terms energy: -496.856002
where:
bonds (distance) C4'-P energy: -90.639
bonds (distance) P-C4' energy: -106.983
flat angles C4'-P-C4' energy: -110.755
flat angles P-C4'-P energy: -66.688
tors. eta vs tors. theta energy: -121.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1587.788898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.788898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.788898 (E_RNA)
where:
Base-Base interactions energy: -1101.379
where: short stacking energy: -467.713
Base-Backbone interact. energy: -2.645
local terms energy: -483.765298
where:
bonds (distance) C4'-P energy: -91.857
bonds (distance) P-C4' energy: -90.785
flat angles C4'-P-C4' energy: -103.229
flat angles P-C4'-P energy: -72.217
tors. eta vs tors. theta energy: -125.677
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: 6
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1542.182407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.182407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.182407 (E_RNA)
where:
Base-Base interactions energy: -1079.265
where: short stacking energy: -437.524
Base-Backbone interact. energy: -1.431
local terms energy: -461.486535
where:
bonds (distance) C4'-P energy: -90.079
bonds (distance) P-C4' energy: -83.171
flat angles C4'-P-C4' energy: -108.040
flat angles P-C4'-P energy: -60.687
tors. eta vs tors. theta energy: -119.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1278.400329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.400329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.400329 (E_RNA)
where:
Base-Base interactions energy: -877.616
where: short stacking energy: -379.269
Base-Backbone interact. energy: -3.539
local terms energy: -397.245477
where:
bonds (distance) C4'-P energy: -82.330
bonds (distance) P-C4' energy: -95.653
flat angles C4'-P-C4' energy: -94.865
flat angles P-C4'-P energy: -32.875
tors. eta vs tors. theta energy: -91.522
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: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -975.331065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.331065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.331065 (E_RNA)
where:
Base-Base interactions energy: -611.510
where: short stacking energy: -266.356
Base-Backbone interact. energy: -3.280
local terms energy: -360.541403
where:
bonds (distance) C4'-P energy: -63.205
bonds (distance) P-C4' energy: -99.762
flat angles C4'-P-C4' energy: -96.781
flat angles P-C4'-P energy: -54.817
tors. eta vs tors. theta energy: -45.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -783.153364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.153364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.153364 (E_RNA)
where:
Base-Base interactions energy: -484.788
where: short stacking energy: -251.468
Base-Backbone interact. energy: 1.008
local terms energy: -299.372750
where:
bonds (distance) C4'-P energy: -79.293
bonds (distance) P-C4' energy: -83.364
flat angles C4'-P-C4' energy: -72.127
flat angles P-C4'-P energy: -24.240
tors. eta vs tors. theta energy: -40.349
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: 185
Temperature: 1.350000
Total energy: -524.635976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.635976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.635976 (E_RNA)
where:
Base-Base interactions energy: -284.140
where: short stacking energy: -149.479
Base-Backbone interact. energy: 2.846
local terms energy: -243.341952
where:
bonds (distance) C4'-P energy: -59.178
bonds (distance) P-C4' energy: -76.993
flat angles C4'-P-C4' energy: -64.222
flat angles P-C4'-P energy: -47.283
tors. eta vs tors. theta energy: 4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1916.991179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.991179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.991179 (E_RNA)
where:
Base-Base interactions energy: -1368.234
where: short stacking energy: -523.391
Base-Backbone interact. energy: -4.650
local terms energy: -544.107644
where:
bonds (distance) C4'-P energy: -86.943
bonds (distance) P-C4' energy: -110.004
flat angles C4'-P-C4' energy: -122.407
flat angles P-C4'-P energy: -77.317
tors. eta vs tors. theta energy: -147.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1792.507672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.507672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.507672 (E_RNA)
where:
Base-Base interactions energy: -1266.563
where: short stacking energy: -520.290
Base-Backbone interact. energy: 1.194
local terms energy: -527.138856
where:
bonds (distance) C4'-P energy: -100.252
bonds (distance) P-C4' energy: -94.656
flat angles C4'-P-C4' energy: -116.384
flat angles P-C4'-P energy: -75.970
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: 186
Temperature: 1.000000
Total energy: -1712.285830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.285830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.285830 (E_RNA)
where:
Base-Base interactions energy: -1192.068
where: short stacking energy: -496.495
Base-Backbone interact. energy: -1.789
local terms energy: -518.429140
where:
bonds (distance) C4'-P energy: -95.473
bonds (distance) P-C4' energy: -104.747
flat angles C4'-P-C4' energy: -111.157
flat angles P-C4'-P energy: -69.035
tors. eta vs tors. theta energy: -138.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1677.797701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.797701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.797701 (E_RNA)
where:
Base-Base interactions energy: -1163.261
where: short stacking energy: -495.756
Base-Backbone interact. energy: -1.852
local terms energy: -512.684568
where:
bonds (distance) C4'-P energy: -92.459
bonds (distance) P-C4' energy: -99.259
flat angles C4'-P-C4' energy: -114.559
flat angles P-C4'-P energy: -80.175
tors. eta vs tors. theta energy: -126.233
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: 6
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1555.798084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.798084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.798084 (E_RNA)
where:
Base-Base interactions energy: -1083.754
where: short stacking energy: -431.336
Base-Backbone interact. energy: -0.342
local terms energy: -471.702901
where:
bonds (distance) C4'-P energy: -96.368
bonds (distance) P-C4' energy: -85.538
flat angles C4'-P-C4' energy: -97.734
flat angles P-C4'-P energy: -70.987
tors. eta vs tors. theta energy: -121.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1551.186219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.186219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.186219 (E_RNA)
where:
Base-Base interactions energy: -1073.466
where: short stacking energy: -455.478
Base-Backbone interact. energy: -2.079
local terms energy: -475.641058
where:
bonds (distance) C4'-P energy: -92.346
bonds (distance) P-C4' energy: -106.435
flat angles C4'-P-C4' energy: -99.877
flat angles P-C4'-P energy: -63.125
tors. eta vs tors. theta energy: -113.859
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: 8
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1307.770589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.770589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.770589 (E_RNA)
where:
Base-Base interactions energy: -913.200
where: short stacking energy: -390.508
Base-Backbone interact. energy: -5.076
local terms energy: -389.494780
where:
bonds (distance) C4'-P energy: -74.895
bonds (distance) P-C4' energy: -88.966
flat angles C4'-P-C4' energy: -97.802
flat angles P-C4'-P energy: -52.148
tors. eta vs tors. theta energy: -75.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -947.405930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.405930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.405930 (E_RNA)
where:
Base-Base interactions energy: -577.966
where: short stacking energy: -273.326
Base-Backbone interact. energy: -1.061
local terms energy: -368.378639
where:
bonds (distance) C4'-P energy: -91.422
bonds (distance) P-C4' energy: -94.037
flat angles C4'-P-C4' energy: -86.533
flat angles P-C4'-P energy: -46.818
tors. eta vs tors. theta energy: -49.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -774.105304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.105304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.105304 (E_RNA)
where:
Base-Base interactions energy: -457.901
where: short stacking energy: -225.557
Base-Backbone interact. energy: 5.924
local terms energy: -322.128134
where:
bonds (distance) C4'-P energy: -96.725
bonds (distance) P-C4' energy: -74.702
flat angles C4'-P-C4' energy: -86.097
flat angles P-C4'-P energy: -42.478
tors. eta vs tors. theta energy: -22.127
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: 10, replica: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -547.472850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.472850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.472850 (E_RNA)
where:
Base-Base interactions energy: -278.659
where: short stacking energy: -164.270
Base-Backbone interact. energy: 1.291
local terms energy: -270.104394
where:
bonds (distance) C4'-P energy: -77.572
bonds (distance) P-C4' energy: -90.521
flat angles C4'-P-C4' energy: -81.178
flat angles P-C4'-P energy: -24.401
tors. eta vs tors. theta energy: 3.567
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: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1899.025188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.025188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.025188 (E_RNA)
where:
Base-Base interactions energy: -1374.172
where: short stacking energy: -551.564
Base-Backbone interact. energy: -1.470
local terms energy: -523.383348
where:
bonds (distance) C4'-P energy: -85.920
bonds (distance) P-C4' energy: -104.141
flat angles C4'-P-C4' energy: -115.185
flat angles P-C4'-P energy: -72.397
tors. eta vs tors. theta energy: -145.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1753.455780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.455780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.455780 (E_RNA)
where:
Base-Base interactions energy: -1230.800
where: short stacking energy: -504.460
Base-Backbone interact. energy: 0.360
local terms energy: -523.015791
where:
bonds (distance) C4'-P energy: -102.810
bonds (distance) P-C4' energy: -99.056
flat angles C4'-P-C4' energy: -118.782
flat angles P-C4'-P energy: -68.309
tors. eta vs tors. theta energy: -134.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1736.887277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.887277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.887277 (E_RNA)
where:
Base-Base interactions energy: -1201.941
where: short stacking energy: -488.600
Base-Backbone interact. energy: -3.653
local terms energy: -531.293843
where:
bonds (distance) C4'-P energy: -99.438
bonds (distance) P-C4' energy: -100.154
flat angles C4'-P-C4' energy: -117.103
flat angles P-C4'-P energy: -76.015
tors. eta vs tors. theta energy: -138.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1677.420672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.420672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.420672 (E_RNA)
where:
Base-Base interactions energy: -1180.134
where: short stacking energy: -500.847
Base-Backbone interact. energy: -2.302
local terms energy: -494.984612
where:
bonds (distance) C4'-P energy: -82.306
bonds (distance) P-C4' energy: -95.813
flat angles C4'-P-C4' energy: -110.434
flat angles P-C4'-P energy: -82.510
tors. eta vs tors. theta energy: -123.921
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: 5, replica: 6
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1560.422907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.422907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.422907 (E_RNA)
where:
Base-Base interactions energy: -1087.245
where: short stacking energy: -476.444
Base-Backbone interact. energy: -0.867
local terms energy: -472.310748
where:
bonds (distance) C4'-P energy: -87.593
bonds (distance) P-C4' energy: -82.364
flat angles C4'-P-C4' energy: -96.295
flat angles P-C4'-P energy: -80.844
tors. eta vs tors. theta energy: -125.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1488.595938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.595938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.595938 (E_RNA)
where:
Base-Base interactions energy: -1041.561
where: short stacking energy: -432.265
Base-Backbone interact. energy: -3.256
local terms energy: -443.778727
where:
bonds (distance) C4'-P energy: -83.071
bonds (distance) P-C4' energy: -91.536
flat angles C4'-P-C4' energy: -104.546
flat angles P-C4'-P energy: -57.935
tors. eta vs tors. theta energy: -106.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1300.021368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.021368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.021368 (E_RNA)
where:
Base-Base interactions energy: -903.302
where: short stacking energy: -396.966
Base-Backbone interact. energy: -1.243
local terms energy: -395.476435
where:
bonds (distance) C4'-P energy: -66.900
bonds (distance) P-C4' energy: -87.985
flat angles C4'-P-C4' energy: -90.987
flat angles P-C4'-P energy: -57.573
tors. eta vs tors. theta energy: -92.032
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: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1011.173025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.173025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.173025 (E_RNA)
where:
Base-Base interactions energy: -636.216
where: short stacking energy: -278.755
Base-Backbone interact. energy: -3.019
local terms energy: -371.937221
where:
bonds (distance) C4'-P energy: -92.534
bonds (distance) P-C4' energy: -93.864
flat angles C4'-P-C4' energy: -101.780
flat angles P-C4'-P energy: -43.726
tors. eta vs tors. theta energy: -40.033
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: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -761.274533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.274533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.274533 (E_RNA)
where:
Base-Base interactions energy: -429.651
where: short stacking energy: -210.304
Base-Backbone interact. energy: -1.937
local terms energy: -329.686350
where:
bonds (distance) C4'-P energy: -92.197
bonds (distance) P-C4' energy: -77.428
flat angles C4'-P-C4' energy: -84.239
flat angles P-C4'-P energy: -56.429
tors. eta vs tors. theta energy: -19.394
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: 187
Temperature: 1.350000
Total energy: -576.409955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.409955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.409955 (E_RNA)
where:
Base-Base interactions energy: -283.949
where: short stacking energy: -144.883
Base-Backbone interact. energy: -4.098
local terms energy: -288.363710
where:
bonds (distance) C4'-P energy: -78.223
bonds (distance) P-C4' energy: -81.164
flat angles C4'-P-C4' energy: -80.604
flat angles P-C4'-P energy: -50.742
tors. eta vs tors. theta energy: 2.368
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: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1884.762058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.762058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.762058 (E_RNA)
where:
Base-Base interactions energy: -1353.608
where: short stacking energy: -547.589
Base-Backbone interact. energy: -0.577
local terms energy: -530.577526
where:
bonds (distance) C4'-P energy: -89.564
bonds (distance) P-C4' energy: -104.242
flat angles C4'-P-C4' energy: -115.163
flat angles P-C4'-P energy: -72.078
tors. eta vs tors. theta energy: -149.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1756.719902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.719902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.719902 (E_RNA)
where:
Base-Base interactions energy: -1204.530
where: short stacking energy: -513.641
Base-Backbone interact. energy: -3.708
local terms energy: -548.481380
where:
bonds (distance) C4'-P energy: -108.302
bonds (distance) P-C4' energy: -96.433
flat angles C4'-P-C4' energy: -121.623
flat angles P-C4'-P energy: -84.833
tors. eta vs tors. theta energy: -137.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1679.269208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.269208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.269208 (E_RNA)
where:
Base-Base interactions energy: -1161.665
where: short stacking energy: -462.306
Base-Backbone interact. energy: -1.477
local terms energy: -516.127248
where:
bonds (distance) C4'-P energy: -93.844
bonds (distance) P-C4' energy: -96.339
flat angles C4'-P-C4' energy: -114.417
flat angles P-C4'-P energy: -84.850
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: 4, replica: 2
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1657.359129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.359129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.359129 (E_RNA)
where:
Base-Base interactions energy: -1158.338
where: short stacking energy: -481.412
Base-Backbone interact. energy: 1.650
local terms energy: -500.671805
where:
bonds (distance) C4'-P energy: -88.358
bonds (distance) P-C4' energy: -107.663
flat angles C4'-P-C4' energy: -108.796
flat angles P-C4'-P energy: -73.988
tors. eta vs tors. theta energy: -121.867
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: 6
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1566.219076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.219076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.219076 (E_RNA)
where:
Base-Base interactions energy: -1060.320
where: short stacking energy: -466.636
Base-Backbone interact. energy: 2.934
local terms energy: -508.832920
where:
bonds (distance) C4'-P energy: -95.394
bonds (distance) P-C4' energy: -98.710
flat angles C4'-P-C4' energy: -103.777
flat angles P-C4'-P energy: -75.558
tors. eta vs tors. theta energy: -135.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1494.227985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.227985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.227985 (E_RNA)
where:
Base-Base interactions energy: -1020.202
where: short stacking energy: -423.165
Base-Backbone interact. energy: 0.465
local terms energy: -474.490841
where:
bonds (distance) C4'-P energy: -77.137
bonds (distance) P-C4' energy: -107.302
flat angles C4'-P-C4' energy: -108.182
flat angles P-C4'-P energy: -76.230
tors. eta vs tors. theta energy: -105.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1311.874407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.874407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.874407 (E_RNA)
where:
Base-Base interactions energy: -870.876
where: short stacking energy: -357.624
Base-Backbone interact. energy: -2.658
local terms energy: -438.339823
where:
bonds (distance) C4'-P energy: -88.209
bonds (distance) P-C4' energy: -93.925
flat angles C4'-P-C4' energy: -103.597
flat angles P-C4'-P energy: -56.567
tors. eta vs tors. theta energy: -96.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1090.212094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.212094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.212094 (E_RNA)
where:
Base-Base interactions energy: -706.276
where: short stacking energy: -304.135
Base-Backbone interact. energy: 0.865
local terms energy: -384.800913
where:
bonds (distance) C4'-P energy: -76.852
bonds (distance) P-C4' energy: -96.712
flat angles C4'-P-C4' energy: -104.258
flat angles P-C4'-P energy: -43.861
tors. eta vs tors. theta energy: -63.117
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: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -781.702760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.702760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.702760 (E_RNA)
where:
Base-Base interactions energy: -473.875
where: short stacking energy: -225.082
Base-Backbone interact. energy: -1.460
local terms energy: -306.368458
where:
bonds (distance) C4'-P energy: -69.329
bonds (distance) P-C4' energy: -90.015
flat angles C4'-P-C4' energy: -70.923
flat angles P-C4'-P energy: -44.966
tors. eta vs tors. theta energy: -31.136
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: 188
Temperature: 1.350000
Total energy: -557.316570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.316570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.316570 (E_RNA)
where:
Base-Base interactions energy: -270.405
where: short stacking energy: -175.197
Base-Backbone interact. energy: -2.219
local terms energy: -284.692181
where:
bonds (distance) C4'-P energy: -75.061
bonds (distance) P-C4' energy: -91.073
flat angles C4'-P-C4' energy: -62.801
flat angles P-C4'-P energy: -53.350
tors. eta vs tors. theta energy: -2.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1881.187596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.187596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.187596 (E_RNA)
where:
Base-Base interactions energy: -1313.934
where: short stacking energy: -546.341
Base-Backbone interact. energy: -0.036
local terms energy: -567.217653
where:
bonds (distance) C4'-P energy: -113.431
bonds (distance) P-C4' energy: -102.212
flat angles C4'-P-C4' energy: -116.332
flat angles P-C4'-P energy: -78.675
tors. eta vs tors. theta energy: -156.568
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: 2, replica: 4
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1761.336844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.336844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.336844 (E_RNA)
where:
Base-Base interactions energy: -1227.754
where: short stacking energy: -502.379
Base-Backbone interact. energy: -5.538
local terms energy: -528.044795
where:
bonds (distance) C4'-P energy: -94.617
bonds (distance) P-C4' energy: -107.614
flat angles C4'-P-C4' energy: -111.054
flat angles P-C4'-P energy: -83.968
tors. eta vs tors. theta energy: -130.792
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: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1718.721319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.721319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.721319 (E_RNA)
where:
Base-Base interactions energy: -1191.892
where: short stacking energy: -507.701
Base-Backbone interact. energy: 0.187
local terms energy: -527.016195
where:
bonds (distance) C4'-P energy: -84.730
bonds (distance) P-C4' energy: -109.241
flat angles C4'-P-C4' energy: -115.793
flat angles P-C4'-P energy: -76.573
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: 2
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1677.029011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.029011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.029011 (E_RNA)
where:
Base-Base interactions energy: -1163.359
where: short stacking energy: -485.560
Base-Backbone interact. energy: -2.676
local terms energy: -510.993654
where:
bonds (distance) C4'-P energy: -76.640
bonds (distance) P-C4' energy: -101.511
flat angles C4'-P-C4' energy: -121.010
flat angles P-C4'-P energy: -76.591
tors. eta vs tors. theta energy: -135.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1519.927795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.927795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.927795 (E_RNA)
where:
Base-Base interactions energy: -1059.813
where: short stacking energy: -441.629
Base-Backbone interact. energy: -2.191
local terms energy: -457.924210
where:
bonds (distance) C4'-P energy: -71.272
bonds (distance) P-C4' energy: -85.801
flat angles C4'-P-C4' energy: -117.242
flat angles P-C4'-P energy: -70.104
tors. eta vs tors. theta energy: -113.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1501.246694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.246694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.246694 (E_RNA)
where:
Base-Base interactions energy: -1043.094
where: short stacking energy: -425.712
Base-Backbone interact. energy: -1.832
local terms energy: -456.320948
where:
bonds (distance) C4'-P energy: -103.646
bonds (distance) P-C4' energy: -82.530
flat angles C4'-P-C4' energy: -92.198
flat angles P-C4'-P energy: -66.752
tors. eta vs tors. theta energy: -111.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1304.507550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.507550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.507550 (E_RNA)
where:
Base-Base interactions energy: -889.455
where: short stacking energy: -359.928
Base-Backbone interact. energy: 1.101
local terms energy: -416.152947
where:
bonds (distance) C4'-P energy: -80.332
bonds (distance) P-C4' energy: -92.057
flat angles C4'-P-C4' energy: -105.247
flat angles P-C4'-P energy: -66.455
tors. eta vs tors. theta energy: -72.062
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: 8, replica: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1071.276815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.276815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.276815 (E_RNA)
where:
Base-Base interactions energy: -707.511
where: short stacking energy: -309.506
Base-Backbone interact. energy: -1.073
local terms energy: -362.693627
where:
bonds (distance) C4'-P energy: -81.831
bonds (distance) P-C4' energy: -87.201
flat angles C4'-P-C4' energy: -96.413
flat angles P-C4'-P energy: -38.815
tors. eta vs tors. theta energy: -58.435
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: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -765.758584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.758584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.758584 (E_RNA)
where:
Base-Base interactions energy: -462.986
where: short stacking energy: -220.263
Base-Backbone interact. energy: 3.951
local terms energy: -306.723553
where:
bonds (distance) C4'-P energy: -80.479
bonds (distance) P-C4' energy: -95.170
flat angles C4'-P-C4' energy: -76.631
flat angles P-C4'-P energy: -26.295
tors. eta vs tors. theta energy: -28.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -528.677363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.677363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.677363 (E_RNA)
where:
Base-Base interactions energy: -241.096
where: short stacking energy: -136.432
Base-Backbone interact. energy: 6.465
local terms energy: -294.046391
where:
bonds (distance) C4'-P energy: -94.002
bonds (distance) P-C4' energy: -94.432
flat angles C4'-P-C4' energy: -65.952
flat angles P-C4'-P energy: -47.930
tors. eta vs tors. theta energy: 8.269
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: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1880.176590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.176590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.176590 (E_RNA)
where:
Base-Base interactions energy: -1336.838
where: short stacking energy: -548.725
Base-Backbone interact. energy: 3.197
local terms energy: -546.535533
where:
bonds (distance) C4'-P energy: -97.519
bonds (distance) P-C4' energy: -106.411
flat angles C4'-P-C4' energy: -123.193
flat angles P-C4'-P energy: -77.580
tors. eta vs tors. theta energy: -141.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1783.563591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.563591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.563591 (E_RNA)
where:
Base-Base interactions energy: -1261.119
where: short stacking energy: -529.808
Base-Backbone interact. energy: -3.820
local terms energy: -518.624537
where:
bonds (distance) C4'-P energy: -96.384
bonds (distance) P-C4' energy: -89.446
flat angles C4'-P-C4' energy: -114.120
flat angles P-C4'-P energy: -79.933
tors. eta vs tors. theta energy: -138.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1768.410709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.410709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.410709 (E_RNA)
where:
Base-Base interactions energy: -1233.759
where: short stacking energy: -501.944
Base-Backbone interact. energy: 0.640
local terms energy: -535.291160
where:
bonds (distance) C4'-P energy: -90.910
bonds (distance) P-C4' energy: -100.324
flat angles C4'-P-C4' energy: -117.938
flat angles P-C4'-P energy: -81.627
tors. eta vs tors. theta energy: -144.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1703.330084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.330084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.330084 (E_RNA)
where:
Base-Base interactions energy: -1196.363
where: short stacking energy: -515.144
Base-Backbone interact. energy: -1.914
local terms energy: -505.053601
where:
bonds (distance) C4'-P energy: -77.831
bonds (distance) P-C4' energy: -93.490
flat angles C4'-P-C4' energy: -118.365
flat angles P-C4'-P energy: -82.017
tors. eta vs tors. theta energy: -133.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1569.502470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.502470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.502470 (E_RNA)
where:
Base-Base interactions energy: -1073.857
where: short stacking energy: -452.708
Base-Backbone interact. energy: -0.761
local terms energy: -494.884242
where:
bonds (distance) C4'-P energy: -97.524
bonds (distance) P-C4' energy: -79.271
flat angles C4'-P-C4' energy: -112.842
flat angles P-C4'-P energy: -79.521
tors. eta vs tors. theta energy: -125.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1528.976112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.976112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.976112 (E_RNA)
where:
Base-Base interactions energy: -1105.082
where: short stacking energy: -444.258
Base-Backbone interact. energy: 2.166
local terms energy: -426.059774
where:
bonds (distance) C4'-P energy: -68.455
bonds (distance) P-C4' energy: -80.551
flat angles C4'-P-C4' energy: -101.361
flat angles P-C4'-P energy: -63.781
tors. eta vs tors. theta energy: -111.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1290.519622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.519622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.519622 (E_RNA)
where:
Base-Base interactions energy: -889.378
where: short stacking energy: -371.804
Base-Backbone interact. energy: -1.064
local terms energy: -400.076901
where:
bonds (distance) C4'-P energy: -81.610
bonds (distance) P-C4' energy: -93.527
flat angles C4'-P-C4' energy: -103.204
flat angles P-C4'-P energy: -45.862
tors. eta vs tors. theta energy: -75.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1038.481425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.481425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.481425 (E_RNA)
where:
Base-Base interactions energy: -656.517
where: short stacking energy: -289.194
Base-Backbone interact. energy: -2.040
local terms energy: -379.924694
where:
bonds (distance) C4'-P energy: -64.673
bonds (distance) P-C4' energy: -97.727
flat angles C4'-P-C4' energy: -96.113
flat angles P-C4'-P energy: -58.927
tors. eta vs tors. theta energy: -62.485
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: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -752.077895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.077895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.077895 (E_RNA)
where:
Base-Base interactions energy: -431.148
where: short stacking energy: -203.274
Base-Backbone interact. energy: 2.968
local terms energy: -323.897860
where:
bonds (distance) C4'-P energy: -101.022
bonds (distance) P-C4' energy: -88.665
flat angles C4'-P-C4' energy: -70.753
flat angles P-C4'-P energy: -48.447
tors. eta vs tors. theta energy: -15.009
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: 190
Temperature: 1.350000
Total energy: -546.856220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.856220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.856220 (E_RNA)
where:
Base-Base interactions energy: -250.505
where: short stacking energy: -142.563
Base-Backbone interact. energy: 3.998
local terms energy: -300.348703
where:
bonds (distance) C4'-P energy: -75.828
bonds (distance) P-C4' energy: -90.033
flat angles C4'-P-C4' energy: -82.844
flat angles P-C4'-P energy: -46.426
tors. eta vs tors. theta energy: -5.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1876.822237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.822237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.822237 (E_RNA)
where:
Base-Base interactions energy: -1334.042
where: short stacking energy: -534.587
Base-Backbone interact. energy: -0.008
local terms energy: -542.771835
where:
bonds (distance) C4'-P energy: -108.029
bonds (distance) P-C4' energy: -96.917
flat angles C4'-P-C4' energy: -115.414
flat angles P-C4'-P energy: -78.103
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: 2, replica: 4
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1763.229075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.229075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.229075 (E_RNA)
where:
Base-Base interactions energy: -1227.664
where: short stacking energy: -497.776
Base-Backbone interact. energy: -0.991
local terms energy: -534.573615
where:
bonds (distance) C4'-P energy: -107.869
bonds (distance) P-C4' energy: -90.801
flat angles C4'-P-C4' energy: -119.957
flat angles P-C4'-P energy: -72.914
tors. eta vs tors. theta energy: -143.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1727.230561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.230561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.230561 (E_RNA)
where:
Base-Base interactions energy: -1215.680
where: short stacking energy: -508.805
Base-Backbone interact. energy: -4.383
local terms energy: -507.167049
where:
bonds (distance) C4'-P energy: -81.810
bonds (distance) P-C4' energy: -103.611
flat angles C4'-P-C4' energy: -115.259
flat angles P-C4'-P energy: -73.571
tors. eta vs tors. theta energy: -132.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1728.950741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.950741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.950741 (E_RNA)
where:
Base-Base interactions energy: -1222.356
where: short stacking energy: -499.020
Base-Backbone interact. energy: -1.744
local terms energy: -504.850572
where:
bonds (distance) C4'-P energy: -87.057
bonds (distance) P-C4' energy: -104.818
flat angles C4'-P-C4' energy: -106.371
flat angles P-C4'-P energy: -67.034
tors. eta vs tors. theta energy: -139.571
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: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1555.804039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.804039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.804039 (E_RNA)
where:
Base-Base interactions energy: -1063.524
where: short stacking energy: -458.727
Base-Backbone interact. energy: 0.612
local terms energy: -492.891862
where:
bonds (distance) C4'-P energy: -83.508
bonds (distance) P-C4' energy: -107.690
flat angles C4'-P-C4' energy: -110.660
flat angles P-C4'-P energy: -67.895
tors. eta vs tors. theta energy: -123.138
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: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1563.440816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.440816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.440816 (E_RNA)
where:
Base-Base interactions energy: -1107.819
where: short stacking energy: -446.173
Base-Backbone interact. energy: -1.692
local terms energy: -453.929389
where:
bonds (distance) C4'-P energy: -89.460
bonds (distance) P-C4' energy: -81.296
flat angles C4'-P-C4' energy: -96.293
flat angles P-C4'-P energy: -76.380
tors. eta vs tors. theta energy: -110.500
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: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1321.130033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.130033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.130033 (E_RNA)
where:
Base-Base interactions energy: -900.770
where: short stacking energy: -390.195
Base-Backbone interact. energy: -1.001
local terms energy: -419.359791
where:
bonds (distance) C4'-P energy: -78.793
bonds (distance) P-C4' energy: -80.866
flat angles C4'-P-C4' energy: -99.085
flat angles P-C4'-P energy: -78.218
tors. eta vs tors. theta energy: -82.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -999.035074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.035074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.035074 (E_RNA)
where:
Base-Base interactions energy: -609.974
where: short stacking energy: -273.648
Base-Backbone interact. energy: -1.846
local terms energy: -387.215640
where:
bonds (distance) C4'-P energy: -79.891
bonds (distance) P-C4' energy: -100.795
flat angles C4'-P-C4' energy: -82.234
flat angles P-C4'-P energy: -59.484
tors. eta vs tors. theta energy: -64.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -752.431043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.431043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.431043 (E_RNA)
where:
Base-Base interactions energy: -445.074
where: short stacking energy: -227.714
Base-Backbone interact. energy: -0.656
local terms energy: -306.701151
where:
bonds (distance) C4'-P energy: -85.789
bonds (distance) P-C4' energy: -78.373
flat angles C4'-P-C4' energy: -88.003
flat angles P-C4'-P energy: -34.929
tors. eta vs tors. theta energy: -19.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -574.038989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.038989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.038989 (E_RNA)
where:
Base-Base interactions energy: -260.571
where: short stacking energy: -150.963
Base-Backbone interact. energy: -1.863
local terms energy: -311.604189
where:
bonds (distance) C4'-P energy: -84.091
bonds (distance) P-C4' energy: -94.443
flat angles C4'-P-C4' energy: -74.620
flat angles P-C4'-P energy: -51.303
tors. eta vs tors. theta energy: -7.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1860.043769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.043769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.043769 (E_RNA)
where:
Base-Base interactions energy: -1313.248
where: short stacking energy: -530.338
Base-Backbone interact. energy: -2.162
local terms energy: -544.633383
where:
bonds (distance) C4'-P energy: -98.427
bonds (distance) P-C4' energy: -107.739
flat angles C4'-P-C4' energy: -109.578
flat angles P-C4'-P energy: -75.458
tors. eta vs tors. theta energy: -153.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1740.736028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.736028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.736028 (E_RNA)
where:
Base-Base interactions energy: -1230.870
where: short stacking energy: -517.159
Base-Backbone interact. energy: -3.426
local terms energy: -506.439779
where:
bonds (distance) C4'-P energy: -83.469
bonds (distance) P-C4' energy: -106.571
flat angles C4'-P-C4' energy: -109.812
flat angles P-C4'-P energy: -70.736
tors. eta vs tors. theta energy: -135.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1706.590692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.590692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.590692 (E_RNA)
where:
Base-Base interactions energy: -1197.754
where: short stacking energy: -535.407
Base-Backbone interact. energy: -1.377
local terms energy: -507.459315
where:
bonds (distance) C4'-P energy: -93.460
bonds (distance) P-C4' energy: -100.995
flat angles C4'-P-C4' energy: -110.249
flat angles P-C4'-P energy: -67.024
tors. eta vs tors. theta energy: -135.732
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: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1645.930223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.930223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.930223 (E_RNA)
where:
Base-Base interactions energy: -1146.053
where: short stacking energy: -464.595
Base-Backbone interact. energy: -2.302
local terms energy: -497.575925
where:
bonds (distance) C4'-P energy: -79.928
bonds (distance) P-C4' energy: -108.109
flat angles C4'-P-C4' energy: -102.977
flat angles P-C4'-P energy: -70.984
tors. eta vs tors. theta energy: -135.579
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: 192
Temperature: 1.100000
Total energy: -1591.250486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.250486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.250486 (E_RNA)
where:
Base-Base interactions energy: -1117.978
where: short stacking energy: -443.092
Base-Backbone interact. energy: -1.215
local terms energy: -472.057863
where:
bonds (distance) C4'-P energy: -86.096
bonds (distance) P-C4' energy: -94.075
flat angles C4'-P-C4' energy: -112.907
flat angles P-C4'-P energy: -62.313
tors. eta vs tors. theta energy: -116.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1548.348678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.348678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.348678 (E_RNA)
where:
Base-Base interactions energy: -1068.158
where: short stacking energy: -427.320
Base-Backbone interact. energy: -0.697
local terms energy: -479.493666
where:
bonds (distance) C4'-P energy: -103.990
bonds (distance) P-C4' energy: -75.636
flat angles C4'-P-C4' energy: -103.135
flat angles P-C4'-P energy: -69.753
tors. eta vs tors. theta energy: -126.980
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: 7, replica: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1334.275343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.275343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.275343 (E_RNA)
where:
Base-Base interactions energy: -940.024
where: short stacking energy: -388.557
Base-Backbone interact. energy: -0.779
local terms energy: -393.472307
where:
bonds (distance) C4'-P energy: -67.911
bonds (distance) P-C4' energy: -87.377
flat angles C4'-P-C4' energy: -98.193
flat angles P-C4'-P energy: -45.680
tors. eta vs tors. theta energy: -94.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1040.380028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.380028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.380028 (E_RNA)
where:
Base-Base interactions energy: -650.292
where: short stacking energy: -274.570
Base-Backbone interact. energy: -1.022
local terms energy: -389.065894
where:
bonds (distance) C4'-P energy: -93.408
bonds (distance) P-C4' energy: -93.085
flat angles C4'-P-C4' energy: -84.958
flat angles P-C4'-P energy: -62.427
tors. eta vs tors. theta energy: -55.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -722.452629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.452629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.452629 (E_RNA)
where:
Base-Base interactions energy: -397.155
where: short stacking energy: -215.565
Base-Backbone interact. energy: 1.482
local terms energy: -326.779577
where:
bonds (distance) C4'-P energy: -89.633
bonds (distance) P-C4' energy: -75.772
flat angles C4'-P-C4' energy: -87.189
flat angles P-C4'-P energy: -51.588
tors. eta vs tors. theta energy: -22.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -580.945588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.945588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.945588 (E_RNA)
where:
Base-Base interactions energy: -293.396
where: short stacking energy: -165.220
Base-Backbone interact. energy: 1.960
local terms energy: -289.509473
where:
bonds (distance) C4'-P energy: -90.818
bonds (distance) P-C4' energy: -85.370
flat angles C4'-P-C4' energy: -69.536
flat angles P-C4'-P energy: -36.966
tors. eta vs tors. theta energy: -6.819
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: 193
Temperature: 0.900000
Total energy: -1880.925811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.925811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.925811 (E_RNA)
where:
Base-Base interactions energy: -1326.562
where: short stacking energy: -540.160
Base-Backbone interact. energy: -0.740
local terms energy: -553.623528
where:
bonds (distance) C4'-P energy: -85.733
bonds (distance) P-C4' energy: -111.106
flat angles C4'-P-C4' energy: -127.234
flat angles P-C4'-P energy: -80.146
tors. eta vs tors. theta energy: -149.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1750.226344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.226344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.226344 (E_RNA)
where:
Base-Base interactions energy: -1214.402
where: short stacking energy: -505.481
Base-Backbone interact. energy: -1.262
local terms energy: -534.562371
where:
bonds (distance) C4'-P energy: -100.825
bonds (distance) P-C4' energy: -99.225
flat angles C4'-P-C4' energy: -121.708
flat angles P-C4'-P energy: -76.542
tors. eta vs tors. theta energy: -136.262
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: 4
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1703.369504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.369504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.369504 (E_RNA)
where:
Base-Base interactions energy: -1181.223
where: short stacking energy: -500.935
Base-Backbone interact. energy: -1.637
local terms energy: -520.510232
where:
bonds (distance) C4'-P energy: -91.066
bonds (distance) P-C4' energy: -111.004
flat angles C4'-P-C4' energy: -114.919
flat angles P-C4'-P energy: -70.641
tors. eta vs tors. theta energy: -132.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1692.658566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.658566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.658566 (E_RNA)
where:
Base-Base interactions energy: -1218.465
where: short stacking energy: -507.041
Base-Backbone interact. energy: -3.707
local terms energy: -470.486741
where:
bonds (distance) C4'-P energy: -97.345
bonds (distance) P-C4' energy: -74.798
flat angles C4'-P-C4' energy: -104.390
flat angles P-C4'-P energy: -55.685
tors. eta vs tors. theta energy: -138.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1573.845350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.845350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.845350 (E_RNA)
where:
Base-Base interactions energy: -1108.346
where: short stacking energy: -441.570
Base-Backbone interact. energy: 0.575
local terms energy: -466.074425
where:
bonds (distance) C4'-P energy: -83.758
bonds (distance) P-C4' energy: -85.383
flat angles C4'-P-C4' energy: -118.780
flat angles P-C4'-P energy: -59.829
tors. eta vs tors. theta energy: -118.325
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: 6, replica: 6
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1457.213793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.213793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.213793 (E_RNA)
where:
Base-Base interactions energy: -987.161
where: short stacking energy: -409.382
Base-Backbone interact. energy: 2.488
local terms energy: -472.540350
where:
bonds (distance) C4'-P energy: -107.856
bonds (distance) P-C4' energy: -88.718
flat angles C4'-P-C4' energy: -102.805
flat angles P-C4'-P energy: -62.109
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: 8
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1372.769013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.769013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.769013 (E_RNA)
where:
Base-Base interactions energy: -941.002
where: short stacking energy: -394.363
Base-Backbone interact. energy: 1.242
local terms energy: -433.008986
where:
bonds (distance) C4'-P energy: -98.643
bonds (distance) P-C4' energy: -83.426
flat angles C4'-P-C4' energy: -93.313
flat angles P-C4'-P energy: -54.448
tors. eta vs tors. theta energy: -103.179
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: 193
Temperature: 1.250000
Total energy: -1057.229971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.229971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.229971 (E_RNA)
where:
Base-Base interactions energy: -694.817
where: short stacking energy: -285.373
Base-Backbone interact. energy: -2.686
local terms energy: -359.727159
where:
bonds (distance) C4'-P energy: -71.088
bonds (distance) P-C4' energy: -90.281
flat angles C4'-P-C4' energy: -100.986
flat angles P-C4'-P energy: -40.932
tors. eta vs tors. theta energy: -56.440
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: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -764.920706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.920706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.920706 (E_RNA)
where:
Base-Base interactions energy: -448.206
where: short stacking energy: -238.008
Base-Backbone interact. energy: -0.636
local terms energy: -316.078740
where:
bonds (distance) C4'-P energy: -77.615
bonds (distance) P-C4' energy: -94.690
flat angles C4'-P-C4' energy: -74.049
flat angles P-C4'-P energy: -34.155
tors. eta vs tors. theta energy: -35.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -566.816318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.816318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.816318 (E_RNA)
where:
Base-Base interactions energy: -274.758
where: short stacking energy: -188.820
Base-Backbone interact. energy: -0.237
local terms energy: -291.820918
where:
bonds (distance) C4'-P energy: -85.020
bonds (distance) P-C4' energy: -88.511
flat angles C4'-P-C4' energy: -74.050
flat angles P-C4'-P energy: -38.185
tors. eta vs tors. theta energy: -6.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1870.195182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.195182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.195182 (E_RNA)
where:
Base-Base interactions energy: -1334.465
where: short stacking energy: -535.724
Base-Backbone interact. energy: -0.713
local terms energy: -535.017664
where:
bonds (distance) C4'-P energy: -96.038
bonds (distance) P-C4' energy: -98.689
flat angles C4'-P-C4' energy: -118.138
flat angles P-C4'-P energy: -81.799
tors. eta vs tors. theta energy: -140.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1772.562757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.562757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.562757 (E_RNA)
where:
Base-Base interactions energy: -1239.095
where: short stacking energy: -507.008
Base-Backbone interact. energy: 0.477
local terms energy: -533.945090
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -106.873
flat angles C4'-P-C4' energy: -108.295
flat angles P-C4'-P energy: -78.331
tors. eta vs tors. theta energy: -145.994
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: 3, replica: 4
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1732.414985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.414985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.414985 (E_RNA)
where:
Base-Base interactions energy: -1205.692
where: short stacking energy: -511.789
Base-Backbone interact. energy: -2.397
local terms energy: -524.326132
where:
bonds (distance) C4'-P energy: -102.261
bonds (distance) P-C4' energy: -97.430
flat angles C4'-P-C4' energy: -113.235
flat angles P-C4'-P energy: -82.441
tors. eta vs tors. theta energy: -128.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1621.744697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.744697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.744697 (E_RNA)
where:
Base-Base interactions energy: -1152.186
where: short stacking energy: -503.871
Base-Backbone interact. energy: 4.246
local terms energy: -473.804963
where:
bonds (distance) C4'-P energy: -83.280
bonds (distance) P-C4' energy: -83.694
flat angles C4'-P-C4' energy: -111.097
flat angles P-C4'-P energy: -63.743
tors. eta vs tors. theta energy: -131.990
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: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1563.698995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.698995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.698995 (E_RNA)
where:
Base-Base interactions energy: -1084.051
where: short stacking energy: -438.275
Base-Backbone interact. energy: -0.592
local terms energy: -479.056042
where:
bonds (distance) C4'-P energy: -89.468
bonds (distance) P-C4' energy: -100.832
flat angles C4'-P-C4' energy: -112.149
flat angles P-C4'-P energy: -63.353
tors. eta vs tors. theta energy: -113.255
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: 6
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1486.679256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.679256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.679256 (E_RNA)
where:
Base-Base interactions energy: -1034.117
where: short stacking energy: -458.142
Base-Backbone interact. energy: -1.169
local terms energy: -451.393100
where:
bonds (distance) C4'-P energy: -94.060
bonds (distance) P-C4' energy: -82.397
flat angles C4'-P-C4' energy: -103.459
flat angles P-C4'-P energy: -57.900
tors. eta vs tors. theta energy: -113.576
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: 7, replica: 8
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1373.264638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.264638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.264638 (E_RNA)
where:
Base-Base interactions energy: -962.964
where: short stacking energy: -382.039
Base-Backbone interact. energy: -3.375
local terms energy: -406.925594
where:
bonds (distance) C4'-P energy: -74.612
bonds (distance) P-C4' energy: -93.572
flat angles C4'-P-C4' energy: -98.964
flat angles P-C4'-P energy: -56.093
tors. eta vs tors. theta energy: -83.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1042.777751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.777751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.777751 (E_RNA)
where:
Base-Base interactions energy: -662.563
where: short stacking energy: -281.863
Base-Backbone interact. energy: 2.333
local terms energy: -382.548230
where:
bonds (distance) C4'-P energy: -84.705
bonds (distance) P-C4' energy: -91.068
flat angles C4'-P-C4' energy: -97.366
flat angles P-C4'-P energy: -56.936
tors. eta vs tors. theta energy: -52.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -714.354199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.354199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.354199 (E_RNA)
where:
Base-Base interactions energy: -410.484
where: short stacking energy: -185.114
Base-Backbone interact. energy: -2.819
local terms energy: -301.050925
where:
bonds (distance) C4'-P energy: -66.267
bonds (distance) P-C4' energy: -90.133
flat angles C4'-P-C4' energy: -69.360
flat angles P-C4'-P energy: -50.726
tors. eta vs tors. theta energy: -24.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -564.964158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.964158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.964158 (E_RNA)
where:
Base-Base interactions energy: -264.461
where: short stacking energy: -155.206
Base-Backbone interact. energy: -1.321
local terms energy: -299.182172
where:
bonds (distance) C4'-P energy: -80.379
bonds (distance) P-C4' energy: -101.944
flat angles C4'-P-C4' energy: -78.495
flat angles P-C4'-P energy: -42.263
tors. eta vs tors. theta energy: 3.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1860.010561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.010561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.010561 (E_RNA)
where:
Base-Base interactions energy: -1326.197
where: short stacking energy: -526.875
Base-Backbone interact. energy: 4.315
local terms energy: -538.128867
where:
bonds (distance) C4'-P energy: -92.827
bonds (distance) P-C4' energy: -104.451
flat angles C4'-P-C4' energy: -118.726
flat angles P-C4'-P energy: -79.569
tors. eta vs tors. theta energy: -142.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1816.171221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.171221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.171221 (E_RNA)
where:
Base-Base interactions energy: -1263.212
where: short stacking energy: -520.577
Base-Backbone interact. energy: 1.327
local terms energy: -554.286494
where:
bonds (distance) C4'-P energy: -105.295
bonds (distance) P-C4' energy: -96.133
flat angles C4'-P-C4' energy: -121.918
flat angles P-C4'-P energy: -90.293
tors. eta vs tors. theta energy: -140.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1688.153703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.153703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.153703 (E_RNA)
where:
Base-Base interactions energy: -1198.989
where: short stacking energy: -492.554
Base-Backbone interact. energy: 0.997
local terms energy: -490.161921
where:
bonds (distance) C4'-P energy: -102.192
bonds (distance) P-C4' energy: -100.073
flat angles C4'-P-C4' energy: -109.383
flat angles P-C4'-P energy: -59.215
tors. eta vs tors. theta energy: -119.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1636.156207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.156207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.156207 (E_RNA)
where:
Base-Base interactions energy: -1135.403
where: short stacking energy: -473.451
Base-Backbone interact. energy: -1.868
local terms energy: -498.884669
where:
bonds (distance) C4'-P energy: -104.910
bonds (distance) P-C4' energy: -97.303
flat angles C4'-P-C4' energy: -100.361
flat angles P-C4'-P energy: -78.660
tors. eta vs tors. theta energy: -117.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1567.209244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.209244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.209244 (E_RNA)
where:
Base-Base interactions energy: -1078.684
where: short stacking energy: -435.541
Base-Backbone interact. energy: 0.081
local terms energy: -488.606398
where:
bonds (distance) C4'-P energy: -104.682
bonds (distance) P-C4' energy: -95.957
flat angles C4'-P-C4' energy: -108.243
flat angles P-C4'-P energy: -70.306
tors. eta vs tors. theta energy: -109.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1478.603743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.603743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.603743 (E_RNA)
where:
Base-Base interactions energy: -1006.731
where: short stacking energy: -428.847
Base-Backbone interact. energy: -2.404
local terms energy: -469.468590
where:
bonds (distance) C4'-P energy: -88.109
bonds (distance) P-C4' energy: -87.006
flat angles C4'-P-C4' energy: -113.898
flat angles P-C4'-P energy: -73.028
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: 7, replica: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1364.177709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.177709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.177709 (E_RNA)
where:
Base-Base interactions energy: -945.792
where: short stacking energy: -402.098
Base-Backbone interact. energy: -3.838
local terms energy: -414.548466
where:
bonds (distance) C4'-P energy: -89.698
bonds (distance) P-C4' energy: -83.839
flat angles C4'-P-C4' energy: -93.720
flat angles P-C4'-P energy: -60.983
tors. eta vs tors. theta energy: -86.308
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: 195
Temperature: 1.250000
Total energy: -1020.339593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.339593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.339593 (E_RNA)
where:
Base-Base interactions energy: -644.323
where: short stacking energy: -291.783
Base-Backbone interact. energy: 1.666
local terms energy: -377.682483
where:
bonds (distance) C4'-P energy: -72.148
bonds (distance) P-C4' energy: -95.129
flat angles C4'-P-C4' energy: -90.484
flat angles P-C4'-P energy: -56.229
tors. eta vs tors. theta energy: -63.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -726.002989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.002989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.002989 (E_RNA)
where:
Base-Base interactions energy: -418.729
where: short stacking energy: -234.102
Base-Backbone interact. energy: 3.268
local terms energy: -310.542710
where:
bonds (distance) C4'-P energy: -75.730
bonds (distance) P-C4' energy: -90.331
flat angles C4'-P-C4' energy: -71.738
flat angles P-C4'-P energy: -41.415
tors. eta vs tors. theta energy: -31.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -558.176757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.176757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.176757 (E_RNA)
where:
Base-Base interactions energy: -258.224
where: short stacking energy: -160.930
Base-Backbone interact. energy: 3.320
local terms energy: -303.272613
where:
bonds (distance) C4'-P energy: -91.344
bonds (distance) P-C4' energy: -86.896
flat angles C4'-P-C4' energy: -76.333
flat angles P-C4'-P energy: -56.105
tors. eta vs tors. theta energy: 7.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1875.308196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.308196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.308196 (E_RNA)
where:
Base-Base interactions energy: -1341.198
where: short stacking energy: -513.789
Base-Backbone interact. energy: -0.983
local terms energy: -533.127700
where:
bonds (distance) C4'-P energy: -92.996
bonds (distance) P-C4' energy: -106.047
flat angles C4'-P-C4' energy: -116.196
flat angles P-C4'-P energy: -86.962
tors. eta vs tors. theta energy: -130.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1794.086350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.086350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.086350 (E_RNA)
where:
Base-Base interactions energy: -1243.030
where: short stacking energy: -538.631
Base-Backbone interact. energy: -4.127
local terms energy: -546.929361
where:
bonds (distance) C4'-P energy: -107.228
bonds (distance) P-C4' energy: -107.454
flat angles C4'-P-C4' energy: -113.057
flat angles P-C4'-P energy: -68.464
tors. eta vs tors. theta energy: -150.726
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: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1701.757779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.757779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.757779 (E_RNA)
where:
Base-Base interactions energy: -1188.635
where: short stacking energy: -488.772
Base-Backbone interact. energy: -2.877
local terms energy: -510.246091
where:
bonds (distance) C4'-P energy: -97.890
bonds (distance) P-C4' energy: -95.980
flat angles C4'-P-C4' energy: -110.770
flat angles P-C4'-P energy: -78.023
tors. eta vs tors. theta energy: -127.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1665.798964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.798964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.798964 (E_RNA)
where:
Base-Base interactions energy: -1155.636
where: short stacking energy: -485.480
Base-Backbone interact. energy: -2.044
local terms energy: -508.119013
where:
bonds (distance) C4'-P energy: -95.324
bonds (distance) P-C4' energy: -85.553
flat angles C4'-P-C4' energy: -110.843
flat angles P-C4'-P energy: -80.245
tors. eta vs tors. theta energy: -136.154
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: 196
Temperature: 1.100000
Total energy: -1519.079515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.079515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.079515 (E_RNA)
where:
Base-Base interactions energy: -1052.032
where: short stacking energy: -409.133
Base-Backbone interact. energy: 2.457
local terms energy: -469.504410
where:
bonds (distance) C4'-P energy: -93.980
bonds (distance) P-C4' energy: -101.543
flat angles C4'-P-C4' energy: -99.818
flat angles P-C4'-P energy: -68.670
tors. eta vs tors. theta energy: -105.493
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: 6, replica: 6
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1447.992140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.992140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.992140 (E_RNA)
where:
Base-Base interactions energy: -1001.886
where: short stacking energy: -435.899
Base-Backbone interact. energy: -0.315
local terms energy: -445.791644
where:
bonds (distance) C4'-P energy: -82.237
bonds (distance) P-C4' energy: -85.822
flat angles C4'-P-C4' energy: -106.396
flat angles P-C4'-P energy: -61.995
tors. eta vs tors. theta energy: -109.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1363.473143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.473143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.473143 (E_RNA)
where:
Base-Base interactions energy: -957.637
where: short stacking energy: -410.353
Base-Backbone interact. energy: 1.131
local terms energy: -406.966682
where:
bonds (distance) C4'-P energy: -93.133
bonds (distance) P-C4' energy: -75.817
flat angles C4'-P-C4' energy: -83.564
flat angles P-C4'-P energy: -58.757
tors. eta vs tors. theta energy: -95.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1063.279263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.279263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.279263 (E_RNA)
where:
Base-Base interactions energy: -672.419
where: short stacking energy: -289.340
Base-Backbone interact. energy: 0.919
local terms energy: -391.780027
where:
bonds (distance) C4'-P energy: -95.055
bonds (distance) P-C4' energy: -88.716
flat angles C4'-P-C4' energy: -98.760
flat angles P-C4'-P energy: -55.912
tors. eta vs tors. theta energy: -53.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -702.913587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.913587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.913587 (E_RNA)
where:
Base-Base interactions energy: -398.914
where: short stacking energy: -187.372
Base-Backbone interact. energy: 3.971
local terms energy: -307.970766
where:
bonds (distance) C4'-P energy: -95.748
bonds (distance) P-C4' energy: -86.439
flat angles C4'-P-C4' energy: -69.006
flat angles P-C4'-P energy: -50.877
tors. eta vs tors. theta energy: -5.901
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: 196
Temperature: 1.350000
Total energy: -539.833723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.833723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.833723 (E_RNA)
where:
Base-Base interactions energy: -263.986
where: short stacking energy: -165.604
Base-Backbone interact. energy: 3.687
local terms energy: -279.534725
where:
bonds (distance) C4'-P energy: -71.936
bonds (distance) P-C4' energy: -81.170
flat angles C4'-P-C4' energy: -79.807
flat angles P-C4'-P energy: -45.415
tors. eta vs tors. theta energy: -1.207
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: 197
Temperature: 0.900000
Total energy: -1884.765399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.765399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.765399 (E_RNA)
where:
Base-Base interactions energy: -1341.929
where: short stacking energy: -537.382
Base-Backbone interact. energy: 0.256
local terms energy: -543.092343
where:
bonds (distance) C4'-P energy: -97.853
bonds (distance) P-C4' energy: -106.246
flat angles C4'-P-C4' energy: -109.189
flat angles P-C4'-P energy: -85.400
tors. eta vs tors. theta energy: -144.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1807.017834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.017834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.017834 (E_RNA)
where:
Base-Base interactions energy: -1269.684
where: short stacking energy: -534.658
Base-Backbone interact. energy: -2.480
local terms energy: -534.854193
where:
bonds (distance) C4'-P energy: -93.962
bonds (distance) P-C4' energy: -96.897
flat angles C4'-P-C4' energy: -121.889
flat angles P-C4'-P energy: -75.650
tors. eta vs tors. theta energy: -146.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1684.792563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.792563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.792563 (E_RNA)
where:
Base-Base interactions energy: -1165.837
where: short stacking energy: -503.210
Base-Backbone interact. energy: -5.087
local terms energy: -513.869429
where:
bonds (distance) C4'-P energy: -97.105
bonds (distance) P-C4' energy: -108.859
flat angles C4'-P-C4' energy: -117.176
flat angles P-C4'-P energy: -63.433
tors. eta vs tors. theta energy: -127.297
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: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1657.725140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.725140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.725140 (E_RNA)
where:
Base-Base interactions energy: -1155.048
where: short stacking energy: -504.232
Base-Backbone interact. energy: -2.319
local terms energy: -500.358389
where:
bonds (distance) C4'-P energy: -91.520
bonds (distance) P-C4' energy: -92.840
flat angles C4'-P-C4' energy: -115.553
flat angles P-C4'-P energy: -68.322
tors. eta vs tors. theta energy: -132.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1557.976159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.976159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.976159 (E_RNA)
where:
Base-Base interactions energy: -1072.975
where: short stacking energy: -445.234
Base-Backbone interact. energy: -0.648
local terms energy: -484.352667
where:
bonds (distance) C4'-P energy: -98.474
bonds (distance) P-C4' energy: -86.515
flat angles C4'-P-C4' energy: -104.783
flat angles P-C4'-P energy: -76.299
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: 6, replica: 6
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1463.723633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.723633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.723633 (E_RNA)
where:
Base-Base interactions energy: -970.983
where: short stacking energy: -427.736
Base-Backbone interact. energy: -0.180
local terms energy: -492.560620
where:
bonds (distance) C4'-P energy: -106.581
bonds (distance) P-C4' energy: -96.525
flat angles C4'-P-C4' energy: -100.784
flat angles P-C4'-P energy: -74.864
tors. eta vs tors. theta energy: -113.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1365.025398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.025398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.025398 (E_RNA)
where:
Base-Base interactions energy: -915.042
where: short stacking energy: -380.792
Base-Backbone interact. energy: 0.343
local terms energy: -450.325551
where:
bonds (distance) C4'-P energy: -97.465
bonds (distance) P-C4' energy: -110.304
flat angles C4'-P-C4' energy: -92.947
flat angles P-C4'-P energy: -61.541
tors. eta vs tors. theta energy: -88.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1064.988006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.988006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.988006 (E_RNA)
where:
Base-Base interactions energy: -663.845
where: short stacking energy: -298.422
Base-Backbone interact. energy: -0.996
local terms energy: -400.147256
where:
bonds (distance) C4'-P energy: -101.858
bonds (distance) P-C4' energy: -88.848
flat angles C4'-P-C4' energy: -90.722
flat angles P-C4'-P energy: -58.214
tors. eta vs tors. theta energy: -60.505
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: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -719.698603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.698603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.698603 (E_RNA)
where:
Base-Base interactions energy: -394.791
where: short stacking energy: -201.595
Base-Backbone interact. energy: -1.717
local terms energy: -323.190928
where:
bonds (distance) C4'-P energy: -79.550
bonds (distance) P-C4' energy: -92.725
flat angles C4'-P-C4' energy: -88.997
flat angles P-C4'-P energy: -36.437
tors. eta vs tors. theta energy: -25.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -531.989057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.989057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.989057 (E_RNA)
where:
Base-Base interactions energy: -254.987
where: short stacking energy: -136.594
Base-Backbone interact. energy: -1.465
local terms energy: -275.536583
where:
bonds (distance) C4'-P energy: -80.902
bonds (distance) P-C4' energy: -94.512
flat angles C4'-P-C4' energy: -82.597
flat angles P-C4'-P energy: -37.237
tors. eta vs tors. theta energy: 19.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1881.747593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.747593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.747593 (E_RNA)
where:
Base-Base interactions energy: -1349.870
where: short stacking energy: -555.796
Base-Backbone interact. energy: -1.589
local terms energy: -530.287882
where:
bonds (distance) C4'-P energy: -94.702
bonds (distance) P-C4' energy: -110.584
flat angles C4'-P-C4' energy: -112.505
flat angles P-C4'-P energy: -64.450
tors. eta vs tors. theta energy: -148.048
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: 198
Temperature: 0.950000
Total energy: -1800.353753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.353753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.353753 (E_RNA)
where:
Base-Base interactions energy: -1243.299
where: short stacking energy: -534.004
Base-Backbone interact. energy: -2.362
local terms energy: -554.692790
where:
bonds (distance) C4'-P energy: -98.443
bonds (distance) P-C4' energy: -109.530
flat angles C4'-P-C4' energy: -112.344
flat angles P-C4'-P energy: -87.083
tors. eta vs tors. theta energy: -147.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1696.552944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.552944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.552944 (E_RNA)
where:
Base-Base interactions energy: -1194.357
where: short stacking energy: -502.790
Base-Backbone interact. energy: 1.932
local terms energy: -504.127730
where:
bonds (distance) C4'-P energy: -95.115
bonds (distance) P-C4' energy: -90.133
flat angles C4'-P-C4' energy: -109.001
flat angles P-C4'-P energy: -64.591
tors. eta vs tors. theta energy: -145.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1602.279442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.279442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.279442 (E_RNA)
where:
Base-Base interactions energy: -1142.798
where: short stacking energy: -463.340
Base-Backbone interact. energy: -3.286
local terms energy: -456.195856
where:
bonds (distance) C4'-P energy: -89.082
bonds (distance) P-C4' energy: -84.995
flat angles C4'-P-C4' energy: -93.642
flat angles P-C4'-P energy: -73.116
tors. eta vs tors. theta energy: -115.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1523.581111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.581111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.581111 (E_RNA)
where:
Base-Base interactions energy: -1050.334
where: short stacking energy: -451.610
Base-Backbone interact. energy: -1.223
local terms energy: -472.024674
where:
bonds (distance) C4'-P energy: -95.862
bonds (distance) P-C4' energy: -96.543
flat angles C4'-P-C4' energy: -106.906
flat angles P-C4'-P energy: -68.830
tors. eta vs tors. theta energy: -103.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1465.061260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.061260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.061260 (E_RNA)
where:
Base-Base interactions energy: -994.143
where: short stacking energy: -428.912
Base-Backbone interact. energy: -1.557
local terms energy: -469.360875
where:
bonds (distance) C4'-P energy: -72.791
bonds (distance) P-C4' energy: -90.570
flat angles C4'-P-C4' energy: -114.467
flat angles P-C4'-P energy: -76.334
tors. eta vs tors. theta energy: -115.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1376.272291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.272291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.272291 (E_RNA)
where:
Base-Base interactions energy: -942.602
where: short stacking energy: -408.739
Base-Backbone interact. energy: -0.247
local terms energy: -433.423131
where:
bonds (distance) C4'-P energy: -92.488
bonds (distance) P-C4' energy: -88.142
flat angles C4'-P-C4' energy: -102.490
flat angles P-C4'-P energy: -54.307
tors. eta vs tors. theta energy: -95.996
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: 198
Temperature: 1.250000
Total energy: -1092.043418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.043418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.043418 (E_RNA)
where:
Base-Base interactions energy: -690.651
where: short stacking energy: -318.075
Base-Backbone interact. energy: 0.056
local terms energy: -401.449011
where:
bonds (distance) C4'-P energy: -94.039
bonds (distance) P-C4' energy: -86.850
flat angles C4'-P-C4' energy: -92.124
flat angles P-C4'-P energy: -58.749
tors. eta vs tors. theta energy: -69.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -721.646272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.646272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.646272 (E_RNA)
where:
Base-Base interactions energy: -423.575
where: short stacking energy: -213.493
Base-Backbone interact. energy: 1.969
local terms energy: -300.040249
where:
bonds (distance) C4'-P energy: -79.538
bonds (distance) P-C4' energy: -90.652
flat angles C4'-P-C4' energy: -62.238
flat angles P-C4'-P energy: -51.415
tors. eta vs tors. theta energy: -16.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -600.421156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.421156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.421156 (E_RNA)
where:
Base-Base interactions energy: -311.213
where: short stacking energy: -176.016
Base-Backbone interact. energy: 1.835
local terms energy: -291.042967
where:
bonds (distance) C4'-P energy: -65.710
bonds (distance) P-C4' energy: -83.198
flat angles C4'-P-C4' energy: -76.187
flat angles P-C4'-P energy: -61.435
tors. eta vs tors. theta energy: -4.513
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: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1881.291380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.291380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.291380 (E_RNA)
where:
Base-Base interactions energy: -1307.991
where: short stacking energy: -536.297
Base-Backbone interact. energy: -3.598
local terms energy: -569.702560
where:
bonds (distance) C4'-P energy: -113.739
bonds (distance) P-C4' energy: -114.291
flat angles C4'-P-C4' energy: -116.276
flat angles P-C4'-P energy: -80.844
tors. eta vs tors. theta energy: -144.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1828.488329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.488329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.488329 (E_RNA)
where:
Base-Base interactions energy: -1290.622
where: short stacking energy: -535.992
Base-Backbone interact. energy: 1.614
local terms energy: -539.479579
where:
bonds (distance) C4'-P energy: -100.502
bonds (distance) P-C4' energy: -90.295
flat angles C4'-P-C4' energy: -112.132
flat angles P-C4'-P energy: -87.771
tors. eta vs tors. theta energy: -148.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1670.613797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.613797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.613797 (E_RNA)
where:
Base-Base interactions energy: -1160.427
where: short stacking energy: -506.872
Base-Backbone interact. energy: -0.760
local terms energy: -509.427060
where:
bonds (distance) C4'-P energy: -89.843
bonds (distance) P-C4' energy: -104.086
flat angles C4'-P-C4' energy: -109.419
flat angles P-C4'-P energy: -77.402
tors. eta vs tors. theta energy: -128.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1606.042874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.042874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.042874 (E_RNA)
where:
Base-Base interactions energy: -1115.751
where: short stacking energy: -450.112
Base-Backbone interact. energy: -1.960
local terms energy: -488.331916
where:
bonds (distance) C4'-P energy: -91.301
bonds (distance) P-C4' energy: -94.572
flat angles C4'-P-C4' energy: -106.040
flat angles P-C4'-P energy: -80.172
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: 5, replica: 3
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1548.872921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.872921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.872921 (E_RNA)
where:
Base-Base interactions energy: -1076.652
where: short stacking energy: -478.885
Base-Backbone interact. energy: 0.185
local terms energy: -472.405736
where:
bonds (distance) C4'-P energy: -89.581
bonds (distance) P-C4' energy: -95.681
flat angles C4'-P-C4' energy: -103.054
flat angles P-C4'-P energy: -58.482
tors. eta vs tors. theta energy: -125.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1488.061968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.061968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.061968 (E_RNA)
where:
Base-Base interactions energy: -1012.825
where: short stacking energy: -438.975
Base-Backbone interact. energy: -3.543
local terms energy: -471.693805
where:
bonds (distance) C4'-P energy: -82.413
bonds (distance) P-C4' energy: -84.737
flat angles C4'-P-C4' energy: -114.512
flat angles P-C4'-P energy: -74.875
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: 7, replica: 6
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1460.877711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.877711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.877711 (E_RNA)
where:
Base-Base interactions energy: -997.083
where: short stacking energy: -433.018
Base-Backbone interact. energy: -0.960
local terms energy: -462.834983
where:
bonds (distance) C4'-P energy: -78.225
bonds (distance) P-C4' energy: -110.820
flat angles C4'-P-C4' energy: -101.736
flat angles P-C4'-P energy: -63.270
tors. eta vs tors. theta energy: -108.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1029.495236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.495236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.495236 (E_RNA)
where:
Base-Base interactions energy: -649.553
where: short stacking energy: -318.365
Base-Backbone interact. energy: -0.237
local terms energy: -379.705520
where:
bonds (distance) C4'-P energy: -76.613
bonds (distance) P-C4' energy: -85.981
flat angles C4'-P-C4' energy: -76.808
flat angles P-C4'-P energy: -66.575
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: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -708.429345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.429345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.429345 (E_RNA)
where:
Base-Base interactions energy: -393.882
where: short stacking energy: -214.269
Base-Backbone interact. energy: -1.042
local terms energy: -313.505127
where:
bonds (distance) C4'-P energy: -84.242
bonds (distance) P-C4' energy: -101.259
flat angles C4'-P-C4' energy: -77.428
flat angles P-C4'-P energy: -39.435
tors. eta vs tors. theta energy: -11.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -605.702325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.702325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.702325 (E_RNA)
where:
Base-Base interactions energy: -311.874
where: short stacking energy: -196.583
Base-Backbone interact. energy: 2.890
local terms energy: -296.718381
where:
bonds (distance) C4'-P energy: -84.146
bonds (distance) P-C4' energy: -93.611
flat angles C4'-P-C4' energy: -67.978
flat angles P-C4'-P energy: -39.973
tors. eta vs tors. theta energy: -11.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1879.931709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.931709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.931709 (E_RNA)
where:
Base-Base interactions energy: -1344.364
where: short stacking energy: -534.289
Base-Backbone interact. energy: 3.496
local terms energy: -539.063926
where:
bonds (distance) C4'-P energy: -104.913
bonds (distance) P-C4' energy: -104.722
flat angles C4'-P-C4' energy: -126.313
flat angles P-C4'-P energy: -69.709
tors. eta vs tors. theta energy: -133.407
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: 2, replica: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1828.399236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.399236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.399236 (E_RNA)
where:
Base-Base interactions energy: -1285.305
where: short stacking energy: -514.883
Base-Backbone interact. energy: -3.395
local terms energy: -539.699556
where:
bonds (distance) C4'-P energy: -104.691
bonds (distance) P-C4' energy: -100.922
flat angles C4'-P-C4' energy: -109.622
flat angles P-C4'-P energy: -83.464
tors. eta vs tors. theta energy: -141.000
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: 3, replica: 5
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1660.687996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.687996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.687996 (E_RNA)
where:
Base-Base interactions energy: -1142.994
where: short stacking energy: -500.563
Base-Backbone interact. energy: 0.239
local terms energy: -517.933052
where:
bonds (distance) C4'-P energy: -107.681
bonds (distance) P-C4' energy: -90.518
flat angles C4'-P-C4' energy: -106.164
flat angles P-C4'-P energy: -72.560
tors. eta vs tors. theta energy: -141.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1623.653434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.653434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.653434 (E_RNA)
where:
Base-Base interactions energy: -1134.326
where: short stacking energy: -478.433
Base-Backbone interact. energy: -1.503
local terms energy: -487.824189
where:
bonds (distance) C4'-P energy: -98.603
bonds (distance) P-C4' energy: -96.438
flat angles C4'-P-C4' energy: -97.156
flat angles P-C4'-P energy: -64.856
tors. eta vs tors. theta energy: -130.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1469.755833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.755833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.755833 (E_RNA)
where:
Base-Base interactions energy: -985.960
where: short stacking energy: -426.739
Base-Backbone interact. energy: 1.195
local terms energy: -484.990346
where:
bonds (distance) C4'-P energy: -95.276
bonds (distance) P-C4' energy: -92.010
flat angles C4'-P-C4' energy: -118.425
flat angles P-C4'-P energy: -61.828
tors. eta vs tors. theta energy: -117.452
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: 3
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1473.554913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.554913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.554913 (E_RNA)
where:
Base-Base interactions energy: -1004.969
where: short stacking energy: -408.064
Base-Backbone interact. energy: -1.779
local terms energy: -466.806982
where:
bonds (distance) C4'-P energy: -96.837
bonds (distance) P-C4' energy: -98.499
flat angles C4'-P-C4' energy: -105.394
flat angles P-C4'-P energy: -64.287
tors. eta vs tors. theta energy: -101.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1371.538296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.538296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.538296 (E_RNA)
where:
Base-Base interactions energy: -923.919
where: short stacking energy: -408.496
Base-Backbone interact. energy: -2.566
local terms energy: -445.052720
where:
bonds (distance) C4'-P energy: -94.414
bonds (distance) P-C4' energy: -81.707
flat angles C4'-P-C4' energy: -104.040
flat angles P-C4'-P energy: -62.472
tors. eta vs tors. theta energy: -102.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -995.527913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.527913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.527913 (E_RNA)
where:
Base-Base interactions energy: -620.687
where: short stacking energy: -293.060
Base-Backbone interact. energy: 0.028
local terms energy: -374.868469
where:
bonds (distance) C4'-P energy: -75.865
bonds (distance) P-C4' energy: -100.181
flat angles C4'-P-C4' energy: -89.038
flat angles P-C4'-P energy: -50.500
tors. eta vs tors. theta energy: -59.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -692.923340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.923340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.923340 (E_RNA)
where:
Base-Base interactions energy: -383.552
where: short stacking energy: -213.421
Base-Backbone interact. energy: 8.356
local terms energy: -317.727292
where:
bonds (distance) C4'-P energy: -87.407
bonds (distance) P-C4' energy: -88.094
flat angles C4'-P-C4' energy: -80.497
flat angles P-C4'-P energy: -51.471
tors. eta vs tors. theta energy: -10.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -584.659321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.659321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.659321 (E_RNA)
where:
Base-Base interactions energy: -307.506
where: short stacking energy: -181.621
Base-Backbone interact. energy: -0.667
local terms energy: -276.486422
where:
bonds (distance) C4'-P energy: -71.201
bonds (distance) P-C4' energy: -79.047
flat angles C4'-P-C4' energy: -72.249
flat angles P-C4'-P energy: -50.112
tors. eta vs tors. theta energy: -3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1893.069329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.069329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.069329 (E_RNA)
where:
Base-Base interactions energy: -1351.975
where: short stacking energy: -533.605
Base-Backbone interact. energy: -0.155
local terms energy: -540.939229
where:
bonds (distance) C4'-P energy: -96.054
bonds (distance) P-C4' energy: -112.695
flat angles C4'-P-C4' energy: -125.019
flat angles P-C4'-P energy: -69.513
tors. eta vs tors. theta energy: -137.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1777.395058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.395058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.395058 (E_RNA)
where:
Base-Base interactions energy: -1247.922
where: short stacking energy: -514.989
Base-Backbone interact. energy: -3.242
local terms energy: -526.231305
where:
bonds (distance) C4'-P energy: -99.923
bonds (distance) P-C4' energy: -83.193
flat angles C4'-P-C4' energy: -107.424
flat angles P-C4'-P energy: -89.400
tors. eta vs tors. theta energy: -146.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1681.540446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.540446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.540446 (E_RNA)
where:
Base-Base interactions energy: -1148.223
where: short stacking energy: -489.207
Base-Backbone interact. energy: -1.060
local terms energy: -532.257908
where:
bonds (distance) C4'-P energy: -92.953
bonds (distance) P-C4' energy: -107.920
flat angles C4'-P-C4' energy: -121.468
flat angles P-C4'-P energy: -68.847
tors. eta vs tors. theta energy: -141.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1606.774428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.774428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.774428 (E_RNA)
where:
Base-Base interactions energy: -1117.436
where: short stacking energy: -473.597
Base-Backbone interact. energy: 1.448
local terms energy: -490.786879
where:
bonds (distance) C4'-P energy: -96.293
bonds (distance) P-C4' energy: -89.925
flat angles C4'-P-C4' energy: -117.274
flat angles P-C4'-P energy: -76.564
tors. eta vs tors. theta energy: -110.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1460.640964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.640964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.640964 (E_RNA)
where:
Base-Base interactions energy: -989.819
where: short stacking energy: -417.868
Base-Backbone interact. energy: -1.134
local terms energy: -469.688114
where:
bonds (distance) C4'-P energy: -99.859
bonds (distance) P-C4' energy: -95.784
flat angles C4'-P-C4' energy: -90.823
flat angles P-C4'-P energy: -76.908
tors. eta vs tors. theta energy: -106.315
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: 3
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1506.725737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.725737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.725737 (E_RNA)
where:
Base-Base interactions energy: -1032.310
where: short stacking energy: -462.192
Base-Backbone interact. energy: -0.415
local terms energy: -474.000648
where:
bonds (distance) C4'-P energy: -87.302
bonds (distance) P-C4' energy: -98.265
flat angles C4'-P-C4' energy: -101.817
flat angles P-C4'-P energy: -64.653
tors. eta vs tors. theta energy: -121.964
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: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1376.121892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.121892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.121892 (E_RNA)
where:
Base-Base interactions energy: -933.849
where: short stacking energy: -388.807
Base-Backbone interact. energy: -0.938
local terms energy: -441.335107
where:
bonds (distance) C4'-P energy: -84.529
bonds (distance) P-C4' energy: -85.880
flat angles C4'-P-C4' energy: -106.805
flat angles P-C4'-P energy: -65.965
tors. eta vs tors. theta energy: -98.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1024.193990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.193990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.193990 (E_RNA)
where:
Base-Base interactions energy: -640.432
where: short stacking energy: -311.459
Base-Backbone interact. energy: 2.240
local terms energy: -386.002173
where:
bonds (distance) C4'-P energy: -80.450
bonds (distance) P-C4' energy: -97.764
flat angles C4'-P-C4' energy: -84.976
flat angles P-C4'-P energy: -64.706
tors. eta vs tors. theta energy: -58.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -674.809929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.809929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.809929 (E_RNA)
where:
Base-Base interactions energy: -363.376
where: short stacking energy: -195.218
Base-Backbone interact. energy: -3.537
local terms energy: -307.897599
where:
bonds (distance) C4'-P energy: -78.854
bonds (distance) P-C4' energy: -101.382
flat angles C4'-P-C4' energy: -77.519
flat angles P-C4'-P energy: -43.338
tors. eta vs tors. theta energy: -6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -577.719954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.719954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.719954 (E_RNA)
where:
Base-Base interactions energy: -272.202
where: short stacking energy: -166.159
Base-Backbone interact. energy: 7.437
local terms energy: -312.954173
where:
bonds (distance) C4'-P energy: -87.586
bonds (distance) P-C4' energy: -89.997
flat angles C4'-P-C4' energy: -74.685
flat angles P-C4'-P energy: -60.778
tors. eta vs tors. theta energy: 0.091
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: 1
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1879.344105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.344105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.344105 (E_RNA)
where:
Base-Base interactions energy: -1340.868
where: short stacking energy: -545.027
Base-Backbone interact. energy: -1.386
local terms energy: -537.089528
where:
bonds (distance) C4'-P energy: -95.112
bonds (distance) P-C4' energy: -103.005
flat angles C4'-P-C4' energy: -121.526
flat angles P-C4'-P energy: -81.431
tors. eta vs tors. theta energy: -136.015
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: 202
Temperature: 0.950000
Total energy: -1803.572043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.572043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.572043 (E_RNA)
where:
Base-Base interactions energy: -1255.687
where: short stacking energy: -518.794
Base-Backbone interact. energy: -1.560
local terms energy: -546.325509
where:
bonds (distance) C4'-P energy: -108.875
bonds (distance) P-C4' energy: -107.850
flat angles C4'-P-C4' energy: -109.536
flat angles P-C4'-P energy: -78.045
tors. eta vs tors. theta energy: -142.019
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: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1680.656064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.656064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.656064 (E_RNA)
where:
Base-Base interactions energy: -1175.064
where: short stacking energy: -516.814
Base-Backbone interact. energy: 2.979
local terms energy: -508.571246
where:
bonds (distance) C4'-P energy: -90.762
bonds (distance) P-C4' energy: -77.292
flat angles C4'-P-C4' energy: -118.806
flat angles P-C4'-P energy: -83.311
tors. eta vs tors. theta energy: -138.400
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: 202
Temperature: 1.050000
Total energy: -1600.647925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.647925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.647925 (E_RNA)
where:
Base-Base interactions energy: -1096.310
where: short stacking energy: -464.387
Base-Backbone interact. energy: -1.702
local terms energy: -502.635697
where:
bonds (distance) C4'-P energy: -95.349
bonds (distance) P-C4' energy: -98.904
flat angles C4'-P-C4' energy: -114.040
flat angles P-C4'-P energy: -71.408
tors. eta vs tors. theta energy: -122.934
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: 5, replica: 8
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1452.798022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.798022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.798022 (E_RNA)
where:
Base-Base interactions energy: -1005.762
where: short stacking energy: -418.506
Base-Backbone interact. energy: -0.726
local terms energy: -446.309575
where:
bonds (distance) C4'-P energy: -90.070
bonds (distance) P-C4' energy: -95.168
flat angles C4'-P-C4' energy: -108.163
flat angles P-C4'-P energy: -64.048
tors. eta vs tors. theta energy: -88.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1471.997877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.997877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.997877 (E_RNA)
where:
Base-Base interactions energy: -1047.358
where: short stacking energy: -441.398
Base-Backbone interact. energy: 0.540
local terms energy: -425.179758
where:
bonds (distance) C4'-P energy: -87.431
bonds (distance) P-C4' energy: -88.421
flat angles C4'-P-C4' energy: -85.370
flat angles P-C4'-P energy: -54.301
tors. eta vs tors. theta energy: -109.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1361.379015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.379015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.379015 (E_RNA)
where:
Base-Base interactions energy: -951.099
where: short stacking energy: -384.055
Base-Backbone interact. energy: -1.901
local terms energy: -408.379157
where:
bonds (distance) C4'-P energy: -76.640
bonds (distance) P-C4' energy: -85.296
flat angles C4'-P-C4' energy: -96.396
flat angles P-C4'-P energy: -56.717
tors. eta vs tors. theta energy: -93.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1044.465010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.465010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.465010 (E_RNA)
where:
Base-Base interactions energy: -646.537
where: short stacking energy: -279.910
Base-Backbone interact. energy: -2.362
local terms energy: -395.565942
where:
bonds (distance) C4'-P energy: -82.029
bonds (distance) P-C4' energy: -94.761
flat angles C4'-P-C4' energy: -85.274
flat angles P-C4'-P energy: -64.059
tors. eta vs tors. theta energy: -69.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -697.436507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.436507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.436507 (E_RNA)
where:
Base-Base interactions energy: -373.803
where: short stacking energy: -216.649
Base-Backbone interact. energy: 0.443
local terms energy: -324.075969
where:
bonds (distance) C4'-P energy: -81.343
bonds (distance) P-C4' energy: -80.714
flat angles C4'-P-C4' energy: -86.140
flat angles P-C4'-P energy: -51.551
tors. eta vs tors. theta energy: -24.329
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: 202
Temperature: 1.350000
Total energy: -621.817394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.817394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.817394 (E_RNA)
where:
Base-Base interactions energy: -319.952
where: short stacking energy: -186.691
Base-Backbone interact. energy: 2.912
local terms energy: -304.778044
where:
bonds (distance) C4'-P energy: -84.985
bonds (distance) P-C4' energy: -97.941
flat angles C4'-P-C4' energy: -78.663
flat angles P-C4'-P energy: -40.634
tors. eta vs tors. theta energy: -2.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1870.213816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.213816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.213816 (E_RNA)
where:
Base-Base interactions energy: -1345.131
where: short stacking energy: -525.931
Base-Backbone interact. energy: -2.669
local terms energy: -522.414044
where:
bonds (distance) C4'-P energy: -87.561
bonds (distance) P-C4' energy: -107.573
flat angles C4'-P-C4' energy: -118.646
flat angles P-C4'-P energy: -70.152
tors. eta vs tors. theta energy: -138.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1782.517052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.517052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.517052 (E_RNA)
where:
Base-Base interactions energy: -1259.541
where: short stacking energy: -510.525
Base-Backbone interact. energy: -4.184
local terms energy: -518.791754
where:
bonds (distance) C4'-P energy: -99.386
bonds (distance) P-C4' energy: -100.916
flat angles C4'-P-C4' energy: -116.038
flat angles P-C4'-P energy: -65.786
tors. eta vs tors. theta energy: -136.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1685.585409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.585409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.585409 (E_RNA)
where:
Base-Base interactions energy: -1147.764
where: short stacking energy: -501.325
Base-Backbone interact. energy: -4.103
local terms energy: -533.718285
where:
bonds (distance) C4'-P energy: -93.770
bonds (distance) P-C4' energy: -100.623
flat angles C4'-P-C4' energy: -119.763
flat angles P-C4'-P energy: -80.181
tors. eta vs tors. theta energy: -139.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1579.736497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.736497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.736497 (E_RNA)
where:
Base-Base interactions energy: -1107.112
where: short stacking energy: -433.108
Base-Backbone interact. energy: -4.119
local terms energy: -468.505742
where:
bonds (distance) C4'-P energy: -95.212
bonds (distance) P-C4' energy: -92.951
flat angles C4'-P-C4' energy: -105.810
flat angles P-C4'-P energy: -74.545
tors. eta vs tors. theta energy: -99.988
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: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1452.017407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.017407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.017407 (E_RNA)
where:
Base-Base interactions energy: -1010.423
where: short stacking energy: -415.758
Base-Backbone interact. energy: -0.514
local terms energy: -441.080969
where:
bonds (distance) C4'-P energy: -85.041
bonds (distance) P-C4' energy: -87.224
flat angles C4'-P-C4' energy: -95.049
flat angles P-C4'-P energy: -69.419
tors. eta vs tors. theta energy: -104.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1495.144797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.144797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.144797 (E_RNA)
where:
Base-Base interactions energy: -1012.447
where: short stacking energy: -449.962
Base-Backbone interact. energy: -1.705
local terms energy: -480.992528
where:
bonds (distance) C4'-P energy: -77.978
bonds (distance) P-C4' energy: -93.664
flat angles C4'-P-C4' energy: -115.769
flat angles P-C4'-P energy: -75.724
tors. eta vs tors. theta energy: -117.857
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: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1353.956069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.956069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.956069 (E_RNA)
where:
Base-Base interactions energy: -920.127
where: short stacking energy: -382.018
Base-Backbone interact. energy: -1.976
local terms energy: -431.852375
where:
bonds (distance) C4'-P energy: -89.934
bonds (distance) P-C4' energy: -91.387
flat angles C4'-P-C4' energy: -94.165
flat angles P-C4'-P energy: -67.349
tors. eta vs tors. theta energy: -89.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1052.073192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.073192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.073192 (E_RNA)
where:
Base-Base interactions energy: -679.337
where: short stacking energy: -326.801
Base-Backbone interact. energy: 3.071
local terms energy: -375.807471
where:
bonds (distance) C4'-P energy: -85.126
bonds (distance) P-C4' energy: -84.285
flat angles C4'-P-C4' energy: -93.314
flat angles P-C4'-P energy: -46.871
tors. eta vs tors. theta energy: -66.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -691.323603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.323603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.323603 (E_RNA)
where:
Base-Base interactions energy: -366.171
where: short stacking energy: -205.738
Base-Backbone interact. energy: 0.313
local terms energy: -325.466209
where:
bonds (distance) C4'-P energy: -88.611
bonds (distance) P-C4' energy: -90.608
flat angles C4'-P-C4' energy: -78.893
flat angles P-C4'-P energy: -53.687
tors. eta vs tors. theta energy: -13.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -626.798279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.798279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.798279 (E_RNA)
where:
Base-Base interactions energy: -316.992
where: short stacking energy: -152.863
Base-Backbone interact. energy: -1.734
local terms energy: -308.071454
where:
bonds (distance) C4'-P energy: -80.778
bonds (distance) P-C4' energy: -90.236
flat angles C4'-P-C4' energy: -82.229
flat angles P-C4'-P energy: -46.670
tors. eta vs tors. theta energy: -8.159
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: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1875.390806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.390806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.390806 (E_RNA)
where:
Base-Base interactions energy: -1313.286
where: short stacking energy: -525.700
Base-Backbone interact. energy: -3.691
local terms energy: -558.413882
where:
bonds (distance) C4'-P energy: -103.172
bonds (distance) P-C4' energy: -104.783
flat angles C4'-P-C4' energy: -119.541
flat angles P-C4'-P energy: -80.646
tors. eta vs tors. theta energy: -150.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1800.330836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.330836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.330836 (E_RNA)
where:
Base-Base interactions energy: -1276.083
where: short stacking energy: -523.796
Base-Backbone interact. energy: -0.812
local terms energy: -523.435919
where:
bonds (distance) C4'-P energy: -100.062
bonds (distance) P-C4' energy: -85.593
flat angles C4'-P-C4' energy: -107.176
flat angles P-C4'-P energy: -86.025
tors. eta vs tors. theta energy: -144.579
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: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1717.145413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.145413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.145413 (E_RNA)
where:
Base-Base interactions energy: -1201.168
where: short stacking energy: -490.095
Base-Backbone interact. energy: -1.616
local terms energy: -514.360598
where:
bonds (distance) C4'-P energy: -94.012
bonds (distance) P-C4' energy: -96.752
flat angles C4'-P-C4' energy: -118.819
flat angles P-C4'-P energy: -70.050
tors. eta vs tors. theta energy: -134.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1599.536129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.536129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.536129 (E_RNA)
where:
Base-Base interactions energy: -1109.782
where: short stacking energy: -456.361
Base-Backbone interact. energy: -0.513
local terms energy: -489.241910
where:
bonds (distance) C4'-P energy: -105.632
bonds (distance) P-C4' energy: -92.710
flat angles C4'-P-C4' energy: -107.246
flat angles P-C4'-P energy: -68.070
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: 5, replica: 3
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1489.052395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.052395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.052395 (E_RNA)
where:
Base-Base interactions energy: -1027.853
where: short stacking energy: -428.489
Base-Backbone interact. energy: 2.366
local terms energy: -463.565787
where:
bonds (distance) C4'-P energy: -77.384
bonds (distance) P-C4' energy: -102.402
flat angles C4'-P-C4' energy: -109.125
flat angles P-C4'-P energy: -70.599
tors. eta vs tors. theta energy: -104.055
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: 6, replica: 8
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1405.716353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.716353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.716353 (E_RNA)
where:
Base-Base interactions energy: -959.340
where: short stacking energy: -415.703
Base-Backbone interact. energy: -1.762
local terms energy: -444.614123
where:
bonds (distance) C4'-P energy: -83.815
bonds (distance) P-C4' energy: -103.762
flat angles C4'-P-C4' energy: -96.335
flat angles P-C4'-P energy: -62.901
tors. eta vs tors. theta energy: -97.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1341.681727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.681727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.681727 (E_RNA)
where:
Base-Base interactions energy: -892.861
where: short stacking energy: -403.435
Base-Backbone interact. energy: -2.945
local terms energy: -445.875724
where:
bonds (distance) C4'-P energy: -68.201
bonds (distance) P-C4' energy: -99.757
flat angles C4'-P-C4' energy: -109.903
flat angles P-C4'-P energy: -75.247
tors. eta vs tors. theta energy: -92.769
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: 8, replica: 7
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1011.681303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.681303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.681303 (E_RNA)
where:
Base-Base interactions energy: -631.530
where: short stacking energy: -277.341
Base-Backbone interact. energy: -0.796
local terms energy: -379.355247
where:
bonds (distance) C4'-P energy: -98.632
bonds (distance) P-C4' energy: -95.631
flat angles C4'-P-C4' energy: -93.826
flat angles P-C4'-P energy: -51.983
tors. eta vs tors. theta energy: -39.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -688.058067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.058067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.058067 (E_RNA)
where:
Base-Base interactions energy: -377.138
where: short stacking energy: -189.717
Base-Backbone interact. energy: -0.591
local terms energy: -310.328880
where:
bonds (distance) C4'-P energy: -98.688
bonds (distance) P-C4' energy: -85.411
flat angles C4'-P-C4' energy: -86.947
flat angles P-C4'-P energy: -40.702
tors. eta vs tors. theta energy: 1.419
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: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -602.730287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.730287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.730287 (E_RNA)
where:
Base-Base interactions energy: -310.465
where: short stacking energy: -165.239
Base-Backbone interact. energy: 2.781
local terms energy: -295.046501
where:
bonds (distance) C4'-P energy: -86.147
bonds (distance) P-C4' energy: -88.289
flat angles C4'-P-C4' energy: -73.806
flat angles P-C4'-P energy: -44.430
tors. eta vs tors. theta energy: -2.375
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: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1876.406786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.406786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.406786 (E_RNA)
where:
Base-Base interactions energy: -1322.563
where: short stacking energy: -541.710
Base-Backbone interact. energy: -4.391
local terms energy: -549.452902
where:
bonds (distance) C4'-P energy: -104.025
bonds (distance) P-C4' energy: -108.432
flat angles C4'-P-C4' energy: -115.899
flat angles P-C4'-P energy: -74.335
tors. eta vs tors. theta energy: -146.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1765.756072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.756072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.756072 (E_RNA)
where:
Base-Base interactions energy: -1234.833
where: short stacking energy: -507.966
Base-Backbone interact. energy: -1.438
local terms energy: -529.485587
where:
bonds (distance) C4'-P energy: -85.725
bonds (distance) P-C4' energy: -104.858
flat angles C4'-P-C4' energy: -120.160
flat angles P-C4'-P energy: -81.272
tors. eta vs tors. theta energy: -137.470
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: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1685.208069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.208069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.208069 (E_RNA)
where:
Base-Base interactions energy: -1161.105
where: short stacking energy: -505.946
Base-Backbone interact. energy: -3.428
local terms energy: -520.675059
where:
bonds (distance) C4'-P energy: -94.481
bonds (distance) P-C4' energy: -80.855
flat angles C4'-P-C4' energy: -118.695
flat angles P-C4'-P energy: -78.266
tors. eta vs tors. theta energy: -148.378
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: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1565.123476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.123476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.123476 (E_RNA)
where:
Base-Base interactions energy: -1062.136
where: short stacking energy: -429.312
Base-Backbone interact. energy: 0.756
local terms energy: -503.743756
where:
bonds (distance) C4'-P energy: -103.046
bonds (distance) P-C4' energy: -103.629
flat angles C4'-P-C4' energy: -115.272
flat angles P-C4'-P energy: -75.345
tors. eta vs tors. theta energy: -106.453
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: 5, replica: 3
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1507.369487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.369487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.369487 (E_RNA)
where:
Base-Base interactions energy: -1024.954
where: short stacking energy: -442.780
Base-Backbone interact. energy: -1.752
local terms energy: -480.663472
where:
bonds (distance) C4'-P energy: -100.998
bonds (distance) P-C4' energy: -87.325
flat angles C4'-P-C4' energy: -105.823
flat angles P-C4'-P energy: -69.474
tors. eta vs tors. theta energy: -117.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1399.708555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.708555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.708555 (E_RNA)
where:
Base-Base interactions energy: -957.812
where: short stacking energy: -415.510
Base-Backbone interact. energy: -1.309
local terms energy: -440.587041
where:
bonds (distance) C4'-P energy: -85.199
bonds (distance) P-C4' energy: -90.128
flat angles C4'-P-C4' energy: -105.987
flat angles P-C4'-P energy: -65.085
tors. eta vs tors. theta energy: -94.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1317.162258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.162258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.162258 (E_RNA)
where:
Base-Base interactions energy: -873.513
where: short stacking energy: -379.558
Base-Backbone interact. energy: 1.102
local terms energy: -444.750895
where:
bonds (distance) C4'-P energy: -82.724
bonds (distance) P-C4' energy: -100.558
flat angles C4'-P-C4' energy: -103.058
flat angles P-C4'-P energy: -75.949
tors. eta vs tors. theta energy: -82.462
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: 205
Temperature: 1.250000
Total energy: -1040.856065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.856065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.856065 (E_RNA)
where:
Base-Base interactions energy: -657.038
where: short stacking energy: -317.013
Base-Backbone interact. energy: 0.566
local terms energy: -384.384172
where:
bonds (distance) C4'-P energy: -78.811
bonds (distance) P-C4' energy: -91.457
flat angles C4'-P-C4' energy: -93.779
flat angles P-C4'-P energy: -52.791
tors. eta vs tors. theta energy: -67.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -695.892005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.892005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.892005 (E_RNA)
where:
Base-Base interactions energy: -355.132
where: short stacking energy: -202.282
Base-Backbone interact. energy: -2.047
local terms energy: -338.712960
where:
bonds (distance) C4'-P energy: -82.018
bonds (distance) P-C4' energy: -92.288
flat angles C4'-P-C4' energy: -81.395
flat angles P-C4'-P energy: -48.378
tors. eta vs tors. theta energy: -34.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -623.259157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.259157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.259157 (E_RNA)
where:
Base-Base interactions energy: -328.240
where: short stacking energy: -175.719
Base-Backbone interact. energy: 2.188
local terms energy: -297.206628
where:
bonds (distance) C4'-P energy: -74.714
bonds (distance) P-C4' energy: -84.827
flat angles C4'-P-C4' energy: -77.667
flat angles P-C4'-P energy: -54.570
tors. eta vs tors. theta energy: -5.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1852.508478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.508478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.508478 (E_RNA)
where:
Base-Base interactions energy: -1293.770
where: short stacking energy: -530.278
Base-Backbone interact. energy: -1.450
local terms energy: -557.288944
where:
bonds (distance) C4'-P energy: -94.118
bonds (distance) P-C4' energy: -101.179
flat angles C4'-P-C4' energy: -130.557
flat angles P-C4'-P energy: -87.506
tors. eta vs tors. theta energy: -143.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1806.951018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.951018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.951018 (E_RNA)
where:
Base-Base interactions energy: -1288.693
where: short stacking energy: -527.360
Base-Backbone interact. energy: -6.180
local terms energy: -512.077870
where:
bonds (distance) C4'-P energy: -93.266
bonds (distance) P-C4' energy: -105.134
flat angles C4'-P-C4' energy: -119.201
flat angles P-C4'-P energy: -64.531
tors. eta vs tors. theta energy: -129.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1709.541435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.541435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.541435 (E_RNA)
where:
Base-Base interactions energy: -1167.796
where: short stacking energy: -538.035
Base-Backbone interact. energy: 0.459
local terms energy: -542.203667
where:
bonds (distance) C4'-P energy: -113.935
bonds (distance) P-C4' energy: -95.371
flat angles C4'-P-C4' energy: -111.225
flat angles P-C4'-P energy: -70.345
tors. eta vs tors. theta energy: -151.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1575.646339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.646339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.646339 (E_RNA)
where:
Base-Base interactions energy: -1048.804
where: short stacking energy: -425.783
Base-Backbone interact. energy: -0.603
local terms energy: -526.239339
where:
bonds (distance) C4'-P energy: -94.497
bonds (distance) P-C4' energy: -113.520
flat angles C4'-P-C4' energy: -105.984
flat angles P-C4'-P energy: -93.077
tors. eta vs tors. theta energy: -119.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1501.253745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.253745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.253745 (E_RNA)
where:
Base-Base interactions energy: -1036.466
where: short stacking energy: -450.419
Base-Backbone interact. energy: 2.823
local terms energy: -467.610502
where:
bonds (distance) C4'-P energy: -90.667
bonds (distance) P-C4' energy: -94.558
flat angles C4'-P-C4' energy: -107.115
flat angles P-C4'-P energy: -66.390
tors. eta vs tors. theta energy: -108.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1414.447046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.447046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.447046 (E_RNA)
where:
Base-Base interactions energy: -983.943
where: short stacking energy: -399.755
Base-Backbone interact. energy: -1.995
local terms energy: -428.508779
where:
bonds (distance) C4'-P energy: -80.481
bonds (distance) P-C4' energy: -85.721
flat angles C4'-P-C4' energy: -97.408
flat angles P-C4'-P energy: -66.510
tors. eta vs tors. theta energy: -98.388
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: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1270.382076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.382076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.382076 (E_RNA)
where:
Base-Base interactions energy: -887.338
where: short stacking energy: -382.438
Base-Backbone interact. energy: -2.658
local terms energy: -380.385756
where:
bonds (distance) C4'-P energy: -71.398
bonds (distance) P-C4' energy: -88.516
flat angles C4'-P-C4' energy: -93.674
flat angles P-C4'-P energy: -53.690
tors. eta vs tors. theta energy: -73.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1004.710498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.710498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.710498 (E_RNA)
where:
Base-Base interactions energy: -623.887
where: short stacking energy: -296.833
Base-Backbone interact. energy: 1.501
local terms energy: -382.324913
where:
bonds (distance) C4'-P energy: -68.136
bonds (distance) P-C4' energy: -101.513
flat angles C4'-P-C4' energy: -91.742
flat angles P-C4'-P energy: -55.187
tors. eta vs tors. theta energy: -65.748
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: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -698.837173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.837173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.837173 (E_RNA)
where:
Base-Base interactions energy: -396.816
where: short stacking energy: -207.609
Base-Backbone interact. energy: -0.581
local terms energy: -301.439980
where:
bonds (distance) C4'-P energy: -78.499
bonds (distance) P-C4' energy: -95.023
flat angles C4'-P-C4' energy: -66.125
flat angles P-C4'-P energy: -57.676
tors. eta vs tors. theta energy: -4.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -607.148364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.148364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.148364 (E_RNA)
where:
Base-Base interactions energy: -349.018
where: short stacking energy: -177.596
Base-Backbone interact. energy: 0.145
local terms energy: -258.275408
where:
bonds (distance) C4'-P energy: -84.628
bonds (distance) P-C4' energy: -77.544
flat angles C4'-P-C4' energy: -60.780
flat angles P-C4'-P energy: -43.386
tors. eta vs tors. theta energy: 8.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1880.885453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.885453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.885453 (E_RNA)
where:
Base-Base interactions energy: -1302.624
where: short stacking energy: -543.024
Base-Backbone interact. energy: -3.342
local terms energy: -574.919816
where:
bonds (distance) C4'-P energy: -102.526
bonds (distance) P-C4' energy: -110.855
flat angles C4'-P-C4' energy: -124.574
flat angles P-C4'-P energy: -87.136
tors. eta vs tors. theta energy: -149.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1840.376881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.376881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.376881 (E_RNA)
where:
Base-Base interactions energy: -1264.815
where: short stacking energy: -522.300
Base-Backbone interact. energy: -1.742
local terms energy: -573.819592
where:
bonds (distance) C4'-P energy: -108.183
bonds (distance) P-C4' energy: -115.954
flat angles C4'-P-C4' energy: -121.325
flat angles P-C4'-P energy: -78.894
tors. eta vs tors. theta energy: -149.464
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: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1672.202159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.202159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.202159 (E_RNA)
where:
Base-Base interactions energy: -1147.915
where: short stacking energy: -513.962
Base-Backbone interact. energy: -2.649
local terms energy: -521.638033
where:
bonds (distance) C4'-P energy: -87.153
bonds (distance) P-C4' energy: -96.705
flat angles C4'-P-C4' energy: -115.494
flat angles P-C4'-P energy: -77.033
tors. eta vs tors. theta energy: -145.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1584.846231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.846231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.846231 (E_RNA)
where:
Base-Base interactions energy: -1104.248
where: short stacking energy: -447.700
Base-Backbone interact. energy: -2.465
local terms energy: -478.133549
where:
bonds (distance) C4'-P energy: -100.426
bonds (distance) P-C4' energy: -92.192
flat angles C4'-P-C4' energy: -101.923
flat angles P-C4'-P energy: -70.445
tors. eta vs tors. theta energy: -113.147
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: 207
Temperature: 1.100000
Total energy: -1494.962404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.962404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.962404 (E_RNA)
where:
Base-Base interactions energy: -1011.379
where: short stacking energy: -414.378
Base-Backbone interact. energy: -1.203
local terms energy: -482.380653
where:
bonds (distance) C4'-P energy: -100.783
bonds (distance) P-C4' energy: -96.090
flat angles C4'-P-C4' energy: -105.040
flat angles P-C4'-P energy: -73.309
tors. eta vs tors. theta energy: -107.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1449.834690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.834690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.834690 (E_RNA)
where:
Base-Base interactions energy: -986.738
where: short stacking energy: -413.084
Base-Backbone interact. energy: -4.318
local terms energy: -458.778163
where:
bonds (distance) C4'-P energy: -108.865
bonds (distance) P-C4' energy: -88.769
flat angles C4'-P-C4' energy: -101.168
flat angles P-C4'-P energy: -52.780
tors. eta vs tors. theta energy: -107.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1251.083272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.083272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.083272 (E_RNA)
where:
Base-Base interactions energy: -823.379
where: short stacking energy: -341.139
Base-Backbone interact. energy: -3.780
local terms energy: -423.923980
where:
bonds (distance) C4'-P energy: -97.154
bonds (distance) P-C4' energy: -97.954
flat angles C4'-P-C4' energy: -94.659
flat angles P-C4'-P energy: -66.958
tors. eta vs tors. theta energy: -67.198
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: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -951.628838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.628838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.628838 (E_RNA)
where:
Base-Base interactions energy: -584.246
where: short stacking energy: -253.659
Base-Backbone interact. energy: 1.212
local terms energy: -368.594696
where:
bonds (distance) C4'-P energy: -81.178
bonds (distance) P-C4' energy: -102.092
flat angles C4'-P-C4' energy: -91.233
flat angles P-C4'-P energy: -44.986
tors. eta vs tors. theta energy: -49.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -693.462041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.462041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.462041 (E_RNA)
where:
Base-Base interactions energy: -390.831
where: short stacking energy: -214.744
Base-Backbone interact. energy: 0.989
local terms energy: -303.619837
where:
bonds (distance) C4'-P energy: -77.063
bonds (distance) P-C4' energy: -101.346
flat angles C4'-P-C4' energy: -62.598
flat angles P-C4'-P energy: -50.713
tors. eta vs tors. theta energy: -11.900
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: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -588.976626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.976626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.976626 (E_RNA)
where:
Base-Base interactions energy: -280.695
where: short stacking energy: -178.847
Base-Backbone interact. energy: -1.680
local terms energy: -306.600857
where:
bonds (distance) C4'-P energy: -79.673
bonds (distance) P-C4' energy: -98.404
flat angles C4'-P-C4' energy: -78.199
flat angles P-C4'-P energy: -40.414
tors. eta vs tors. theta energy: -9.911
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: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1904.980862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.980862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.980862 (E_RNA)
where:
Base-Base interactions energy: -1356.361
where: short stacking energy: -526.146
Base-Backbone interact. energy: 0.526
local terms energy: -549.145412
where:
bonds (distance) C4'-P energy: -97.768
bonds (distance) P-C4' energy: -99.433
flat angles C4'-P-C4' energy: -119.113
flat angles P-C4'-P energy: -92.898
tors. eta vs tors. theta energy: -139.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1807.556374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.556374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.556374 (E_RNA)
where:
Base-Base interactions energy: -1277.542
where: short stacking energy: -520.745
Base-Backbone interact. energy: 2.595
local terms energy: -532.608741
where:
bonds (distance) C4'-P energy: -104.006
bonds (distance) P-C4' energy: -97.837
flat angles C4'-P-C4' energy: -111.243
flat angles P-C4'-P energy: -79.332
tors. eta vs tors. theta energy: -140.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1706.943675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.943675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.943675 (E_RNA)
where:
Base-Base interactions energy: -1176.348
where: short stacking energy: -531.435
Base-Backbone interact. energy: -2.894
local terms energy: -527.701603
where:
bonds (distance) C4'-P energy: -88.796
bonds (distance) P-C4' energy: -95.777
flat angles C4'-P-C4' energy: -122.935
flat angles P-C4'-P energy: -70.803
tors. eta vs tors. theta energy: -149.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1537.435306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.435306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.435306 (E_RNA)
where:
Base-Base interactions energy: -1074.313
where: short stacking energy: -460.035
Base-Backbone interact. energy: -2.822
local terms energy: -460.300247
where:
bonds (distance) C4'-P energy: -88.917
bonds (distance) P-C4' energy: -98.053
flat angles C4'-P-C4' energy: -109.246
flat angles P-C4'-P energy: -63.755
tors. eta vs tors. theta energy: -100.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1564.616829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.616829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.616829 (E_RNA)
where:
Base-Base interactions energy: -1066.289
where: short stacking energy: -470.035
Base-Backbone interact. energy: -6.162
local terms energy: -492.166164
where:
bonds (distance) C4'-P energy: -96.110
bonds (distance) P-C4' energy: -93.991
flat angles C4'-P-C4' energy: -118.119
flat angles P-C4'-P energy: -60.264
tors. eta vs tors. theta energy: -123.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1431.363404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.363404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.363404 (E_RNA)
where:
Base-Base interactions energy: -1011.460
where: short stacking energy: -425.021
Base-Backbone interact. energy: -4.826
local terms energy: -415.077526
where:
bonds (distance) C4'-P energy: -83.759
bonds (distance) P-C4' energy: -85.308
flat angles C4'-P-C4' energy: -92.138
flat angles P-C4'-P energy: -50.414
tors. eta vs tors. theta energy: -103.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1320.490357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.490357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.490357 (E_RNA)
where:
Base-Base interactions energy: -878.593
where: short stacking energy: -400.330
Base-Backbone interact. energy: -1.170
local terms energy: -440.727668
where:
bonds (distance) C4'-P energy: -87.015
bonds (distance) P-C4' energy: -104.838
flat angles C4'-P-C4' energy: -91.323
flat angles P-C4'-P energy: -56.148
tors. eta vs tors. theta energy: -101.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -915.727502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.727502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.727502 (E_RNA)
where:
Base-Base interactions energy: -578.505
where: short stacking energy: -266.861
Base-Backbone interact. energy: -2.288
local terms energy: -334.935097
where:
bonds (distance) C4'-P energy: -81.914
bonds (distance) P-C4' energy: -92.781
flat angles C4'-P-C4' energy: -72.823
flat angles P-C4'-P energy: -43.697
tors. eta vs tors. theta energy: -43.720
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: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -769.474277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.474277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.474277 (E_RNA)
where:
Base-Base interactions energy: -405.897
where: short stacking energy: -205.987
Base-Backbone interact. energy: -2.155
local terms energy: -361.422237
where:
bonds (distance) C4'-P energy: -81.311
bonds (distance) P-C4' energy: -99.550
flat angles C4'-P-C4' energy: -99.889
flat angles P-C4'-P energy: -54.267
tors. eta vs tors. theta energy: -26.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -593.146277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.146277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.146277 (E_RNA)
where:
Base-Base interactions energy: -325.728
where: short stacking energy: -170.744
Base-Backbone interact. energy: -1.765
local terms energy: -265.653279
where:
bonds (distance) C4'-P energy: -87.457
bonds (distance) P-C4' energy: -88.493
flat angles C4'-P-C4' energy: -54.500
flat angles P-C4'-P energy: -48.622
tors. eta vs tors. theta energy: 13.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1893.480661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.480661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.480661 (E_RNA)
where:
Base-Base interactions energy: -1339.544
where: short stacking energy: -545.705
Base-Backbone interact. energy: -1.007
local terms energy: -552.929245
where:
bonds (distance) C4'-P energy: -105.329
bonds (distance) P-C4' energy: -101.073
flat angles C4'-P-C4' energy: -116.435
flat angles P-C4'-P energy: -83.630
tors. eta vs tors. theta energy: -146.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1814.246291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.246291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.246291 (E_RNA)
where:
Base-Base interactions energy: -1289.333
where: short stacking energy: -545.258
Base-Backbone interact. energy: 3.563
local terms energy: -528.476523
where:
bonds (distance) C4'-P energy: -75.974
bonds (distance) P-C4' energy: -109.731
flat angles C4'-P-C4' energy: -117.540
flat angles P-C4'-P energy: -78.049
tors. eta vs tors. theta energy: -147.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1718.806090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.806090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.806090 (E_RNA)
where:
Base-Base interactions energy: -1183.631
where: short stacking energy: -528.282
Base-Backbone interact. energy: -0.087
local terms energy: -535.088334
where:
bonds (distance) C4'-P energy: -103.223
bonds (distance) P-C4' energy: -99.434
flat angles C4'-P-C4' energy: -116.640
flat angles P-C4'-P energy: -68.202
tors. eta vs tors. theta energy: -147.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1562.740701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.740701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.740701 (E_RNA)
where:
Base-Base interactions energy: -1064.292
where: short stacking energy: -466.002
Base-Backbone interact. energy: -4.523
local terms energy: -493.926035
where:
bonds (distance) C4'-P energy: -87.612
bonds (distance) P-C4' energy: -93.432
flat angles C4'-P-C4' energy: -109.513
flat angles P-C4'-P energy: -71.058
tors. eta vs tors. theta energy: -132.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1577.466022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.466022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.466022 (E_RNA)
where:
Base-Base interactions energy: -1106.972
where: short stacking energy: -445.968
Base-Backbone interact. energy: -1.438
local terms energy: -469.055641
where:
bonds (distance) C4'-P energy: -80.192
bonds (distance) P-C4' energy: -97.684
flat angles C4'-P-C4' energy: -114.779
flat angles P-C4'-P energy: -61.291
tors. eta vs tors. theta energy: -115.110
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: 6, replica: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1425.185474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.185474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.185474 (E_RNA)
where:
Base-Base interactions energy: -961.079
where: short stacking energy: -400.970
Base-Backbone interact. energy: -1.178
local terms energy: -462.928440
where:
bonds (distance) C4'-P energy: -87.361
bonds (distance) P-C4' energy: -95.696
flat angles C4'-P-C4' energy: -100.309
flat angles P-C4'-P energy: -75.475
tors. eta vs tors. theta energy: -104.088
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: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1291.108518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.108518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.108518 (E_RNA)
where:
Base-Base interactions energy: -872.460
where: short stacking energy: -380.927
Base-Backbone interact. energy: -1.795
local terms energy: -416.852892
where:
bonds (distance) C4'-P energy: -91.351
bonds (distance) P-C4' energy: -79.556
flat angles C4'-P-C4' energy: -79.903
flat angles P-C4'-P energy: -64.977
tors. eta vs tors. theta energy: -101.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -952.519213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.519213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.519213 (E_RNA)
where:
Base-Base interactions energy: -587.563
where: short stacking energy: -294.926
Base-Backbone interact. energy: -0.893
local terms energy: -364.063176
where:
bonds (distance) C4'-P energy: -94.735
bonds (distance) P-C4' energy: -80.331
flat angles C4'-P-C4' energy: -86.286
flat angles P-C4'-P energy: -52.387
tors. eta vs tors. theta energy: -50.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -752.780143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.780143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.780143 (E_RNA)
where:
Base-Base interactions energy: -443.689
where: short stacking energy: -218.167
Base-Backbone interact. energy: 0.213
local terms energy: -309.304060
where:
bonds (distance) C4'-P energy: -79.679
bonds (distance) P-C4' energy: -76.622
flat angles C4'-P-C4' energy: -85.673
flat angles P-C4'-P energy: -44.289
tors. eta vs tors. theta energy: -23.041
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: 209
Temperature: 1.350000
Total energy: -550.546557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.546557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.546557 (E_RNA)
where:
Base-Base interactions energy: -252.642
where: short stacking energy: -134.434
Base-Backbone interact. energy: -0.921
local terms energy: -296.984141
where:
bonds (distance) C4'-P energy: -92.798
bonds (distance) P-C4' energy: -73.999
flat angles C4'-P-C4' energy: -78.569
flat angles P-C4'-P energy: -55.436
tors. eta vs tors. theta energy: 3.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1868.986529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.986529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.986529 (E_RNA)
where:
Base-Base interactions energy: -1325.097
where: short stacking energy: -533.317
Base-Backbone interact. energy: -4.036
local terms energy: -539.853176
where:
bonds (distance) C4'-P energy: -93.448
bonds (distance) P-C4' energy: -112.540
flat angles C4'-P-C4' energy: -116.687
flat angles P-C4'-P energy: -77.700
tors. eta vs tors. theta energy: -139.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1833.567547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.567547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.567547 (E_RNA)
where:
Base-Base interactions energy: -1292.033
where: short stacking energy: -541.361
Base-Backbone interact. energy: -0.420
local terms energy: -541.114587
where:
bonds (distance) C4'-P energy: -105.308
bonds (distance) P-C4' energy: -90.748
flat angles C4'-P-C4' energy: -112.675
flat angles P-C4'-P energy: -86.367
tors. eta vs tors. theta energy: -146.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1718.335498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.335498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.335498 (E_RNA)
where:
Base-Base interactions energy: -1194.248
where: short stacking energy: -523.346
Base-Backbone interact. energy: 1.195
local terms energy: -525.283091
where:
bonds (distance) C4'-P energy: -86.940
bonds (distance) P-C4' energy: -102.003
flat angles C4'-P-C4' energy: -114.810
flat angles P-C4'-P energy: -85.537
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: 4, replica: 3
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1595.176161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.176161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.176161 (E_RNA)
where:
Base-Base interactions energy: -1090.571
where: short stacking energy: -487.016
Base-Backbone interact. energy: -1.594
local terms energy: -503.010487
where:
bonds (distance) C4'-P energy: -93.479
bonds (distance) P-C4' energy: -90.004
flat angles C4'-P-C4' energy: -104.271
flat angles P-C4'-P energy: -77.967
tors. eta vs tors. theta energy: -137.290
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: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1530.757744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.757744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.757744 (E_RNA)
where:
Base-Base interactions energy: -1066.360
where: short stacking energy: -452.988
Base-Backbone interact. energy: -1.949
local terms energy: -462.448199
where:
bonds (distance) C4'-P energy: -81.980
bonds (distance) P-C4' energy: -105.444
flat angles C4'-P-C4' energy: -99.824
flat angles P-C4'-P energy: -62.045
tors. eta vs tors. theta energy: -113.155
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: 8
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1423.112964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.112964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.112964 (E_RNA)
where:
Base-Base interactions energy: -974.826
where: short stacking energy: -407.244
Base-Backbone interact. energy: -2.115
local terms energy: -446.172338
where:
bonds (distance) C4'-P energy: -90.543
bonds (distance) P-C4' energy: -92.692
flat angles C4'-P-C4' energy: -106.987
flat angles P-C4'-P energy: -56.076
tors. eta vs tors. theta energy: -99.874
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: 6
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1281.616369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.616369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.616369 (E_RNA)
where:
Base-Base interactions energy: -861.876
where: short stacking energy: -369.525
Base-Backbone interact. energy: 1.362
local terms energy: -421.101501
where:
bonds (distance) C4'-P energy: -88.292
bonds (distance) P-C4' energy: -78.787
flat angles C4'-P-C4' energy: -103.410
flat angles P-C4'-P energy: -55.860
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: 8, replica: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -974.926709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.926709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.926709 (E_RNA)
where:
Base-Base interactions energy: -617.030
where: short stacking energy: -290.505
Base-Backbone interact. energy: -0.126
local terms energy: -357.771033
where:
bonds (distance) C4'-P energy: -89.270
bonds (distance) P-C4' energy: -92.479
flat angles C4'-P-C4' energy: -79.652
flat angles P-C4'-P energy: -54.799
tors. eta vs tors. theta energy: -41.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -750.573567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.573567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.573567 (E_RNA)
where:
Base-Base interactions energy: -429.138
where: short stacking energy: -216.423
Base-Backbone interact. energy: -1.374
local terms energy: -320.061453
where:
bonds (distance) C4'-P energy: -83.014
bonds (distance) P-C4' energy: -91.784
flat angles C4'-P-C4' energy: -77.025
flat angles P-C4'-P energy: -41.349
tors. eta vs tors. theta energy: -26.889
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: 10, replica: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -582.461687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.461687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.461687 (E_RNA)
where:
Base-Base interactions energy: -309.350
where: short stacking energy: -176.871
Base-Backbone interact. energy: 0.648
local terms energy: -273.759643
where:
bonds (distance) C4'-P energy: -74.242
bonds (distance) P-C4' energy: -79.034
flat angles C4'-P-C4' energy: -66.537
flat angles P-C4'-P energy: -53.388
tors. eta vs tors. theta energy: -0.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1858.147871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.147871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.147871 (E_RNA)
where:
Base-Base interactions energy: -1307.635
where: short stacking energy: -510.033
Base-Backbone interact. energy: -4.636
local terms energy: -545.877225
where:
bonds (distance) C4'-P energy: -98.752
bonds (distance) P-C4' energy: -111.479
flat angles C4'-P-C4' energy: -121.356
flat angles P-C4'-P energy: -78.602
tors. eta vs tors. theta energy: -135.688
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: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1777.175026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.175026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.175026 (E_RNA)
where:
Base-Base interactions energy: -1250.621
where: short stacking energy: -520.656
Base-Backbone interact. energy: 2.047
local terms energy: -528.600528
where:
bonds (distance) C4'-P energy: -88.036
bonds (distance) P-C4' energy: -105.741
flat angles C4'-P-C4' energy: -114.048
flat angles P-C4'-P energy: -82.235
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: 3, replica: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1674.722902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.722902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.722902 (E_RNA)
where:
Base-Base interactions energy: -1149.845
where: short stacking energy: -473.080
Base-Backbone interact. energy: -2.133
local terms energy: -522.744985
where:
bonds (distance) C4'-P energy: -102.282
bonds (distance) P-C4' energy: -105.450
flat angles C4'-P-C4' energy: -110.698
flat angles P-C4'-P energy: -73.858
tors. eta vs tors. theta energy: -130.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1614.524077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.524077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.524077 (E_RNA)
where:
Base-Base interactions energy: -1105.044
where: short stacking energy: -475.884
Base-Backbone interact. energy: -1.980
local terms energy: -507.500880
where:
bonds (distance) C4'-P energy: -100.291
bonds (distance) P-C4' energy: -111.646
flat angles C4'-P-C4' energy: -109.489
flat angles P-C4'-P energy: -51.664
tors. eta vs tors. theta energy: -134.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1562.857575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.857575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.857575 (E_RNA)
where:
Base-Base interactions energy: -1083.386
where: short stacking energy: -448.369
Base-Backbone interact. energy: 0.084
local terms energy: -479.555619
where:
bonds (distance) C4'-P energy: -85.837
bonds (distance) P-C4' energy: -105.046
flat angles C4'-P-C4' energy: -110.164
flat angles P-C4'-P energy: -68.936
tors. eta vs tors. theta energy: -109.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1425.049325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.049325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.049325 (E_RNA)
where:
Base-Base interactions energy: -981.363
where: short stacking energy: -419.067
Base-Backbone interact. energy: 1.476
local terms energy: -445.162587
where:
bonds (distance) C4'-P energy: -83.301
bonds (distance) P-C4' energy: -103.181
flat angles C4'-P-C4' energy: -93.563
flat angles P-C4'-P energy: -63.519
tors. eta vs tors. theta energy: -101.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1277.502004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.502004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.502004 (E_RNA)
where:
Base-Base interactions energy: -856.229
where: short stacking energy: -369.428
Base-Backbone interact. energy: 0.301
local terms energy: -421.574303
where:
bonds (distance) C4'-P energy: -97.405
bonds (distance) P-C4' energy: -88.512
flat angles C4'-P-C4' energy: -83.136
flat angles P-C4'-P energy: -65.661
tors. eta vs tors. theta energy: -86.860
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: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -968.292129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.292129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.292129 (E_RNA)
where:
Base-Base interactions energy: -609.194
where: short stacking energy: -269.130
Base-Backbone interact. energy: 0.102
local terms energy: -359.200508
where:
bonds (distance) C4'-P energy: -98.511
bonds (distance) P-C4' energy: -95.015
flat angles C4'-P-C4' energy: -79.807
flat angles P-C4'-P energy: -49.037
tors. eta vs tors. theta energy: -36.831
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: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -674.603276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.603276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.603276 (E_RNA)
where:
Base-Base interactions energy: -415.550
where: short stacking energy: -183.826
Base-Backbone interact. energy: 1.299
local terms energy: -260.352656
where:
bonds (distance) C4'-P energy: -85.914
bonds (distance) P-C4' energy: -69.114
flat angles C4'-P-C4' energy: -60.368
flat angles P-C4'-P energy: -43.866
tors. eta vs tors. theta energy: -1.090
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: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -571.513814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.513814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.513814 (E_RNA)
where:
Base-Base interactions energy: -311.845
where: short stacking energy: -160.021
Base-Backbone interact. energy: -2.110
local terms energy: -257.559187
where:
bonds (distance) C4'-P energy: -72.444
bonds (distance) P-C4' energy: -72.186
flat angles C4'-P-C4' energy: -70.567
flat angles P-C4'-P energy: -48.840
tors. eta vs tors. theta energy: 6.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1871.455559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.455559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.455559 (E_RNA)
where:
Base-Base interactions energy: -1325.652
where: short stacking energy: -523.933
Base-Backbone interact. energy: -5.025
local terms energy: -540.778800
where:
bonds (distance) C4'-P energy: -108.460
bonds (distance) P-C4' energy: -101.167
flat angles C4'-P-C4' energy: -113.373
flat angles P-C4'-P energy: -81.725
tors. eta vs tors. theta energy: -136.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1818.002556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.002556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.002556 (E_RNA)
where:
Base-Base interactions energy: -1279.274
where: short stacking energy: -513.454
Base-Backbone interact. energy: -2.145
local terms energy: -536.583709
where:
bonds (distance) C4'-P energy: -98.115
bonds (distance) P-C4' energy: -106.270
flat angles C4'-P-C4' energy: -117.665
flat angles P-C4'-P energy: -73.519
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: 3, replica: 5
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1718.370694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.370694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.370694 (E_RNA)
where:
Base-Base interactions energy: -1195.604
where: short stacking energy: -538.492
Base-Backbone interact. energy: -0.306
local terms energy: -522.461440
where:
bonds (distance) C4'-P energy: -89.666
bonds (distance) P-C4' energy: -99.929
flat angles C4'-P-C4' energy: -110.926
flat angles P-C4'-P energy: -77.845
tors. eta vs tors. theta energy: -144.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1586.081809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.081809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.081809 (E_RNA)
where:
Base-Base interactions energy: -1093.565
where: short stacking energy: -459.083
Base-Backbone interact. energy: 3.426
local terms energy: -495.942425
where:
bonds (distance) C4'-P energy: -87.537
bonds (distance) P-C4' energy: -100.288
flat angles C4'-P-C4' energy: -111.423
flat angles P-C4'-P energy: -67.157
tors. eta vs tors. theta energy: -129.538
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: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1537.635496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.635496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.635496 (E_RNA)
where:
Base-Base interactions energy: -1053.730
where: short stacking energy: -441.402
Base-Backbone interact. energy: -0.613
local terms energy: -483.292612
where:
bonds (distance) C4'-P energy: -89.931
bonds (distance) P-C4' energy: -101.769
flat angles C4'-P-C4' energy: -104.051
flat angles P-C4'-P energy: -80.368
tors. eta vs tors. theta energy: -107.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1428.661354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.661354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.661354 (E_RNA)
where:
Base-Base interactions energy: -954.854
where: short stacking energy: -388.976
Base-Backbone interact. energy: -0.792
local terms energy: -473.015936
where:
bonds (distance) C4'-P energy: -95.299
bonds (distance) P-C4' energy: -95.957
flat angles C4'-P-C4' energy: -111.936
flat angles P-C4'-P energy: -72.836
tors. eta vs tors. theta energy: -96.987
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: 7, replica: 6
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1291.049687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.049687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.049687 (E_RNA)
where:
Base-Base interactions energy: -848.250
where: short stacking energy: -361.987
Base-Backbone interact. energy: -2.125
local terms energy: -440.674907
where:
bonds (distance) C4'-P energy: -90.902
bonds (distance) P-C4' energy: -94.728
flat angles C4'-P-C4' energy: -101.234
flat angles P-C4'-P energy: -69.299
tors. eta vs tors. theta energy: -84.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -959.214544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.214544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.214544 (E_RNA)
where:
Base-Base interactions energy: -612.765
where: short stacking energy: -272.363
Base-Backbone interact. energy: 0.489
local terms energy: -346.938345
where:
bonds (distance) C4'-P energy: -86.639
bonds (distance) P-C4' energy: -88.582
flat angles C4'-P-C4' energy: -79.144
flat angles P-C4'-P energy: -62.614
tors. eta vs tors. theta energy: -29.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -691.920363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.920363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.920363 (E_RNA)
where:
Base-Base interactions energy: -402.281
where: short stacking energy: -214.076
Base-Backbone interact. energy: -1.374
local terms energy: -288.265130
where:
bonds (distance) C4'-P energy: -68.109
bonds (distance) P-C4' energy: -75.921
flat angles C4'-P-C4' energy: -82.844
flat angles P-C4'-P energy: -50.763
tors. eta vs tors. theta energy: -10.628
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: 212
Temperature: 1.350000
Total energy: -602.030726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.030726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.030726 (E_RNA)
where:
Base-Base interactions energy: -299.308
where: short stacking energy: -165.405
Base-Backbone interact. energy: 3.369
local terms energy: -306.091727
where:
bonds (distance) C4'-P energy: -87.035
bonds (distance) P-C4' energy: -88.746
flat angles C4'-P-C4' energy: -82.464
flat angles P-C4'-P energy: -58.440
tors. eta vs tors. theta energy: 10.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1870.153450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.153450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.153450 (E_RNA)
where:
Base-Base interactions energy: -1325.151
where: short stacking energy: -517.516
Base-Backbone interact. energy: -4.991
local terms energy: -540.010820
where:
bonds (distance) C4'-P energy: -94.271
bonds (distance) P-C4' energy: -104.190
flat angles C4'-P-C4' energy: -118.150
flat angles P-C4'-P energy: -78.436
tors. eta vs tors. theta energy: -144.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1811.362115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.362115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.362115 (E_RNA)
where:
Base-Base interactions energy: -1275.909
where: short stacking energy: -534.995
Base-Backbone interact. energy: -1.346
local terms energy: -534.106331
where:
bonds (distance) C4'-P energy: -92.755
bonds (distance) P-C4' energy: -104.345
flat angles C4'-P-C4' energy: -115.295
flat angles P-C4'-P energy: -76.732
tors. eta vs tors. theta energy: -144.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1689.108136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.108136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.108136 (E_RNA)
where:
Base-Base interactions energy: -1152.794
where: short stacking energy: -474.024
Base-Backbone interact. energy: -1.833
local terms energy: -534.480581
where:
bonds (distance) C4'-P energy: -102.338
bonds (distance) P-C4' energy: -111.945
flat angles C4'-P-C4' energy: -112.892
flat angles P-C4'-P energy: -72.956
tors. eta vs tors. theta energy: -134.350
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: 213
Temperature: 1.050000
Total energy: -1587.219313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.219313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.219313 (E_RNA)
where:
Base-Base interactions energy: -1114.726
where: short stacking energy: -464.758
Base-Backbone interact. energy: -1.696
local terms energy: -470.797392
where:
bonds (distance) C4'-P energy: -83.547
bonds (distance) P-C4' energy: -92.982
flat angles C4'-P-C4' energy: -115.103
flat angles P-C4'-P energy: -66.572
tors. eta vs tors. theta energy: -112.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1548.559890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.559890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.559890 (E_RNA)
where:
Base-Base interactions energy: -1058.225
where: short stacking energy: -440.335
Base-Backbone interact. energy: -5.598
local terms energy: -484.736047
where:
bonds (distance) C4'-P energy: -89.875
bonds (distance) P-C4' energy: -92.993
flat angles C4'-P-C4' energy: -114.894
flat angles P-C4'-P energy: -69.125
tors. eta vs tors. theta energy: -117.849
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: 213
Temperature: 1.150000
Total energy: -1445.445673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.445673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.445673 (E_RNA)
where:
Base-Base interactions energy: -990.444
where: short stacking energy: -418.000
Base-Backbone interact. energy: -1.129
local terms energy: -453.872621
where:
bonds (distance) C4'-P energy: -75.086
bonds (distance) P-C4' energy: -92.668
flat angles C4'-P-C4' energy: -94.179
flat angles P-C4'-P energy: -76.509
tors. eta vs tors. theta energy: -115.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1295.187098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.187098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.187098 (E_RNA)
where:
Base-Base interactions energy: -852.457
where: short stacking energy: -361.712
Base-Backbone interact. energy: -0.839
local terms energy: -441.890736
where:
bonds (distance) C4'-P energy: -88.880
bonds (distance) P-C4' energy: -86.635
flat angles C4'-P-C4' energy: -94.855
flat angles P-C4'-P energy: -77.000
tors. eta vs tors. theta energy: -94.521
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: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1000.186892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.186892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.186892 (E_RNA)
where:
Base-Base interactions energy: -653.772
where: short stacking energy: -294.983
Base-Backbone interact. energy: 4.535
local terms energy: -350.949292
where:
bonds (distance) C4'-P energy: -73.077
bonds (distance) P-C4' energy: -93.412
flat angles C4'-P-C4' energy: -88.491
flat angles P-C4'-P energy: -42.833
tors. eta vs tors. theta energy: -53.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -690.785227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.785227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.785227 (E_RNA)
where:
Base-Base interactions energy: -396.350
where: short stacking energy: -219.778
Base-Backbone interact. energy: -2.663
local terms energy: -291.772890
where:
bonds (distance) C4'-P energy: -79.119
bonds (distance) P-C4' energy: -87.152
flat angles C4'-P-C4' energy: -90.100
flat angles P-C4'-P energy: -32.994
tors. eta vs tors. theta energy: -2.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -632.628622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.628622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.628622 (E_RNA)
where:
Base-Base interactions energy: -306.096
where: short stacking energy: -189.417
Base-Backbone interact. energy: -1.458
local terms energy: -325.074233
where:
bonds (distance) C4'-P energy: -83.331
bonds (distance) P-C4' energy: -77.341
flat angles C4'-P-C4' energy: -87.871
flat angles P-C4'-P energy: -62.581
tors. eta vs tors. theta energy: -13.950
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: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1889.129833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.129833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.129833 (E_RNA)
where:
Base-Base interactions energy: -1336.140
where: short stacking energy: -525.702
Base-Backbone interact. energy: -3.344
local terms energy: -549.646221
where:
bonds (distance) C4'-P energy: -110.253
bonds (distance) P-C4' energy: -106.155
flat angles C4'-P-C4' energy: -110.230
flat angles P-C4'-P energy: -80.384
tors. eta vs tors. theta energy: -142.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1790.526065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.526065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.526065 (E_RNA)
where:
Base-Base interactions energy: -1271.548
where: short stacking energy: -528.896
Base-Backbone interact. energy: 1.306
local terms energy: -520.283817
where:
bonds (distance) C4'-P energy: -90.293
bonds (distance) P-C4' energy: -94.962
flat angles C4'-P-C4' energy: -112.119
flat angles P-C4'-P energy: -81.728
tors. eta vs tors. theta energy: -141.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1726.209310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.209310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.209310 (E_RNA)
where:
Base-Base interactions energy: -1195.212
where: short stacking energy: -506.710
Base-Backbone interact. energy: 0.636
local terms energy: -531.632891
where:
bonds (distance) C4'-P energy: -94.588
bonds (distance) P-C4' energy: -101.420
flat angles C4'-P-C4' energy: -115.885
flat angles P-C4'-P energy: -81.325
tors. eta vs tors. theta energy: -138.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1599.105151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.105151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.105151 (E_RNA)
where:
Base-Base interactions energy: -1122.431
where: short stacking energy: -467.181
Base-Backbone interact. energy: -1.484
local terms energy: -475.190567
where:
bonds (distance) C4'-P energy: -85.525
bonds (distance) P-C4' energy: -96.529
flat angles C4'-P-C4' energy: -107.169
flat angles P-C4'-P energy: -61.983
tors. eta vs tors. theta energy: -123.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1530.053086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.053086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.053086 (E_RNA)
where:
Base-Base interactions energy: -1035.598
where: short stacking energy: -465.642
Base-Backbone interact. energy: -1.760
local terms energy: -492.694805
where:
bonds (distance) C4'-P energy: -94.297
bonds (distance) P-C4' energy: -93.258
flat angles C4'-P-C4' energy: -100.092
flat angles P-C4'-P energy: -72.789
tors. eta vs tors. theta energy: -132.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1418.878898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.878898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.878898 (E_RNA)
where:
Base-Base interactions energy: -988.382
where: short stacking energy: -424.500
Base-Backbone interact. energy: -1.745
local terms energy: -428.752483
where:
bonds (distance) C4'-P energy: -67.036
bonds (distance) P-C4' energy: -86.847
flat angles C4'-P-C4' energy: -99.152
flat angles P-C4'-P energy: -76.918
tors. eta vs tors. theta energy: -98.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1300.290386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.290386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.290386 (E_RNA)
where:
Base-Base interactions energy: -875.045
where: short stacking energy: -388.807
Base-Backbone interact. energy: -1.797
local terms energy: -423.447838
where:
bonds (distance) C4'-P energy: -69.627
bonds (distance) P-C4' energy: -102.131
flat angles C4'-P-C4' energy: -93.870
flat angles P-C4'-P energy: -64.071
tors. eta vs tors. theta energy: -93.748
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: 8, replica: 7
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -984.566457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.566457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.566457 (E_RNA)
where:
Base-Base interactions energy: -649.922
where: short stacking energy: -300.913
Base-Backbone interact. energy: 2.150
local terms energy: -336.795113
where:
bonds (distance) C4'-P energy: -75.951
bonds (distance) P-C4' energy: -88.316
flat angles C4'-P-C4' energy: -81.740
flat angles P-C4'-P energy: -42.442
tors. eta vs tors. theta energy: -48.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -707.889732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.889732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.889732 (E_RNA)
where:
Base-Base interactions energy: -380.559
where: short stacking energy: -209.494
Base-Backbone interact. energy: -1.248
local terms energy: -326.082529
where:
bonds (distance) C4'-P energy: -78.425
bonds (distance) P-C4' energy: -96.172
flat angles C4'-P-C4' energy: -82.589
flat angles P-C4'-P energy: -64.992
tors. eta vs tors. theta energy: -3.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -612.834116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.834116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.834116 (E_RNA)
where:
Base-Base interactions energy: -294.850
where: short stacking energy: -169.299
Base-Backbone interact. energy: 2.634
local terms energy: -320.617930
where:
bonds (distance) C4'-P energy: -93.665
bonds (distance) P-C4' energy: -91.628
flat angles C4'-P-C4' energy: -87.201
flat angles P-C4'-P energy: -35.961
tors. eta vs tors. theta energy: -12.163
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: 215
Temperature: 0.900000
Total energy: -1883.808537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.808537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.808537 (E_RNA)
where:
Base-Base interactions energy: -1325.680
where: short stacking energy: -524.712
Base-Backbone interact. energy: -1.015
local terms energy: -557.113152
where:
bonds (distance) C4'-P energy: -107.019
bonds (distance) P-C4' energy: -98.126
flat angles C4'-P-C4' energy: -118.617
flat angles P-C4'-P energy: -88.114
tors. eta vs tors. theta energy: -145.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1786.621328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.621328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.621328 (E_RNA)
where:
Base-Base interactions energy: -1247.046
where: short stacking energy: -498.268
Base-Backbone interact. energy: -3.711
local terms energy: -535.863845
where:
bonds (distance) C4'-P energy: -104.822
bonds (distance) P-C4' energy: -103.888
flat angles C4'-P-C4' energy: -109.189
flat angles P-C4'-P energy: -73.717
tors. eta vs tors. theta energy: -144.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1660.533820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.533820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.533820 (E_RNA)
where:
Base-Base interactions energy: -1145.692
where: short stacking energy: -487.124
Base-Backbone interact. energy: -0.261
local terms energy: -514.579958
where:
bonds (distance) C4'-P energy: -100.871
bonds (distance) P-C4' energy: -95.025
flat angles C4'-P-C4' energy: -120.647
flat angles P-C4'-P energy: -61.576
tors. eta vs tors. theta energy: -136.460
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: 4
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1603.116222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.116222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.116222 (E_RNA)
where:
Base-Base interactions energy: -1136.474
where: short stacking energy: -477.067
Base-Backbone interact. energy: -0.691
local terms energy: -465.951423
where:
bonds (distance) C4'-P energy: -93.533
bonds (distance) P-C4' energy: -90.720
flat angles C4'-P-C4' energy: -106.508
flat angles P-C4'-P energy: -68.939
tors. eta vs tors. theta energy: -106.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1519.642000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.642000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.642000 (E_RNA)
where:
Base-Base interactions energy: -1032.160
where: short stacking energy: -461.565
Base-Backbone interact. energy: -2.193
local terms energy: -485.289294
where:
bonds (distance) C4'-P energy: -95.526
bonds (distance) P-C4' energy: -81.155
flat angles C4'-P-C4' energy: -106.158
flat angles P-C4'-P energy: -72.863
tors. eta vs tors. theta energy: -129.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1437.461208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.461208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.461208 (E_RNA)
where:
Base-Base interactions energy: -980.074
where: short stacking energy: -381.213
Base-Backbone interact. energy: -1.057
local terms energy: -456.330367
where:
bonds (distance) C4'-P energy: -99.148
bonds (distance) P-C4' energy: -105.320
flat angles C4'-P-C4' energy: -79.993
flat angles P-C4'-P energy: -77.555
tors. eta vs tors. theta energy: -94.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1336.873025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.873025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.873025 (E_RNA)
where:
Base-Base interactions energy: -925.407
where: short stacking energy: -406.046
Base-Backbone interact. energy: -0.532
local terms energy: -410.933691
where:
bonds (distance) C4'-P energy: -77.752
bonds (distance) P-C4' energy: -80.668
flat angles C4'-P-C4' energy: -91.737
flat angles P-C4'-P energy: -62.818
tors. eta vs tors. theta energy: -97.959
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: 7
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -988.794087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.794087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.794087 (E_RNA)
where:
Base-Base interactions energy: -626.833
where: short stacking energy: -293.938
Base-Backbone interact. energy: -3.230
local terms energy: -358.730996
where:
bonds (distance) C4'-P energy: -79.586
bonds (distance) P-C4' energy: -83.825
flat angles C4'-P-C4' energy: -82.905
flat angles P-C4'-P energy: -55.428
tors. eta vs tors. theta energy: -56.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -696.510590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.510590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.510590 (E_RNA)
where:
Base-Base interactions energy: -379.924
where: short stacking energy: -196.736
Base-Backbone interact. energy: -0.711
local terms energy: -315.875336
where:
bonds (distance) C4'-P energy: -89.593
bonds (distance) P-C4' energy: -86.582
flat angles C4'-P-C4' energy: -81.065
flat angles P-C4'-P energy: -43.688
tors. eta vs tors. theta energy: -14.947
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: 215
Temperature: 1.350000
Total energy: -605.373129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.373129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.373129 (E_RNA)
where:
Base-Base interactions energy: -302.459
where: short stacking energy: -181.749
Base-Backbone interact. energy: -0.582
local terms energy: -302.331414
where:
bonds (distance) C4'-P energy: -81.058
bonds (distance) P-C4' energy: -74.148
flat angles C4'-P-C4' energy: -72.882
flat angles P-C4'-P energy: -48.928
tors. eta vs tors. theta energy: -25.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1902.812092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.812092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.812092 (E_RNA)
where:
Base-Base interactions energy: -1354.651
where: short stacking energy: -540.675
Base-Backbone interact. energy: -1.072
local terms energy: -547.089079
where:
bonds (distance) C4'-P energy: -101.251
bonds (distance) P-C4' energy: -98.660
flat angles C4'-P-C4' energy: -113.085
flat angles P-C4'-P energy: -92.992
tors. eta vs tors. theta energy: -141.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1777.237441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.237441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.237441 (E_RNA)
where:
Base-Base interactions energy: -1242.690
where: short stacking energy: -519.279
Base-Backbone interact. energy: 0.340
local terms energy: -534.886917
where:
bonds (distance) C4'-P energy: -92.375
bonds (distance) P-C4' energy: -107.582
flat angles C4'-P-C4' energy: -110.477
flat angles P-C4'-P energy: -77.188
tors. eta vs tors. theta energy: -147.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1664.132710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.132710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.132710 (E_RNA)
where:
Base-Base interactions energy: -1163.822
where: short stacking energy: -485.404
Base-Backbone interact. energy: -0.679
local terms energy: -499.632310
where:
bonds (distance) C4'-P energy: -99.665
bonds (distance) P-C4' energy: -85.708
flat angles C4'-P-C4' energy: -120.442
flat angles P-C4'-P energy: -64.529
tors. eta vs tors. theta energy: -129.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1543.853308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.853308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.853308 (E_RNA)
where:
Base-Base interactions energy: -1089.334
where: short stacking energy: -464.748
Base-Backbone interact. energy: -2.733
local terms energy: -451.786140
where:
bonds (distance) C4'-P energy: -73.226
bonds (distance) P-C4' energy: -85.668
flat angles C4'-P-C4' energy: -115.643
flat angles P-C4'-P energy: -63.941
tors. eta vs tors. theta energy: -113.308
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: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1523.022058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.022058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.022058 (E_RNA)
where:
Base-Base interactions energy: -1045.318
where: short stacking energy: -451.590
Base-Backbone interact. energy: 3.774
local terms energy: -481.478312
where:
bonds (distance) C4'-P energy: -96.999
bonds (distance) P-C4' energy: -94.528
flat angles C4'-P-C4' energy: -99.381
flat angles P-C4'-P energy: -69.018
tors. eta vs tors. theta energy: -121.553
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: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1428.270917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.270917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.270917 (E_RNA)
where:
Base-Base interactions energy: -990.936
where: short stacking energy: -402.674
Base-Backbone interact. energy: 1.865
local terms energy: -439.199832
where:
bonds (distance) C4'-P energy: -85.714
bonds (distance) P-C4' energy: -93.483
flat angles C4'-P-C4' energy: -108.320
flat angles P-C4'-P energy: -55.019
tors. eta vs tors. theta energy: -96.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1309.492522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.492522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.492522 (E_RNA)
where:
Base-Base interactions energy: -879.417
where: short stacking energy: -350.456
Base-Backbone interact. energy: -1.553
local terms energy: -428.522440
where:
bonds (distance) C4'-P energy: -92.438
bonds (distance) P-C4' energy: -102.285
flat angles C4'-P-C4' energy: -95.415
flat angles P-C4'-P energy: -62.073
tors. eta vs tors. theta energy: -76.311
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: 8, replica: 7
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -996.091405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.091405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.091405 (E_RNA)
where:
Base-Base interactions energy: -631.477
where: short stacking energy: -259.900
Base-Backbone interact. energy: 0.801
local terms energy: -365.415300
where:
bonds (distance) C4'-P energy: -92.187
bonds (distance) P-C4' energy: -89.865
flat angles C4'-P-C4' energy: -87.319
flat angles P-C4'-P energy: -64.168
tors. eta vs tors. theta energy: -31.875
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: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -695.365304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.365304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.365304 (E_RNA)
where:
Base-Base interactions energy: -375.391
where: short stacking energy: -212.534
Base-Backbone interact. energy: -1.185
local terms energy: -318.789614
where:
bonds (distance) C4'-P energy: -87.806
bonds (distance) P-C4' energy: -87.452
flat angles C4'-P-C4' energy: -65.546
flat angles P-C4'-P energy: -58.399
tors. eta vs tors. theta energy: -19.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -591.350795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.350795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.350795 (E_RNA)
where:
Base-Base interactions energy: -312.389
where: short stacking energy: -191.474
Base-Backbone interact. energy: 7.496
local terms energy: -286.458228
where:
bonds (distance) C4'-P energy: -75.987
bonds (distance) P-C4' energy: -82.800
flat angles C4'-P-C4' energy: -65.818
flat angles P-C4'-P energy: -37.079
tors. eta vs tors. theta energy: -24.774
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: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1877.455478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.455478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.455478 (E_RNA)
where:
Base-Base interactions energy: -1311.567
where: short stacking energy: -537.592
Base-Backbone interact. energy: -0.258
local terms energy: -565.630374
where:
bonds (distance) C4'-P energy: -100.245
bonds (distance) P-C4' energy: -117.081
flat angles C4'-P-C4' energy: -123.658
flat angles P-C4'-P energy: -75.566
tors. eta vs tors. theta energy: -149.079
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: 2, replica: 2
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1789.611280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.611280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.611280 (E_RNA)
where:
Base-Base interactions energy: -1269.065
where: short stacking energy: -521.307
Base-Backbone interact. energy: -0.268
local terms energy: -520.278601
where:
bonds (distance) C4'-P energy: -91.077
bonds (distance) P-C4' energy: -95.314
flat angles C4'-P-C4' energy: -111.915
flat angles P-C4'-P energy: -85.527
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: 3, replica: 5
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1686.498306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.498306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.498306 (E_RNA)
where:
Base-Base interactions energy: -1147.554
where: short stacking energy: -511.912
Base-Backbone interact. energy: 3.759
local terms energy: -542.702656
where:
bonds (distance) C4'-P energy: -103.124
bonds (distance) P-C4' energy: -109.731
flat angles C4'-P-C4' energy: -113.925
flat angles P-C4'-P energy: -81.259
tors. eta vs tors. theta energy: -134.663
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: 217
Temperature: 1.050000
Total energy: -1605.168388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.168388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.168388 (E_RNA)
where:
Base-Base interactions energy: -1111.460
where: short stacking energy: -472.184
Base-Backbone interact. energy: -1.650
local terms energy: -492.058234
where:
bonds (distance) C4'-P energy: -96.702
bonds (distance) P-C4' energy: -96.676
flat angles C4'-P-C4' energy: -101.368
flat angles P-C4'-P energy: -76.325
tors. eta vs tors. theta energy: -120.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1520.872546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.872546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.872546 (E_RNA)
where:
Base-Base interactions energy: -1069.053
where: short stacking energy: -442.418
Base-Backbone interact. energy: 2.616
local terms energy: -454.435670
where:
bonds (distance) C4'-P energy: -71.263
bonds (distance) P-C4' energy: -104.582
flat angles C4'-P-C4' energy: -110.551
flat angles P-C4'-P energy: -57.180
tors. eta vs tors. theta energy: -110.859
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: 8
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1445.921095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.921095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.921095 (E_RNA)
where:
Base-Base interactions energy: -968.817
where: short stacking energy: -415.534
Base-Backbone interact. energy: -3.508
local terms energy: -473.596337
where:
bonds (distance) C4'-P energy: -97.534
bonds (distance) P-C4' energy: -104.009
flat angles C4'-P-C4' energy: -109.364
flat angles P-C4'-P energy: -69.686
tors. eta vs tors. theta energy: -93.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1360.913440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.913440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.913440 (E_RNA)
where:
Base-Base interactions energy: -918.578
where: short stacking energy: -405.917
Base-Backbone interact. energy: -1.636
local terms energy: -440.700096
where:
bonds (distance) C4'-P energy: -89.022
bonds (distance) P-C4' energy: -94.574
flat angles C4'-P-C4' energy: -105.305
flat angles P-C4'-P energy: -60.750
tors. eta vs tors. theta energy: -91.049
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: 7
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1050.871525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.871525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.871525 (E_RNA)
where:
Base-Base interactions energy: -658.411
where: short stacking energy: -272.493
Base-Backbone interact. energy: 1.504
local terms energy: -393.964721
where:
bonds (distance) C4'-P energy: -91.136
bonds (distance) P-C4' energy: -93.146
flat angles C4'-P-C4' energy: -107.384
flat angles P-C4'-P energy: -56.723
tors. eta vs tors. theta energy: -45.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -668.744649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.744649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.744649 (E_RNA)
where:
Base-Base interactions energy: -361.273
where: short stacking energy: -178.874
Base-Backbone interact. energy: 1.393
local terms energy: -308.864588
where:
bonds (distance) C4'-P energy: -91.188
bonds (distance) P-C4' energy: -105.315
flat angles C4'-P-C4' energy: -74.901
flat angles P-C4'-P energy: -31.484
tors. eta vs tors. theta energy: -5.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -598.770456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.770456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.770456 (E_RNA)
where:
Base-Base interactions energy: -307.598
where: short stacking energy: -151.644
Base-Backbone interact. energy: 1.757
local terms energy: -292.928970
where:
bonds (distance) C4'-P energy: -80.059
bonds (distance) P-C4' energy: -82.360
flat angles C4'-P-C4' energy: -68.487
flat angles P-C4'-P energy: -52.319
tors. eta vs tors. theta energy: -9.704
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: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1872.344438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.344438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.344438 (E_RNA)
where:
Base-Base interactions energy: -1331.024
where: short stacking energy: -539.269
Base-Backbone interact. energy: -0.092
local terms energy: -541.227883
where:
bonds (distance) C4'-P energy: -111.382
bonds (distance) P-C4' energy: -95.232
flat angles C4'-P-C4' energy: -118.179
flat angles P-C4'-P energy: -77.490
tors. eta vs tors. theta energy: -138.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1804.578770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.578770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.578770 (E_RNA)
where:
Base-Base interactions energy: -1260.409
where: short stacking energy: -536.356
Base-Backbone interact. energy: -3.563
local terms energy: -540.606728
where:
bonds (distance) C4'-P energy: -96.910
bonds (distance) P-C4' energy: -100.826
flat angles C4'-P-C4' energy: -118.532
flat angles P-C4'-P energy: -80.927
tors. eta vs tors. theta energy: -143.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1659.196133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.196133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.196133 (E_RNA)
where:
Base-Base interactions energy: -1137.685
where: short stacking energy: -482.269
Base-Backbone interact. energy: -3.117
local terms energy: -518.394088
where:
bonds (distance) C4'-P energy: -102.241
bonds (distance) P-C4' energy: -86.395
flat angles C4'-P-C4' energy: -116.508
flat angles P-C4'-P energy: -79.830
tors. eta vs tors. theta energy: -133.419
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: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1566.354133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.354133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.354133 (E_RNA)
where:
Base-Base interactions energy: -1076.118
where: short stacking energy: -455.538
Base-Backbone interact. energy: -0.723
local terms energy: -489.512964
where:
bonds (distance) C4'-P energy: -95.333
bonds (distance) P-C4' energy: -83.380
flat angles C4'-P-C4' energy: -115.500
flat angles P-C4'-P energy: -79.262
tors. eta vs tors. theta energy: -116.038
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: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1547.375573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.375573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.375573 (E_RNA)
where:
Base-Base interactions energy: -1074.891
where: short stacking energy: -429.561
Base-Backbone interact. energy: -0.499
local terms energy: -471.985224
where:
bonds (distance) C4'-P energy: -86.278
bonds (distance) P-C4' energy: -95.030
flat angles C4'-P-C4' energy: -109.910
flat angles P-C4'-P energy: -63.110
tors. eta vs tors. theta energy: -117.657
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: 218
Temperature: 1.150000
Total energy: -1457.858532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.858532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.858532 (E_RNA)
where:
Base-Base interactions energy: -1007.368
where: short stacking energy: -428.068
Base-Backbone interact. energy: -1.193
local terms energy: -449.297096
where:
bonds (distance) C4'-P energy: -92.207
bonds (distance) P-C4' energy: -96.777
flat angles C4'-P-C4' energy: -94.985
flat angles P-C4'-P energy: -62.815
tors. eta vs tors. theta energy: -102.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1366.986168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.986168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.986168 (E_RNA)
where:
Base-Base interactions energy: -917.953
where: short stacking energy: -395.248
Base-Backbone interact. energy: -0.785
local terms energy: -448.247824
where:
bonds (distance) C4'-P energy: -101.895
bonds (distance) P-C4' energy: -96.730
flat angles C4'-P-C4' energy: -88.448
flat angles P-C4'-P energy: -54.357
tors. eta vs tors. theta energy: -106.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1023.343682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.343682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.343682 (E_RNA)
where:
Base-Base interactions energy: -673.294
where: short stacking energy: -296.199
Base-Backbone interact. energy: 3.551
local terms energy: -353.600739
where:
bonds (distance) C4'-P energy: -66.081
bonds (distance) P-C4' energy: -83.042
flat angles C4'-P-C4' energy: -92.473
flat angles P-C4'-P energy: -59.245
tors. eta vs tors. theta energy: -52.760
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: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -718.415558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.415558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.415558 (E_RNA)
where:
Base-Base interactions energy: -410.440
where: short stacking energy: -222.290
Base-Backbone interact. energy: -1.044
local terms energy: -306.931522
where:
bonds (distance) C4'-P energy: -78.184
bonds (distance) P-C4' energy: -87.560
flat angles C4'-P-C4' energy: -82.380
flat angles P-C4'-P energy: -42.940
tors. eta vs tors. theta energy: -15.868
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: 218
Temperature: 1.350000
Total energy: -594.456189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.456189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.456189 (E_RNA)
where:
Base-Base interactions energy: -284.727
where: short stacking energy: -173.956
Base-Backbone interact. energy: -1.119
local terms energy: -308.609444
where:
bonds (distance) C4'-P energy: -75.285
bonds (distance) P-C4' energy: -94.443
flat angles C4'-P-C4' energy: -79.018
flat angles P-C4'-P energy: -46.835
tors. eta vs tors. theta energy: -13.029
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: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1903.050559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.050559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.050559 (E_RNA)
where:
Base-Base interactions energy: -1325.022
where: short stacking energy: -555.192
Base-Backbone interact. energy: -1.634
local terms energy: -576.393917
where:
bonds (distance) C4'-P energy: -103.739
bonds (distance) P-C4' energy: -110.462
flat angles C4'-P-C4' energy: -124.175
flat angles P-C4'-P energy: -84.642
tors. eta vs tors. theta energy: -153.377
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: 219
Temperature: 0.950000
Total energy: -1813.457220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.457220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.457220 (E_RNA)
where:
Base-Base interactions energy: -1272.768
where: short stacking energy: -522.884
Base-Backbone interact. energy: -2.799
local terms energy: -537.889794
where:
bonds (distance) C4'-P energy: -87.429
bonds (distance) P-C4' energy: -111.166
flat angles C4'-P-C4' energy: -115.878
flat angles P-C4'-P energy: -77.834
tors. eta vs tors. theta energy: -145.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1671.380937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.380937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.380937 (E_RNA)
where:
Base-Base interactions energy: -1141.253
where: short stacking energy: -494.119
Base-Backbone interact. energy: -2.954
local terms energy: -527.173327
where:
bonds (distance) C4'-P energy: -99.768
bonds (distance) P-C4' energy: -104.681
flat angles C4'-P-C4' energy: -104.875
flat angles P-C4'-P energy: -80.454
tors. eta vs tors. theta energy: -137.395
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: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1558.188251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.188251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.188251 (E_RNA)
where:
Base-Base interactions energy: -1063.773
where: short stacking energy: -456.264
Base-Backbone interact. energy: -1.960
local terms energy: -492.455561
where:
bonds (distance) C4'-P energy: -89.550
bonds (distance) P-C4' energy: -101.050
flat angles C4'-P-C4' energy: -114.066
flat angles P-C4'-P energy: -70.706
tors. eta vs tors. theta energy: -117.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1501.503448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.503448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.503448 (E_RNA)
where:
Base-Base interactions energy: -1012.857
where: short stacking energy: -437.449
Base-Backbone interact. energy: -1.133
local terms energy: -487.513119
where:
bonds (distance) C4'-P energy: -103.556
bonds (distance) P-C4' energy: -93.136
flat angles C4'-P-C4' energy: -111.612
flat angles P-C4'-P energy: -74.240
tors. eta vs tors. theta energy: -104.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1423.385072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.385072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.385072 (E_RNA)
where:
Base-Base interactions energy: -972.933
where: short stacking energy: -429.952
Base-Backbone interact. energy: -0.597
local terms energy: -449.854917
where:
bonds (distance) C4'-P energy: -99.603
bonds (distance) P-C4' energy: -89.091
flat angles C4'-P-C4' energy: -96.535
flat angles P-C4'-P energy: -60.139
tors. eta vs tors. theta energy: -104.487
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: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1374.229309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.229309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.229309 (E_RNA)
where:
Base-Base interactions energy: -946.755
where: short stacking energy: -414.812
Base-Backbone interact. energy: -0.635
local terms energy: -426.839347
where:
bonds (distance) C4'-P energy: -84.299
bonds (distance) P-C4' energy: -83.039
flat angles C4'-P-C4' energy: -103.558
flat angles P-C4'-P energy: -52.043
tors. eta vs tors. theta energy: -103.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1091.363698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.363698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.363698 (E_RNA)
where:
Base-Base interactions energy: -719.703
where: short stacking energy: -331.483
Base-Backbone interact. energy: -1.022
local terms energy: -370.638838
where:
bonds (distance) C4'-P energy: -85.277
bonds (distance) P-C4' energy: -85.225
flat angles C4'-P-C4' energy: -78.844
flat angles P-C4'-P energy: -51.296
tors. eta vs tors. theta energy: -69.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -733.116265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.116265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.116265 (E_RNA)
where:
Base-Base interactions energy: -399.006
where: short stacking energy: -210.903
Base-Backbone interact. energy: -0.410
local terms energy: -333.699550
where:
bonds (distance) C4'-P energy: -87.300
bonds (distance) P-C4' energy: -99.513
flat angles C4'-P-C4' energy: -79.060
flat angles P-C4'-P energy: -53.954
tors. eta vs tors. theta energy: -13.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -561.009276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.009276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.009276 (E_RNA)
where:
Base-Base interactions energy: -272.862
where: short stacking energy: -174.023
Base-Backbone interact. energy: -1.137
local terms energy: -287.010622
where:
bonds (distance) C4'-P energy: -73.848
bonds (distance) P-C4' energy: -79.798
flat angles C4'-P-C4' energy: -69.328
flat angles P-C4'-P energy: -47.604
tors. eta vs tors. theta energy: -16.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1863.727024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.727024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.727024 (E_RNA)
where:
Base-Base interactions energy: -1314.100
where: short stacking energy: -523.185
Base-Backbone interact. energy: -0.679
local terms energy: -548.947641
where:
bonds (distance) C4'-P energy: -107.130
bonds (distance) P-C4' energy: -110.096
flat angles C4'-P-C4' energy: -118.624
flat angles P-C4'-P energy: -80.527
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: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1820.498428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.498428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.498428 (E_RNA)
where:
Base-Base interactions energy: -1266.043
where: short stacking energy: -526.237
Base-Backbone interact. energy: -1.518
local terms energy: -552.937850
where:
bonds (distance) C4'-P energy: -96.758
bonds (distance) P-C4' energy: -95.247
flat angles C4'-P-C4' energy: -125.113
flat angles P-C4'-P energy: -87.917
tors. eta vs tors. theta energy: -147.902
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: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1686.165465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.165465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.165465 (E_RNA)
where:
Base-Base interactions energy: -1204.354
where: short stacking energy: -499.123
Base-Backbone interact. energy: 0.682
local terms energy: -482.493773
where:
bonds (distance) C4'-P energy: -90.380
bonds (distance) P-C4' energy: -85.104
flat angles C4'-P-C4' energy: -102.347
flat angles P-C4'-P energy: -72.463
tors. eta vs tors. theta energy: -132.199
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: 220
Temperature: 1.050000
Total energy: -1591.195611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.195611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.195611 (E_RNA)
where:
Base-Base interactions energy: -1094.842
where: short stacking energy: -471.123
Base-Backbone interact. energy: -2.418
local terms energy: -493.936146
where:
bonds (distance) C4'-P energy: -90.403
bonds (distance) P-C4' energy: -99.684
flat angles C4'-P-C4' energy: -106.859
flat angles P-C4'-P energy: -76.947
tors. eta vs tors. theta energy: -120.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1504.679530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.679530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.679530 (E_RNA)
where:
Base-Base interactions energy: -1010.835
where: short stacking energy: -448.634
Base-Backbone interact. energy: 1.241
local terms energy: -495.085173
where:
bonds (distance) C4'-P energy: -85.019
bonds (distance) P-C4' energy: -110.813
flat angles C4'-P-C4' energy: -104.405
flat angles P-C4'-P energy: -66.748
tors. eta vs tors. theta energy: -128.100
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: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1466.961503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.961503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.961503 (E_RNA)
where:
Base-Base interactions energy: -998.874
where: short stacking energy: -420.951
Base-Backbone interact. energy: -2.887
local terms energy: -465.199945
where:
bonds (distance) C4'-P energy: -92.706
bonds (distance) P-C4' energy: -94.591
flat angles C4'-P-C4' energy: -106.217
flat angles P-C4'-P energy: -63.903
tors. eta vs tors. theta energy: -107.782
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: 7, replica: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1353.489164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.489164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.489164 (E_RNA)
where:
Base-Base interactions energy: -913.000
where: short stacking energy: -390.153
Base-Backbone interact. energy: -1.336
local terms energy: -439.152708
where:
bonds (distance) C4'-P energy: -89.831
bonds (distance) P-C4' energy: -93.514
flat angles C4'-P-C4' energy: -101.294
flat angles P-C4'-P energy: -57.835
tors. eta vs tors. theta energy: -96.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1080.855952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.855952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.855952 (E_RNA)
where:
Base-Base interactions energy: -706.741
where: short stacking energy: -311.661
Base-Backbone interact. energy: 0.548
local terms energy: -374.662799
where:
bonds (distance) C4'-P energy: -95.389
bonds (distance) P-C4' energy: -78.234
flat angles C4'-P-C4' energy: -89.039
flat angles P-C4'-P energy: -49.926
tors. eta vs tors. theta energy: -62.074
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: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -828.919112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.919112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.919112 (E_RNA)
where:
Base-Base interactions energy: -491.651
where: short stacking energy: -243.493
Base-Backbone interact. energy: 0.290
local terms energy: -337.557740
where:
bonds (distance) C4'-P energy: -68.938
bonds (distance) P-C4' energy: -92.866
flat angles C4'-P-C4' energy: -96.111
flat angles P-C4'-P energy: -54.622
tors. eta vs tors. theta energy: -25.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -574.372124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.372124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.372124 (E_RNA)
where:
Base-Base interactions energy: -289.218
where: short stacking energy: -174.070
Base-Backbone interact. energy: 5.092
local terms energy: -290.246213
where:
bonds (distance) C4'-P energy: -82.344
bonds (distance) P-C4' energy: -66.314
flat angles C4'-P-C4' energy: -72.746
flat angles P-C4'-P energy: -60.556
tors. eta vs tors. theta energy: -8.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1867.162855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.162855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.162855 (E_RNA)
where:
Base-Base interactions energy: -1332.715
where: short stacking energy: -523.657
Base-Backbone interact. energy: 0.925
local terms energy: -535.373060
where:
bonds (distance) C4'-P energy: -93.873
bonds (distance) P-C4' energy: -99.014
flat angles C4'-P-C4' energy: -125.598
flat angles P-C4'-P energy: -84.475
tors. eta vs tors. theta energy: -132.413
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: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1761.653466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.653466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.653466 (E_RNA)
where:
Base-Base interactions energy: -1212.832
where: short stacking energy: -499.002
Base-Backbone interact. energy: 2.393
local terms energy: -551.215152
where:
bonds (distance) C4'-P energy: -97.763
bonds (distance) P-C4' energy: -105.186
flat angles C4'-P-C4' energy: -121.901
flat angles P-C4'-P energy: -86.138
tors. eta vs tors. theta energy: -140.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1675.298712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.298712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.298712 (E_RNA)
where:
Base-Base interactions energy: -1164.838
where: short stacking energy: -469.298
Base-Backbone interact. energy: 2.536
local terms energy: -512.996632
where:
bonds (distance) C4'-P energy: -99.717
bonds (distance) P-C4' energy: -96.168
flat angles C4'-P-C4' energy: -123.265
flat angles P-C4'-P energy: -72.186
tors. eta vs tors. theta energy: -121.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1616.562959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.562959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.562959 (E_RNA)
where:
Base-Base interactions energy: -1120.501
where: short stacking energy: -466.305
Base-Backbone interact. energy: -0.512
local terms energy: -495.550081
where:
bonds (distance) C4'-P energy: -91.907
bonds (distance) P-C4' energy: -100.683
flat angles C4'-P-C4' energy: -112.227
flat angles P-C4'-P energy: -69.177
tors. eta vs tors. theta energy: -121.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1529.649226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.649226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.649226 (E_RNA)
where:
Base-Base interactions energy: -1064.755
where: short stacking energy: -463.712
Base-Backbone interact. energy: -0.854
local terms energy: -464.039536
where:
bonds (distance) C4'-P energy: -88.776
bonds (distance) P-C4' energy: -86.510
flat angles C4'-P-C4' energy: -108.879
flat angles P-C4'-P energy: -63.138
tors. eta vs tors. theta energy: -116.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1444.042604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.042604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.042604 (E_RNA)
where:
Base-Base interactions energy: -987.270
where: short stacking energy: -441.001
Base-Backbone interact. energy: 1.751
local terms energy: -458.523547
where:
bonds (distance) C4'-P energy: -85.081
bonds (distance) P-C4' energy: -85.970
flat angles C4'-P-C4' energy: -100.109
flat angles P-C4'-P energy: -71.868
tors. eta vs tors. theta energy: -115.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1328.603898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.603898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.603898 (E_RNA)
where:
Base-Base interactions energy: -903.255
where: short stacking energy: -417.863
Base-Backbone interact. energy: -2.329
local terms energy: -423.019799
where:
bonds (distance) C4'-P energy: -76.314
bonds (distance) P-C4' energy: -87.012
flat angles C4'-P-C4' energy: -91.396
flat angles P-C4'-P energy: -57.877
tors. eta vs tors. theta energy: -110.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1057.196393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.196393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.196393 (E_RNA)
where:
Base-Base interactions energy: -664.940
where: short stacking energy: -299.156
Base-Backbone interact. energy: 0.200
local terms energy: -392.456836
where:
bonds (distance) C4'-P energy: -96.307
bonds (distance) P-C4' energy: -101.910
flat angles C4'-P-C4' energy: -92.425
flat angles P-C4'-P energy: -52.776
tors. eta vs tors. theta energy: -49.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -749.750833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.750833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.750833 (E_RNA)
where:
Base-Base interactions energy: -415.081
where: short stacking energy: -207.618
Base-Backbone interact. energy: 5.401
local terms energy: -340.070379
where:
bonds (distance) C4'-P energy: -84.239
bonds (distance) P-C4' energy: -100.723
flat angles C4'-P-C4' energy: -103.393
flat angles P-C4'-P energy: -37.156
tors. eta vs tors. theta energy: -14.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -549.449575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.449575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.449575 (E_RNA)
where:
Base-Base interactions energy: -279.107
where: short stacking energy: -169.433
Base-Backbone interact. energy: -0.875
local terms energy: -269.467793
where:
bonds (distance) C4'-P energy: -66.093
bonds (distance) P-C4' energy: -93.984
flat angles C4'-P-C4' energy: -66.467
flat angles P-C4'-P energy: -47.957
tors. eta vs tors. theta energy: 5.034
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: 222
Temperature: 0.900000
Total energy: -1877.146202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.146202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.146202 (E_RNA)
where:
Base-Base interactions energy: -1328.260
where: short stacking energy: -512.218
Base-Backbone interact. energy: -4.980
local terms energy: -543.905899
where:
bonds (distance) C4'-P energy: -100.455
bonds (distance) P-C4' energy: -104.260
flat angles C4'-P-C4' energy: -115.408
flat angles P-C4'-P energy: -76.528
tors. eta vs tors. theta energy: -147.255
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: 222
Temperature: 0.950000
Total energy: -1805.944693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.944693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.944693 (E_RNA)
where:
Base-Base interactions energy: -1267.843
where: short stacking energy: -530.077
Base-Backbone interact. energy: -2.176
local terms energy: -535.926027
where:
bonds (distance) C4'-P energy: -102.405
bonds (distance) P-C4' energy: -89.361
flat angles C4'-P-C4' energy: -129.321
flat angles P-C4'-P energy: -84.101
tors. eta vs tors. theta energy: -130.738
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: 3, replica: 5
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1678.068541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.068541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.068541 (E_RNA)
where:
Base-Base interactions energy: -1172.337
where: short stacking energy: -507.403
Base-Backbone interact. energy: -1.137
local terms energy: -504.594651
where:
bonds (distance) C4'-P energy: -92.893
bonds (distance) P-C4' energy: -102.363
flat angles C4'-P-C4' energy: -104.541
flat angles P-C4'-P energy: -77.919
tors. eta vs tors. theta energy: -126.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1608.940513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.940513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.940513 (E_RNA)
where:
Base-Base interactions energy: -1098.659
where: short stacking energy: -478.590
Base-Backbone interact. energy: -0.945
local terms energy: -509.337194
where:
bonds (distance) C4'-P energy: -94.027
bonds (distance) P-C4' energy: -112.270
flat angles C4'-P-C4' energy: -110.793
flat angles P-C4'-P energy: -67.486
tors. eta vs tors. theta energy: -124.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1500.626091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.626091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.626091 (E_RNA)
where:
Base-Base interactions energy: -1032.434
where: short stacking energy: -461.554
Base-Backbone interact. energy: -0.241
local terms energy: -467.951389
where:
bonds (distance) C4'-P energy: -94.564
bonds (distance) P-C4' energy: -96.034
flat angles C4'-P-C4' energy: -102.815
flat angles P-C4'-P energy: -49.262
tors. eta vs tors. theta energy: -125.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1428.920344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.920344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.920344 (E_RNA)
where:
Base-Base interactions energy: -1008.520
where: short stacking energy: -427.935
Base-Backbone interact. energy: -2.155
local terms energy: -418.244622
where:
bonds (distance) C4'-P energy: -97.746
bonds (distance) P-C4' energy: -70.113
flat angles C4'-P-C4' energy: -93.686
flat angles P-C4'-P energy: -62.428
tors. eta vs tors. theta energy: -94.272
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: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1330.730030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.730030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.730030 (E_RNA)
where:
Base-Base interactions energy: -923.441
where: short stacking energy: -393.726
Base-Backbone interact. energy: -3.334
local terms energy: -403.954851
where:
bonds (distance) C4'-P energy: -73.942
bonds (distance) P-C4' energy: -84.821
flat angles C4'-P-C4' energy: -86.821
flat angles P-C4'-P energy: -62.862
tors. eta vs tors. theta energy: -95.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1102.679973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.679973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.679973 (E_RNA)
where:
Base-Base interactions energy: -731.813
where: short stacking energy: -301.266
Base-Backbone interact. energy: -0.166
local terms energy: -370.700647
where:
bonds (distance) C4'-P energy: -82.355
bonds (distance) P-C4' energy: -69.066
flat angles C4'-P-C4' energy: -94.552
flat angles P-C4'-P energy: -57.886
tors. eta vs tors. theta energy: -66.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -757.134303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.134303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.134303 (E_RNA)
where:
Base-Base interactions energy: -471.739
where: short stacking energy: -240.734
Base-Backbone interact. energy: -1.086
local terms energy: -284.309131
where:
bonds (distance) C4'-P energy: -73.523
bonds (distance) P-C4' energy: -83.687
flat angles C4'-P-C4' energy: -76.638
flat angles P-C4'-P energy: -33.892
tors. eta vs tors. theta energy: -16.568
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: 222
Temperature: 1.350000
Total energy: -526.117757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.117757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.117757 (E_RNA)
where:
Base-Base interactions energy: -228.490
where: short stacking energy: -145.806
Base-Backbone interact. energy: -1.237
local terms energy: -296.390929
where:
bonds (distance) C4'-P energy: -82.617
bonds (distance) P-C4' energy: -84.370
flat angles C4'-P-C4' energy: -74.845
flat angles P-C4'-P energy: -45.289
tors. eta vs tors. theta energy: -9.270
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: 223
Temperature: 0.900000
Total energy: -1905.676224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.676224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.676224 (E_RNA)
where:
Base-Base interactions energy: -1344.975
where: short stacking energy: -531.563
Base-Backbone interact. energy: 2.640
local terms energy: -563.340696
where:
bonds (distance) C4'-P energy: -97.047
bonds (distance) P-C4' energy: -115.005
flat angles C4'-P-C4' energy: -117.451
flat angles P-C4'-P energy: -92.338
tors. eta vs tors. theta energy: -141.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1790.716196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.716196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.716196 (E_RNA)
where:
Base-Base interactions energy: -1268.939
where: short stacking energy: -498.224
Base-Backbone interact. energy: -3.039
local terms energy: -518.737949
where:
bonds (distance) C4'-P energy: -93.694
bonds (distance) P-C4' energy: -106.029
flat angles C4'-P-C4' energy: -103.007
flat angles P-C4'-P energy: -73.310
tors. eta vs tors. theta energy: -142.698
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: 3, replica: 5
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1718.887335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.887335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.887335 (E_RNA)
where:
Base-Base interactions energy: -1164.666
where: short stacking energy: -476.387
Base-Backbone interact. energy: -1.269
local terms energy: -552.952694
where:
bonds (distance) C4'-P energy: -106.323
bonds (distance) P-C4' energy: -110.724
flat angles C4'-P-C4' energy: -118.143
flat angles P-C4'-P energy: -88.087
tors. eta vs tors. theta energy: -129.675
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: 223
Temperature: 1.050000
Total energy: -1590.440881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.440881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.440881 (E_RNA)
where:
Base-Base interactions energy: -1108.739
where: short stacking energy: -474.075
Base-Backbone interact. energy: -0.110
local terms energy: -481.592006
where:
bonds (distance) C4'-P energy: -85.346
bonds (distance) P-C4' energy: -89.817
flat angles C4'-P-C4' energy: -115.732
flat angles P-C4'-P energy: -69.408
tors. eta vs tors. theta energy: -121.290
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: 223
Temperature: 1.100000
Total energy: -1476.982661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.982661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.982661 (E_RNA)
where:
Base-Base interactions energy: -992.810
where: short stacking energy: -421.136
Base-Backbone interact. energy: -2.761
local terms energy: -481.412397
where:
bonds (distance) C4'-P energy: -104.934
bonds (distance) P-C4' energy: -108.966
flat angles C4'-P-C4' energy: -93.247
flat angles P-C4'-P energy: -65.852
tors. eta vs tors. theta energy: -108.414
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: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1446.035935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.035935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.035935 (E_RNA)
where:
Base-Base interactions energy: -1004.006
where: short stacking energy: -414.909
Base-Backbone interact. energy: 2.031
local terms energy: -444.061407
where:
bonds (distance) C4'-P energy: -88.014
bonds (distance) P-C4' energy: -76.101
flat angles C4'-P-C4' energy: -105.841
flat angles P-C4'-P energy: -71.088
tors. eta vs tors. theta energy: -103.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1352.465120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.465120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.465120 (E_RNA)
where:
Base-Base interactions energy: -903.437
where: short stacking energy: -397.524
Base-Backbone interact. energy: -2.374
local terms energy: -446.653890
where:
bonds (distance) C4'-P energy: -94.195
bonds (distance) P-C4' energy: -91.100
flat angles C4'-P-C4' energy: -94.272
flat angles P-C4'-P energy: -64.245
tors. eta vs tors. theta energy: -102.841
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: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1097.685418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.685418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.685418 (E_RNA)
where:
Base-Base interactions energy: -716.554
where: short stacking energy: -287.157
Base-Backbone interact. energy: -0.672
local terms energy: -380.459717
where:
bonds (distance) C4'-P energy: -86.104
bonds (distance) P-C4' energy: -92.611
flat angles C4'-P-C4' energy: -78.018
flat angles P-C4'-P energy: -68.513
tors. eta vs tors. theta energy: -55.213
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: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -782.832359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.832359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.832359 (E_RNA)
where:
Base-Base interactions energy: -444.509
where: short stacking energy: -222.854
Base-Backbone interact. energy: -0.379
local terms energy: -337.943898
where:
bonds (distance) C4'-P energy: -80.802
bonds (distance) P-C4' energy: -98.083
flat angles C4'-P-C4' energy: -64.546
flat angles P-C4'-P energy: -69.446
tors. eta vs tors. theta energy: -25.068
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: 223
Temperature: 1.350000
Total energy: -569.133284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.133284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.133284 (E_RNA)
where:
Base-Base interactions energy: -296.930
where: short stacking energy: -159.385
Base-Backbone interact. energy: 3.230
local terms energy: -275.433424
where:
bonds (distance) C4'-P energy: -78.653
bonds (distance) P-C4' energy: -65.546
flat angles C4'-P-C4' energy: -81.966
flat angles P-C4'-P energy: -45.421
tors. eta vs tors. theta energy: -3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1834.877032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.877032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.877032 (E_RNA)
where:
Base-Base interactions energy: -1285.943
where: short stacking energy: -524.093
Base-Backbone interact. energy: -1.842
local terms energy: -547.092433
where:
bonds (distance) C4'-P energy: -108.149
bonds (distance) P-C4' energy: -106.871
flat angles C4'-P-C4' energy: -114.351
flat angles P-C4'-P energy: -72.966
tors. eta vs tors. theta energy: -144.754
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: 224
Temperature: 0.950000
Total energy: -1833.095215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.095215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.095215 (E_RNA)
where:
Base-Base interactions energy: -1319.994
where: short stacking energy: -519.747
Base-Backbone interact. energy: -1.800
local terms energy: -511.300541
where:
bonds (distance) C4'-P energy: -92.523
bonds (distance) P-C4' energy: -93.949
flat angles C4'-P-C4' energy: -117.393
flat angles P-C4'-P energy: -64.753
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: 3, replica: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1706.299655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.299655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.299655 (E_RNA)
where:
Base-Base interactions energy: -1183.388
where: short stacking energy: -479.037
Base-Backbone interact. energy: -3.432
local terms energy: -519.480038
where:
bonds (distance) C4'-P energy: -100.160
bonds (distance) P-C4' energy: -104.105
flat angles C4'-P-C4' energy: -112.318
flat angles P-C4'-P energy: -69.587
tors. eta vs tors. theta energy: -133.310
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: 4
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1583.225407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.225407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.225407 (E_RNA)
where:
Base-Base interactions energy: -1117.634
where: short stacking energy: -454.294
Base-Backbone interact. energy: -0.644
local terms energy: -464.947431
where:
bonds (distance) C4'-P energy: -88.157
bonds (distance) P-C4' energy: -100.768
flat angles C4'-P-C4' energy: -105.697
flat angles P-C4'-P energy: -55.526
tors. eta vs tors. theta energy: -114.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1500.110625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.110625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.110625 (E_RNA)
where:
Base-Base interactions energy: -1012.641
where: short stacking energy: -444.871
Base-Backbone interact. energy: -2.133
local terms energy: -485.336182
where:
bonds (distance) C4'-P energy: -93.634
bonds (distance) P-C4' energy: -100.758
flat angles C4'-P-C4' energy: -108.590
flat angles P-C4'-P energy: -65.761
tors. eta vs tors. theta energy: -116.593
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: 224
Temperature: 1.150000
Total energy: -1477.335412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.335412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.335412 (E_RNA)
where:
Base-Base interactions energy: -1005.072
where: short stacking energy: -420.822
Base-Backbone interact. energy: -1.374
local terms energy: -470.890011
where:
bonds (distance) C4'-P energy: -83.284
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -105.927
flat angles P-C4'-P energy: -61.825
tors. eta vs tors. theta energy: -116.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1327.550768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.550768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.550768 (E_RNA)
where:
Base-Base interactions energy: -876.477
where: short stacking energy: -379.235
Base-Backbone interact. energy: -1.021
local terms energy: -450.052439
where:
bonds (distance) C4'-P energy: -85.930
bonds (distance) P-C4' energy: -96.128
flat angles C4'-P-C4' energy: -110.538
flat angles P-C4'-P energy: -68.992
tors. eta vs tors. theta energy: -88.465
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: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1045.137213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.137213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.137213 (E_RNA)
where:
Base-Base interactions energy: -687.508
where: short stacking energy: -289.383
Base-Backbone interact. energy: 1.163
local terms energy: -358.792121
where:
bonds (distance) C4'-P energy: -84.379
bonds (distance) P-C4' energy: -76.359
flat angles C4'-P-C4' energy: -88.285
flat angles P-C4'-P energy: -59.011
tors. eta vs tors. theta energy: -50.759
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: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -734.932763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.932763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.932763 (E_RNA)
where:
Base-Base interactions energy: -416.040
where: short stacking energy: -202.057
Base-Backbone interact. energy: 2.487
local terms energy: -321.379497
where:
bonds (distance) C4'-P energy: -79.261
bonds (distance) P-C4' energy: -84.739
flat angles C4'-P-C4' energy: -83.547
flat angles P-C4'-P energy: -59.520
tors. eta vs tors. theta energy: -14.313
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: 224
Temperature: 1.350000
Total energy: -561.606032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.606032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.606032 (E_RNA)
where:
Base-Base interactions energy: -288.194
where: short stacking energy: -165.611
Base-Backbone interact. energy: 3.443
local terms energy: -276.855409
where:
bonds (distance) C4'-P energy: -53.116
bonds (distance) P-C4' energy: -91.124
flat angles C4'-P-C4' energy: -82.813
flat angles P-C4'-P energy: -34.598
tors. eta vs tors. theta energy: -15.204
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: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1827.996059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.996059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.996059 (E_RNA)
where:
Base-Base interactions energy: -1289.494
where: short stacking energy: -521.998
Base-Backbone interact. energy: 1.229
local terms energy: -539.731014
where:
bonds (distance) C4'-P energy: -96.838
bonds (distance) P-C4' energy: -102.117
flat angles C4'-P-C4' energy: -126.931
flat angles P-C4'-P energy: -75.431
tors. eta vs tors. theta energy: -138.414
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: 225
Temperature: 0.950000
Total energy: -1823.216887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.216887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.216887 (E_RNA)
where:
Base-Base interactions energy: -1296.868
where: short stacking energy: -520.995
Base-Backbone interact. energy: -2.619
local terms energy: -523.729645
where:
bonds (distance) C4'-P energy: -93.906
bonds (distance) P-C4' energy: -110.787
flat angles C4'-P-C4' energy: -104.459
flat angles P-C4'-P energy: -75.262
tors. eta vs tors. theta energy: -139.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1675.201618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.201618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.201618 (E_RNA)
where:
Base-Base interactions energy: -1148.882
where: short stacking energy: -488.778
Base-Backbone interact. energy: -1.847
local terms energy: -524.472799
where:
bonds (distance) C4'-P energy: -105.655
bonds (distance) P-C4' energy: -111.928
flat angles C4'-P-C4' energy: -110.632
flat angles P-C4'-P energy: -75.332
tors. eta vs tors. theta energy: -120.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1589.426864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.426864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.426864 (E_RNA)
where:
Base-Base interactions energy: -1071.221
where: short stacking energy: -467.995
Base-Backbone interact. energy: -1.097
local terms energy: -517.108470
where:
bonds (distance) C4'-P energy: -107.588
bonds (distance) P-C4' energy: -101.413
flat angles C4'-P-C4' energy: -111.457
flat angles P-C4'-P energy: -74.535
tors. eta vs tors. theta energy: -122.116
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: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1516.548006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.548006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.548006 (E_RNA)
where:
Base-Base interactions energy: -1030.338
where: short stacking energy: -447.289
Base-Backbone interact. energy: -2.020
local terms energy: -484.189222
where:
bonds (distance) C4'-P energy: -96.725
bonds (distance) P-C4' energy: -83.616
flat angles C4'-P-C4' energy: -114.126
flat angles P-C4'-P energy: -76.765
tors. eta vs tors. theta energy: -112.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1402.161379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.161379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.161379 (E_RNA)
where:
Base-Base interactions energy: -960.292
where: short stacking energy: -397.520
Base-Backbone interact. energy: -2.834
local terms energy: -439.035010
where:
bonds (distance) C4'-P energy: -80.127
bonds (distance) P-C4' energy: -77.372
flat angles C4'-P-C4' energy: -110.474
flat angles P-C4'-P energy: -71.154
tors. eta vs tors. theta energy: -99.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1307.371054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.371054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.371054 (E_RNA)
where:
Base-Base interactions energy: -916.818
where: short stacking energy: -405.052
Base-Backbone interact. energy: 0.141
local terms energy: -390.694198
where:
bonds (distance) C4'-P energy: -63.741
bonds (distance) P-C4' energy: -81.936
flat angles C4'-P-C4' energy: -101.800
flat angles P-C4'-P energy: -51.281
tors. eta vs tors. theta energy: -91.937
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: 7
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1089.903583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.903583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.903583 (E_RNA)
where:
Base-Base interactions energy: -707.490
where: short stacking energy: -294.226
Base-Backbone interact. energy: -1.331
local terms energy: -381.082574
where:
bonds (distance) C4'-P energy: -84.190
bonds (distance) P-C4' energy: -91.077
flat angles C4'-P-C4' energy: -93.005
flat angles P-C4'-P energy: -50.438
tors. eta vs tors. theta energy: -62.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -715.149048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.149048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.149048 (E_RNA)
where:
Base-Base interactions energy: -369.483
where: short stacking energy: -183.545
Base-Backbone interact. energy: -2.194
local terms energy: -343.472052
where:
bonds (distance) C4'-P energy: -79.283
bonds (distance) P-C4' energy: -106.372
flat angles C4'-P-C4' energy: -89.182
flat angles P-C4'-P energy: -58.221
tors. eta vs tors. theta energy: -10.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -604.077960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.077960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.077960 (E_RNA)
where:
Base-Base interactions energy: -305.224
where: short stacking energy: -176.685
Base-Backbone interact. energy: -2.741
local terms energy: -296.112910
where:
bonds (distance) C4'-P energy: -79.611
bonds (distance) P-C4' energy: -79.984
flat angles C4'-P-C4' energy: -86.256
flat angles P-C4'-P energy: -39.960
tors. eta vs tors. theta energy: -10.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1827.433619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.433619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.433619 (E_RNA)
where:
Base-Base interactions energy: -1267.030
where: short stacking energy: -521.857
Base-Backbone interact. energy: -1.478
local terms energy: -558.926148
where:
bonds (distance) C4'-P energy: -101.825
bonds (distance) P-C4' energy: -99.709
flat angles C4'-P-C4' energy: -120.362
flat angles P-C4'-P energy: -88.749
tors. eta vs tors. theta energy: -148.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1853.475625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.475625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.475625 (E_RNA)
where:
Base-Base interactions energy: -1320.193
where: short stacking energy: -531.299
Base-Backbone interact. energy: 0.611
local terms energy: -533.893719
where:
bonds (distance) C4'-P energy: -102.255
bonds (distance) P-C4' energy: -93.259
flat angles C4'-P-C4' energy: -125.828
flat angles P-C4'-P energy: -70.714
tors. eta vs tors. theta energy: -141.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1657.593715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.593715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.593715 (E_RNA)
where:
Base-Base interactions energy: -1145.627
where: short stacking energy: -490.732
Base-Backbone interact. energy: -3.087
local terms energy: -508.878863
where:
bonds (distance) C4'-P energy: -80.766
bonds (distance) P-C4' energy: -102.737
flat angles C4'-P-C4' energy: -116.412
flat angles P-C4'-P energy: -73.709
tors. eta vs tors. theta energy: -135.255
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: 4
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1563.215780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.215780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.215780 (E_RNA)
where:
Base-Base interactions energy: -1080.926
where: short stacking energy: -456.698
Base-Backbone interact. energy: 0.001
local terms energy: -482.290228
where:
bonds (distance) C4'-P energy: -100.683
bonds (distance) P-C4' energy: -93.291
flat angles C4'-P-C4' energy: -100.536
flat angles P-C4'-P energy: -67.920
tors. eta vs tors. theta energy: -119.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1511.015271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.015271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.015271 (E_RNA)
where:
Base-Base interactions energy: -1056.470
where: short stacking energy: -442.256
Base-Backbone interact. energy: -0.264
local terms energy: -454.280954
where:
bonds (distance) C4'-P energy: -67.963
bonds (distance) P-C4' energy: -95.401
flat angles C4'-P-C4' energy: -97.829
flat angles P-C4'-P energy: -74.535
tors. eta vs tors. theta energy: -118.553
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: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1471.470341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.470341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.470341 (E_RNA)
where:
Base-Base interactions energy: -1005.553
where: short stacking energy: -432.637
Base-Backbone interact. energy: 0.001
local terms energy: -465.918066
where:
bonds (distance) C4'-P energy: -98.976
bonds (distance) P-C4' energy: -82.385
flat angles C4'-P-C4' energy: -105.250
flat angles P-C4'-P energy: -71.064
tors. eta vs tors. theta energy: -108.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1268.369417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.369417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.369417 (E_RNA)
where:
Base-Base interactions energy: -844.972
where: short stacking energy: -360.372
Base-Backbone interact. energy: 2.436
local terms energy: -425.833916
where:
bonds (distance) C4'-P energy: -97.670
bonds (distance) P-C4' energy: -87.329
flat angles C4'-P-C4' energy: -97.519
flat angles P-C4'-P energy: -65.613
tors. eta vs tors. theta energy: -77.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1066.725943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.725943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.725943 (E_RNA)
where:
Base-Base interactions energy: -695.173
where: short stacking energy: -300.955
Base-Backbone interact. energy: 0.320
local terms energy: -371.873050
where:
bonds (distance) C4'-P energy: -76.600
bonds (distance) P-C4' energy: -74.203
flat angles C4'-P-C4' energy: -104.435
flat angles P-C4'-P energy: -51.574
tors. eta vs tors. theta energy: -65.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -740.824531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.824531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.824531 (E_RNA)
where:
Base-Base interactions energy: -431.805
where: short stacking energy: -216.736
Base-Backbone interact. energy: 2.440
local terms energy: -311.459018
where:
bonds (distance) C4'-P energy: -87.156
bonds (distance) P-C4' energy: -78.341
flat angles C4'-P-C4' energy: -80.200
flat angles P-C4'-P energy: -36.288
tors. eta vs tors. theta energy: -29.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -554.421479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.421479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.421479 (E_RNA)
where:
Base-Base interactions energy: -253.883
where: short stacking energy: -151.302
Base-Backbone interact. energy: -0.649
local terms energy: -299.889465
where:
bonds (distance) C4'-P energy: -87.197
bonds (distance) P-C4' energy: -92.516
flat angles C4'-P-C4' energy: -65.450
flat angles P-C4'-P energy: -51.466
tors. eta vs tors. theta energy: -3.261
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: 227
Temperature: 0.900000
Total energy: -1799.610541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.610541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.610541 (E_RNA)
where:
Base-Base interactions energy: -1263.754
where: short stacking energy: -530.461
Base-Backbone interact. energy: -0.236
local terms energy: -535.620879
where:
bonds (distance) C4'-P energy: -106.640
bonds (distance) P-C4' energy: -110.176
flat angles C4'-P-C4' energy: -109.959
flat angles P-C4'-P energy: -66.331
tors. eta vs tors. theta energy: -142.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1860.899194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.899194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.899194 (E_RNA)
where:
Base-Base interactions energy: -1322.116
where: short stacking energy: -538.748
Base-Backbone interact. energy: 2.903
local terms energy: -541.685986
where:
bonds (distance) C4'-P energy: -107.445
bonds (distance) P-C4' energy: -109.702
flat angles C4'-P-C4' energy: -115.567
flat angles P-C4'-P energy: -67.495
tors. eta vs tors. theta energy: -141.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1675.485907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.485907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.485907 (E_RNA)
where:
Base-Base interactions energy: -1169.521
where: short stacking energy: -497.273
Base-Backbone interact. energy: 1.101
local terms energy: -507.065955
where:
bonds (distance) C4'-P energy: -99.438
bonds (distance) P-C4' energy: -87.474
flat angles C4'-P-C4' energy: -109.005
flat angles P-C4'-P energy: -76.342
tors. eta vs tors. theta energy: -134.806
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: 4, replica: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1557.685360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.685360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.685360 (E_RNA)
where:
Base-Base interactions energy: -1070.168
where: short stacking energy: -447.801
Base-Backbone interact. energy: -2.842
local terms energy: -484.674694
where:
bonds (distance) C4'-P energy: -106.048
bonds (distance) P-C4' energy: -99.825
flat angles C4'-P-C4' energy: -98.642
flat angles P-C4'-P energy: -72.300
tors. eta vs tors. theta energy: -107.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1516.889435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.889435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.889435 (E_RNA)
where:
Base-Base interactions energy: -1047.098
where: short stacking energy: -413.934
Base-Backbone interact. energy: -2.324
local terms energy: -467.467494
where:
bonds (distance) C4'-P energy: -99.000
bonds (distance) P-C4' energy: -91.199
flat angles C4'-P-C4' energy: -104.374
flat angles P-C4'-P energy: -62.076
tors. eta vs tors. theta energy: -110.818
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: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1501.557398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.557398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.557398 (E_RNA)
where:
Base-Base interactions energy: -1029.064
where: short stacking energy: -428.366
Base-Backbone interact. energy: -4.770
local terms energy: -467.723071
where:
bonds (distance) C4'-P energy: -88.493
bonds (distance) P-C4' energy: -91.400
flat angles C4'-P-C4' energy: -99.198
flat angles P-C4'-P energy: -67.589
tors. eta vs tors. theta energy: -121.043
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: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1233.579680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.579680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.579680 (E_RNA)
where:
Base-Base interactions energy: -833.205
where: short stacking energy: -358.882
Base-Backbone interact. energy: -2.570
local terms energy: -397.804665
where:
bonds (distance) C4'-P energy: -77.655
bonds (distance) P-C4' energy: -96.737
flat angles C4'-P-C4' energy: -87.272
flat angles P-C4'-P energy: -56.485
tors. eta vs tors. theta energy: -79.656
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: 227
Temperature: 1.250000
Total energy: -1046.855657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.855657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.855657 (E_RNA)
where:
Base-Base interactions energy: -641.714
where: short stacking energy: -276.843
Base-Backbone interact. energy: -2.217
local terms energy: -402.924078
where:
bonds (distance) C4'-P energy: -80.571
bonds (distance) P-C4' energy: -100.313
flat angles C4'-P-C4' energy: -110.355
flat angles P-C4'-P energy: -59.273
tors. eta vs tors. theta energy: -52.413
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: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -741.708472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.708472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.708472 (E_RNA)
where:
Base-Base interactions energy: -433.605
where: short stacking energy: -191.164
Base-Backbone interact. energy: 1.882
local terms energy: -309.985964
where:
bonds (distance) C4'-P energy: -91.812
bonds (distance) P-C4' energy: -97.042
flat angles C4'-P-C4' energy: -75.063
flat angles P-C4'-P energy: -40.271
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -588.541273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.541273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.541273 (E_RNA)
where:
Base-Base interactions energy: -289.221
where: short stacking energy: -182.329
Base-Backbone interact. energy: -0.749
local terms energy: -298.571320
where:
bonds (distance) C4'-P energy: -78.901
bonds (distance) P-C4' energy: -89.393
flat angles C4'-P-C4' energy: -64.497
flat angles P-C4'-P energy: -51.725
tors. eta vs tors. theta energy: -14.056
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: 228
Temperature: 0.900000
Total energy: -1886.225915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.225915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.225915 (E_RNA)
where:
Base-Base interactions energy: -1356.306
where: short stacking energy: -563.970
Base-Backbone interact. energy: -2.182
local terms energy: -527.737452
where:
bonds (distance) C4'-P energy: -98.418
bonds (distance) P-C4' energy: -102.075
flat angles C4'-P-C4' energy: -117.362
flat angles P-C4'-P energy: -68.118
tors. eta vs tors. theta energy: -141.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1831.200942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.200942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.200942 (E_RNA)
where:
Base-Base interactions energy: -1288.493
where: short stacking energy: -527.437
Base-Backbone interact. energy: -1.883
local terms energy: -540.825007
where:
bonds (distance) C4'-P energy: -99.643
bonds (distance) P-C4' energy: -102.227
flat angles C4'-P-C4' energy: -112.880
flat angles P-C4'-P energy: -81.073
tors. eta vs tors. theta energy: -145.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1689.926617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.926617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.926617 (E_RNA)
where:
Base-Base interactions energy: -1183.471
where: short stacking energy: -504.528
Base-Backbone interact. energy: -1.224
local terms energy: -505.231693
where:
bonds (distance) C4'-P energy: -90.033
bonds (distance) P-C4' energy: -91.258
flat angles C4'-P-C4' energy: -103.240
flat angles P-C4'-P energy: -75.183
tors. eta vs tors. theta energy: -145.519
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: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1569.155957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.155957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.155957 (E_RNA)
where:
Base-Base interactions energy: -1071.911
where: short stacking energy: -465.854
Base-Backbone interact. energy: -2.310
local terms energy: -494.935140
where:
bonds (distance) C4'-P energy: -90.989
bonds (distance) P-C4' energy: -95.105
flat angles C4'-P-C4' energy: -117.652
flat angles P-C4'-P energy: -67.479
tors. eta vs tors. theta energy: -123.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1517.709834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.709834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.709834 (E_RNA)
where:
Base-Base interactions energy: -1035.377
where: short stacking energy: -427.147
Base-Backbone interact. energy: -2.603
local terms energy: -479.730177
where:
bonds (distance) C4'-P energy: -90.119
bonds (distance) P-C4' energy: -100.896
flat angles C4'-P-C4' energy: -101.451
flat angles P-C4'-P energy: -71.356
tors. eta vs tors. theta energy: -115.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1438.472009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.472009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.472009 (E_RNA)
where:
Base-Base interactions energy: -994.492
where: short stacking energy: -425.730
Base-Backbone interact. energy: 1.491
local terms energy: -445.471409
where:
bonds (distance) C4'-P energy: -81.929
bonds (distance) P-C4' energy: -97.033
flat angles C4'-P-C4' energy: -106.815
flat angles P-C4'-P energy: -55.566
tors. eta vs tors. theta energy: -104.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1257.382896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.382896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.382896 (E_RNA)
where:
Base-Base interactions energy: -848.005
where: short stacking energy: -359.670
Base-Backbone interact. energy: 1.887
local terms energy: -411.264471
where:
bonds (distance) C4'-P energy: -90.191
bonds (distance) P-C4' energy: -73.579
flat angles C4'-P-C4' energy: -98.814
flat angles P-C4'-P energy: -52.828
tors. eta vs tors. theta energy: -95.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1030.094203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.094203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.094203 (E_RNA)
where:
Base-Base interactions energy: -654.050
where: short stacking energy: -291.417
Base-Backbone interact. energy: -1.421
local terms energy: -374.623800
where:
bonds (distance) C4'-P energy: -85.240
bonds (distance) P-C4' energy: -90.259
flat angles C4'-P-C4' energy: -93.194
flat angles P-C4'-P energy: -53.335
tors. eta vs tors. theta energy: -52.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -892.294434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.294434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.294434 (E_RNA)
where:
Base-Base interactions energy: -556.099
where: short stacking energy: -277.660
Base-Backbone interact. energy: 4.033
local terms energy: -340.228072
where:
bonds (distance) C4'-P energy: -87.906
bonds (distance) P-C4' energy: -75.319
flat angles C4'-P-C4' energy: -80.937
flat angles P-C4'-P energy: -56.319
tors. eta vs tors. theta energy: -39.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -590.782384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.782384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.782384 (E_RNA)
where:
Base-Base interactions energy: -297.894
where: short stacking energy: -171.706
Base-Backbone interact. energy: 12.182
local terms energy: -305.069918
where:
bonds (distance) C4'-P energy: -87.926
bonds (distance) P-C4' energy: -88.456
flat angles C4'-P-C4' energy: -76.706
flat angles P-C4'-P energy: -47.579
tors. eta vs tors. theta energy: -4.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1906.575998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.575998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.575998 (E_RNA)
where:
Base-Base interactions energy: -1351.374
where: short stacking energy: -540.581
Base-Backbone interact. energy: -1.826
local terms energy: -553.375895
where:
bonds (distance) C4'-P energy: -113.831
bonds (distance) P-C4' energy: -91.642
flat angles C4'-P-C4' energy: -119.106
flat angles P-C4'-P energy: -81.898
tors. eta vs tors. theta energy: -146.898
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: 229
Temperature: 0.950000
Total energy: -1789.789293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.789293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.789293 (E_RNA)
where:
Base-Base interactions energy: -1253.837
where: short stacking energy: -527.571
Base-Backbone interact. energy: 0.602
local terms energy: -536.553956
where:
bonds (distance) C4'-P energy: -100.974
bonds (distance) P-C4' energy: -99.672
flat angles C4'-P-C4' energy: -108.638
flat angles P-C4'-P energy: -84.408
tors. eta vs tors. theta energy: -142.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1680.349971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.349971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.349971 (E_RNA)
where:
Base-Base interactions energy: -1174.762
where: short stacking energy: -484.271
Base-Backbone interact. energy: -1.546
local terms energy: -504.042182
where:
bonds (distance) C4'-P energy: -89.220
bonds (distance) P-C4' energy: -102.873
flat angles C4'-P-C4' energy: -113.279
flat angles P-C4'-P energy: -82.561
tors. eta vs tors. theta energy: -116.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1578.477205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.477205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.477205 (E_RNA)
where:
Base-Base interactions energy: -1077.102
where: short stacking energy: -459.663
Base-Backbone interact. energy: -0.017
local terms energy: -501.358021
where:
bonds (distance) C4'-P energy: -101.764
bonds (distance) P-C4' energy: -92.077
flat angles C4'-P-C4' energy: -115.900
flat angles P-C4'-P energy: -70.216
tors. eta vs tors. theta energy: -121.401
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: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1560.404619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.404619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.404619 (E_RNA)
where:
Base-Base interactions energy: -1063.806
where: short stacking energy: -463.339
Base-Backbone interact. energy: 2.661
local terms energy: -499.259196
where:
bonds (distance) C4'-P energy: -95.570
bonds (distance) P-C4' energy: -93.203
flat angles C4'-P-C4' energy: -120.463
flat angles P-C4'-P energy: -57.352
tors. eta vs tors. theta energy: -132.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1471.709573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.709573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.709573 (E_RNA)
where:
Base-Base interactions energy: -1023.040
where: short stacking energy: -433.652
Base-Backbone interact. energy: -0.763
local terms energy: -447.906995
where:
bonds (distance) C4'-P energy: -99.204
bonds (distance) P-C4' energy: -79.681
flat angles C4'-P-C4' energy: -100.587
flat angles P-C4'-P energy: -68.098
tors. eta vs tors. theta energy: -100.337
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: 8
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1289.695889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.695889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.695889 (E_RNA)
where:
Base-Base interactions energy: -849.966
where: short stacking energy: -389.540
Base-Backbone interact. energy: -1.197
local terms energy: -438.533100
where:
bonds (distance) C4'-P energy: -90.234
bonds (distance) P-C4' energy: -87.359
flat angles C4'-P-C4' energy: -97.396
flat angles P-C4'-P energy: -68.082
tors. eta vs tors. theta energy: -95.463
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: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1093.030042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.030042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.030042 (E_RNA)
where:
Base-Base interactions energy: -718.149
where: short stacking energy: -304.902
Base-Backbone interact. energy: 2.288
local terms energy: -377.169301
where:
bonds (distance) C4'-P energy: -83.655
bonds (distance) P-C4' energy: -88.320
flat angles C4'-P-C4' energy: -86.428
flat angles P-C4'-P energy: -61.901
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: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -844.809443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.809443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.809443 (E_RNA)
where:
Base-Base interactions energy: -534.204
where: short stacking energy: -240.799
Base-Backbone interact. energy: 4.248
local terms energy: -314.853223
where:
bonds (distance) C4'-P energy: -76.924
bonds (distance) P-C4' energy: -89.670
flat angles C4'-P-C4' energy: -69.789
flat angles P-C4'-P energy: -61.835
tors. eta vs tors. theta energy: -16.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -580.094223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.094223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.094223 (E_RNA)
where:
Base-Base interactions energy: -283.787
where: short stacking energy: -171.113
Base-Backbone interact. energy: 2.153
local terms energy: -298.459784
where:
bonds (distance) C4'-P energy: -81.029
bonds (distance) P-C4' energy: -99.172
flat angles C4'-P-C4' energy: -68.882
flat angles P-C4'-P energy: -50.485
tors. eta vs tors. theta energy: 1.109
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: 230
Temperature: 0.900000
Total energy: -1893.291019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.291019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.291019 (E_RNA)
where:
Base-Base interactions energy: -1357.784
where: short stacking energy: -529.592
Base-Backbone interact. energy: -2.585
local terms energy: -532.922501
where:
bonds (distance) C4'-P energy: -108.255
bonds (distance) P-C4' energy: -96.467
flat angles C4'-P-C4' energy: -126.155
flat angles P-C4'-P energy: -70.408
tors. eta vs tors. theta energy: -131.638
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: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1793.892857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.892857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.892857 (E_RNA)
where:
Base-Base interactions energy: -1266.300
where: short stacking energy: -538.701
Base-Backbone interact. energy: -0.227
local terms energy: -527.365892
where:
bonds (distance) C4'-P energy: -92.607
bonds (distance) P-C4' energy: -109.634
flat angles C4'-P-C4' energy: -108.290
flat angles P-C4'-P energy: -69.098
tors. eta vs tors. theta energy: -147.737
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: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1672.842740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.842740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.842740 (E_RNA)
where:
Base-Base interactions energy: -1138.216
where: short stacking energy: -478.626
Base-Backbone interact. energy: -1.849
local terms energy: -532.778247
where:
bonds (distance) C4'-P energy: -99.494
bonds (distance) P-C4' energy: -109.545
flat angles C4'-P-C4' energy: -124.391
flat angles P-C4'-P energy: -71.642
tors. eta vs tors. theta energy: -127.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1637.771686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.771686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.771686 (E_RNA)
where:
Base-Base interactions energy: -1150.928
where: short stacking energy: -484.680
Base-Backbone interact. energy: 1.425
local terms energy: -488.268516
where:
bonds (distance) C4'-P energy: -106.246
bonds (distance) P-C4' energy: -75.398
flat angles C4'-P-C4' energy: -111.574
flat angles P-C4'-P energy: -62.509
tors. eta vs tors. theta energy: -132.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1538.185463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.185463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.185463 (E_RNA)
where:
Base-Base interactions energy: -1036.458
where: short stacking energy: -460.283
Base-Backbone interact. energy: -0.041
local terms energy: -501.685799
where:
bonds (distance) C4'-P energy: -89.363
bonds (distance) P-C4' energy: -106.559
flat angles C4'-P-C4' energy: -105.348
flat angles P-C4'-P energy: -75.522
tors. eta vs tors. theta energy: -124.894
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: 4
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1466.920316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.920316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.920316 (E_RNA)
where:
Base-Base interactions energy: -1019.405
where: short stacking energy: -446.142
Base-Backbone interact. energy: 0.148
local terms energy: -447.663187
where:
bonds (distance) C4'-P energy: -83.206
bonds (distance) P-C4' energy: -83.731
flat angles C4'-P-C4' energy: -103.095
flat angles P-C4'-P energy: -55.045
tors. eta vs tors. theta energy: -122.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1284.871709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.871709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.871709 (E_RNA)
where:
Base-Base interactions energy: -849.925
where: short stacking energy: -386.770
Base-Backbone interact. energy: -1.735
local terms energy: -433.210937
where:
bonds (distance) C4'-P energy: -88.561
bonds (distance) P-C4' energy: -82.241
flat angles C4'-P-C4' energy: -101.867
flat angles P-C4'-P energy: -62.901
tors. eta vs tors. theta energy: -97.641
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: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1022.863366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.863366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.863366 (E_RNA)
where:
Base-Base interactions energy: -638.254
where: short stacking energy: -284.853
Base-Backbone interact. energy: -0.528
local terms energy: -384.080740
where:
bonds (distance) C4'-P energy: -96.812
bonds (distance) P-C4' energy: -88.196
flat angles C4'-P-C4' energy: -83.702
flat angles P-C4'-P energy: -54.804
tors. eta vs tors. theta energy: -60.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -810.491643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.491643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.491643 (E_RNA)
where:
Base-Base interactions energy: -504.045
where: short stacking energy: -228.096
Base-Backbone interact. energy: -0.121
local terms energy: -306.325468
where:
bonds (distance) C4'-P energy: -72.287
bonds (distance) P-C4' energy: -93.134
flat angles C4'-P-C4' energy: -70.999
flat angles P-C4'-P energy: -45.447
tors. eta vs tors. theta energy: -24.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -596.102051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.102051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.102051 (E_RNA)
where:
Base-Base interactions energy: -314.095
where: short stacking energy: -180.084
Base-Backbone interact. energy: -0.011
local terms energy: -281.995768
where:
bonds (distance) C4'-P energy: -75.874
bonds (distance) P-C4' energy: -79.089
flat angles C4'-P-C4' energy: -73.891
flat angles P-C4'-P energy: -51.158
tors. eta vs tors. theta energy: -1.984
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: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1907.775139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.775139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.775139 (E_RNA)
where:
Base-Base interactions energy: -1371.444
where: short stacking energy: -524.568
Base-Backbone interact. energy: 0.489
local terms energy: -536.820275
where:
bonds (distance) C4'-P energy: -112.005
bonds (distance) P-C4' energy: -97.786
flat angles C4'-P-C4' energy: -113.007
flat angles P-C4'-P energy: -77.881
tors. eta vs tors. theta energy: -136.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1785.029144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.029144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.029144 (E_RNA)
where:
Base-Base interactions energy: -1240.765
where: short stacking energy: -508.786
Base-Backbone interact. energy: -4.497
local terms energy: -539.766897
where:
bonds (distance) C4'-P energy: -104.753
bonds (distance) P-C4' energy: -100.019
flat angles C4'-P-C4' energy: -118.261
flat angles P-C4'-P energy: -77.025
tors. eta vs tors. theta energy: -139.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1675.595678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.595678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.595678 (E_RNA)
where:
Base-Base interactions energy: -1155.359
where: short stacking energy: -502.903
Base-Backbone interact. energy: 1.364
local terms energy: -521.600900
where:
bonds (distance) C4'-P energy: -94.085
bonds (distance) P-C4' energy: -97.313
flat angles C4'-P-C4' energy: -126.140
flat angles P-C4'-P energy: -79.544
tors. eta vs tors. theta energy: -124.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1624.273951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.273951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.273951 (E_RNA)
where:
Base-Base interactions energy: -1100.290
where: short stacking energy: -482.074
Base-Backbone interact. energy: -1.246
local terms energy: -522.737427
where:
bonds (distance) C4'-P energy: -88.814
bonds (distance) P-C4' energy: -111.477
flat angles C4'-P-C4' energy: -113.289
flat angles P-C4'-P energy: -66.066
tors. eta vs tors. theta energy: -143.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1516.418067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.418067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.418067 (E_RNA)
where:
Base-Base interactions energy: -1069.809
where: short stacking energy: -445.009
Base-Backbone interact. energy: -0.979
local terms energy: -445.629164
where:
bonds (distance) C4'-P energy: -80.958
bonds (distance) P-C4' energy: -90.032
flat angles C4'-P-C4' energy: -96.902
flat angles P-C4'-P energy: -65.762
tors. eta vs tors. theta energy: -111.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1477.455769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.455769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.455769 (E_RNA)
where:
Base-Base interactions energy: -1024.784
where: short stacking energy: -451.710
Base-Backbone interact. energy: -1.639
local terms energy: -451.032938
where:
bonds (distance) C4'-P energy: -88.310
bonds (distance) P-C4' energy: -87.947
flat angles C4'-P-C4' energy: -109.866
flat angles P-C4'-P energy: -64.423
tors. eta vs tors. theta energy: -100.487
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: 8
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1298.981264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.981264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.981264 (E_RNA)
where:
Base-Base interactions energy: -870.775
where: short stacking energy: -378.088
Base-Backbone interact. energy: -1.756
local terms energy: -426.450456
where:
bonds (distance) C4'-P energy: -96.822
bonds (distance) P-C4' energy: -105.531
flat angles C4'-P-C4' energy: -88.408
flat angles P-C4'-P energy: -53.161
tors. eta vs tors. theta energy: -82.528
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: 7
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1076.604889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.604889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.604889 (E_RNA)
where:
Base-Base interactions energy: -708.520
where: short stacking energy: -320.848
Base-Backbone interact. energy: 2.168
local terms energy: -370.252563
where:
bonds (distance) C4'-P energy: -77.680
bonds (distance) P-C4' energy: -75.133
flat angles C4'-P-C4' energy: -98.890
flat angles P-C4'-P energy: -54.550
tors. eta vs tors. theta energy: -64.000
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: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -792.645527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.645527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.645527 (E_RNA)
where:
Base-Base interactions energy: -453.496
where: short stacking energy: -211.792
Base-Backbone interact. energy: 1.731
local terms energy: -340.880073
where:
bonds (distance) C4'-P energy: -91.006
bonds (distance) P-C4' energy: -85.354
flat angles C4'-P-C4' energy: -91.899
flat angles P-C4'-P energy: -40.781
tors. eta vs tors. theta energy: -31.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -607.001593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.001593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.001593 (E_RNA)
where:
Base-Base interactions energy: -323.472
where: short stacking energy: -179.195
Base-Backbone interact. energy: -1.752
local terms energy: -281.777538
where:
bonds (distance) C4'-P energy: -73.519
bonds (distance) P-C4' energy: -93.912
flat angles C4'-P-C4' energy: -68.203
flat angles P-C4'-P energy: -37.392
tors. eta vs tors. theta energy: -8.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1903.225159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.225159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.225159 (E_RNA)
where:
Base-Base interactions energy: -1353.231
where: short stacking energy: -514.505
Base-Backbone interact. energy: -0.565
local terms energy: -549.429619
where:
bonds (distance) C4'-P energy: -102.620
bonds (distance) P-C4' energy: -101.546
flat angles C4'-P-C4' energy: -114.543
flat angles P-C4'-P energy: -80.656
tors. eta vs tors. theta energy: -150.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1748.873414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.873414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.873414 (E_RNA)
where:
Base-Base interactions energy: -1216.328
where: short stacking energy: -497.787
Base-Backbone interact. energy: -0.863
local terms energy: -531.682123
where:
bonds (distance) C4'-P energy: -96.782
bonds (distance) P-C4' energy: -101.782
flat angles C4'-P-C4' energy: -116.187
flat angles P-C4'-P energy: -79.225
tors. eta vs tors. theta energy: -137.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1654.504707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.504707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.504707 (E_RNA)
where:
Base-Base interactions energy: -1142.771
where: short stacking energy: -492.129
Base-Backbone interact. energy: 6.650
local terms energy: -518.383660
where:
bonds (distance) C4'-P energy: -90.720
bonds (distance) P-C4' energy: -96.755
flat angles C4'-P-C4' energy: -123.868
flat angles P-C4'-P energy: -83.107
tors. eta vs tors. theta energy: -123.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1609.532311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.532311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.532311 (E_RNA)
where:
Base-Base interactions energy: -1087.600
where: short stacking energy: -448.072
Base-Backbone interact. energy: -1.123
local terms energy: -520.809248
where:
bonds (distance) C4'-P energy: -89.864
bonds (distance) P-C4' energy: -97.391
flat angles C4'-P-C4' energy: -122.281
flat angles P-C4'-P energy: -85.370
tors. eta vs tors. theta energy: -125.904
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: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1553.306741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.306741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.306741 (E_RNA)
where:
Base-Base interactions energy: -1068.128
where: short stacking energy: -435.323
Base-Backbone interact. energy: -4.234
local terms energy: -480.944972
where:
bonds (distance) C4'-P energy: -97.191
bonds (distance) P-C4' energy: -97.617
flat angles C4'-P-C4' energy: -114.456
flat angles P-C4'-P energy: -56.393
tors. eta vs tors. theta energy: -115.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1489.910552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.910552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.910552 (E_RNA)
where:
Base-Base interactions energy: -1017.414
where: short stacking energy: -441.086
Base-Backbone interact. energy: 4.069
local terms energy: -476.566200
where:
bonds (distance) C4'-P energy: -97.584
bonds (distance) P-C4' energy: -84.925
flat angles C4'-P-C4' energy: -110.980
flat angles P-C4'-P energy: -68.841
tors. eta vs tors. theta energy: -114.236
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: 8
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1317.535589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.535589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.535589 (E_RNA)
where:
Base-Base interactions energy: -892.283
where: short stacking energy: -404.017
Base-Backbone interact. energy: -1.968
local terms energy: -423.284071
where:
bonds (distance) C4'-P energy: -89.740
bonds (distance) P-C4' energy: -88.557
flat angles C4'-P-C4' energy: -92.009
flat angles P-C4'-P energy: -55.114
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: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1098.914946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.914946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.914946 (E_RNA)
where:
Base-Base interactions energy: -690.607
where: short stacking energy: -324.199
Base-Backbone interact. energy: -1.929
local terms energy: -406.378537
where:
bonds (distance) C4'-P energy: -90.646
bonds (distance) P-C4' energy: -88.181
flat angles C4'-P-C4' energy: -88.237
flat angles P-C4'-P energy: -71.307
tors. eta vs tors. theta energy: -68.007
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: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -763.218238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.218238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.218238 (E_RNA)
where:
Base-Base interactions energy: -450.228
where: short stacking energy: -231.950
Base-Backbone interact. energy: -0.801
local terms energy: -312.189945
where:
bonds (distance) C4'-P energy: -80.328
bonds (distance) P-C4' energy: -99.370
flat angles C4'-P-C4' energy: -77.088
flat angles P-C4'-P energy: -41.404
tors. eta vs tors. theta energy: -14.001
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: 232
Temperature: 1.350000
Total energy: -561.159462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.159462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.159462 (E_RNA)
where:
Base-Base interactions energy: -274.387
where: short stacking energy: -128.408
Base-Backbone interact. energy: -1.555
local terms energy: -285.217463
where:
bonds (distance) C4'-P energy: -87.213
bonds (distance) P-C4' energy: -89.083
flat angles C4'-P-C4' energy: -77.608
flat angles P-C4'-P energy: -40.215
tors. eta vs tors. theta energy: 8.902
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: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1921.578516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.578516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.578516 (E_RNA)
where:
Base-Base interactions energy: -1353.828
where: short stacking energy: -539.341
Base-Backbone interact. energy: -1.729
local terms energy: -566.021679
where:
bonds (distance) C4'-P energy: -109.577
bonds (distance) P-C4' energy: -112.146
flat angles C4'-P-C4' energy: -127.867
flat angles P-C4'-P energy: -72.530
tors. eta vs tors. theta energy: -143.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1792.632563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.632563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.632563 (E_RNA)
where:
Base-Base interactions energy: -1239.802
where: short stacking energy: -533.237
Base-Backbone interact. energy: -4.098
local terms energy: -548.732414
where:
bonds (distance) C4'-P energy: -108.848
bonds (distance) P-C4' energy: -91.438
flat angles C4'-P-C4' energy: -123.971
flat angles P-C4'-P energy: -78.870
tors. eta vs tors. theta energy: -145.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1674.464178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.464178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.464178 (E_RNA)
where:
Base-Base interactions energy: -1158.896
where: short stacking energy: -493.338
Base-Backbone interact. energy: -1.759
local terms energy: -513.808808
where:
bonds (distance) C4'-P energy: -89.158
bonds (distance) P-C4' energy: -93.621
flat angles C4'-P-C4' energy: -108.066
flat angles P-C4'-P energy: -91.215
tors. eta vs tors. theta energy: -131.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1622.847300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.847300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.847300 (E_RNA)
where:
Base-Base interactions energy: -1114.422
where: short stacking energy: -484.610
Base-Backbone interact. energy: -1.258
local terms energy: -507.167233
where:
bonds (distance) C4'-P energy: -100.138
bonds (distance) P-C4' energy: -89.789
flat angles C4'-P-C4' energy: -108.728
flat angles P-C4'-P energy: -73.756
tors. eta vs tors. theta energy: -134.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1578.245461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.245461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.245461 (E_RNA)
where:
Base-Base interactions energy: -1067.510
where: short stacking energy: -466.125
Base-Backbone interact. energy: -0.605
local terms energy: -510.130205
where:
bonds (distance) C4'-P energy: -101.377
bonds (distance) P-C4' energy: -92.422
flat angles C4'-P-C4' energy: -112.811
flat angles P-C4'-P energy: -76.049
tors. eta vs tors. theta energy: -127.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1454.940807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.940807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.940807 (E_RNA)
where:
Base-Base interactions energy: -1006.499
where: short stacking energy: -438.138
Base-Backbone interact. energy: -0.375
local terms energy: -448.065842
where:
bonds (distance) C4'-P energy: -87.989
bonds (distance) P-C4' energy: -93.694
flat angles C4'-P-C4' energy: -102.085
flat angles P-C4'-P energy: -59.189
tors. eta vs tors. theta energy: -105.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1340.950381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.950381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.950381 (E_RNA)
where:
Base-Base interactions energy: -894.461
where: short stacking energy: -388.086
Base-Backbone interact. energy: -2.549
local terms energy: -443.939718
where:
bonds (distance) C4'-P energy: -78.991
bonds (distance) P-C4' energy: -89.161
flat angles C4'-P-C4' energy: -105.242
flat angles P-C4'-P energy: -64.992
tors. eta vs tors. theta energy: -105.554
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: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1061.662460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.662460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.662460 (E_RNA)
where:
Base-Base interactions energy: -691.462
where: short stacking energy: -293.147
Base-Backbone interact. energy: -1.911
local terms energy: -368.289423
where:
bonds (distance) C4'-P energy: -92.867
bonds (distance) P-C4' energy: -90.833
flat angles C4'-P-C4' energy: -85.358
flat angles P-C4'-P energy: -44.994
tors. eta vs tors. theta energy: -54.238
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: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -778.636994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.636994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.636994 (E_RNA)
where:
Base-Base interactions energy: -470.354
where: short stacking energy: -228.867
Base-Backbone interact. energy: -0.505
local terms energy: -307.777502
where:
bonds (distance) C4'-P energy: -89.644
bonds (distance) P-C4' energy: -92.716
flat angles C4'-P-C4' energy: -70.858
flat angles P-C4'-P energy: -33.646
tors. eta vs tors. theta energy: -20.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -549.000767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.000767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.000767 (E_RNA)
where:
Base-Base interactions energy: -298.532
where: short stacking energy: -149.702
Base-Backbone interact. energy: 7.792
local terms energy: -258.260588
where:
bonds (distance) C4'-P energy: -85.450
bonds (distance) P-C4' energy: -91.577
flat angles C4'-P-C4' energy: -60.064
flat angles P-C4'-P energy: -38.700
tors. eta vs tors. theta energy: 17.530
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: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1881.314967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.314967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.314967 (E_RNA)
where:
Base-Base interactions energy: -1338.695
where: short stacking energy: -528.415
Base-Backbone interact. energy: 0.852
local terms energy: -543.472738
where:
bonds (distance) C4'-P energy: -113.084
bonds (distance) P-C4' energy: -105.470
flat angles C4'-P-C4' energy: -113.652
flat angles P-C4'-P energy: -76.611
tors. eta vs tors. theta energy: -134.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1803.881656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.881656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.881656 (E_RNA)
where:
Base-Base interactions energy: -1284.104
where: short stacking energy: -541.921
Base-Backbone interact. energy: 0.045
local terms energy: -519.822141
where:
bonds (distance) C4'-P energy: -88.696
bonds (distance) P-C4' energy: -93.499
flat angles C4'-P-C4' energy: -116.774
flat angles P-C4'-P energy: -74.341
tors. eta vs tors. theta energy: -146.512
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: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1688.172161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.172161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.172161 (E_RNA)
where:
Base-Base interactions energy: -1192.286
where: short stacking energy: -499.380
Base-Backbone interact. energy: -1.513
local terms energy: -494.372868
where:
bonds (distance) C4'-P energy: -87.548
bonds (distance) P-C4' energy: -91.693
flat angles C4'-P-C4' energy: -111.074
flat angles P-C4'-P energy: -66.508
tors. eta vs tors. theta energy: -137.550
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: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1598.712423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.712423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.712423 (E_RNA)
where:
Base-Base interactions energy: -1130.644
where: short stacking energy: -468.695
Base-Backbone interact. energy: -3.060
local terms energy: -465.008552
where:
bonds (distance) C4'-P energy: -81.633
bonds (distance) P-C4' energy: -87.706
flat angles C4'-P-C4' energy: -103.108
flat angles P-C4'-P energy: -69.716
tors. eta vs tors. theta energy: -122.846
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: 6
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1567.052663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.052663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.052663 (E_RNA)
where:
Base-Base interactions energy: -1081.700
where: short stacking energy: -444.477
Base-Backbone interact. energy: -0.414
local terms energy: -484.939423
where:
bonds (distance) C4'-P energy: -95.107
bonds (distance) P-C4' energy: -92.782
flat angles C4'-P-C4' energy: -106.191
flat angles P-C4'-P energy: -69.026
tors. eta vs tors. theta energy: -121.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1492.001771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.001771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.001771 (E_RNA)
where:
Base-Base interactions energy: -1015.568
where: short stacking energy: -427.304
Base-Backbone interact. energy: -1.930
local terms energy: -474.502856
where:
bonds (distance) C4'-P energy: -87.904
bonds (distance) P-C4' energy: -98.955
flat angles C4'-P-C4' energy: -109.347
flat angles P-C4'-P energy: -69.117
tors. eta vs tors. theta energy: -109.181
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: 7, replica: 8
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1297.772121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.772121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.772121 (E_RNA)
where:
Base-Base interactions energy: -872.604
where: short stacking energy: -384.544
Base-Backbone interact. energy: -0.957
local terms energy: -424.210936
where:
bonds (distance) C4'-P energy: -80.010
bonds (distance) P-C4' energy: -96.506
flat angles C4'-P-C4' energy: -84.849
flat angles P-C4'-P energy: -63.217
tors. eta vs tors. theta energy: -99.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1039.189207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.189207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.189207 (E_RNA)
where:
Base-Base interactions energy: -677.037
where: short stacking energy: -307.905
Base-Backbone interact. energy: 2.302
local terms energy: -364.454925
where:
bonds (distance) C4'-P energy: -96.784
bonds (distance) P-C4' energy: -81.691
flat angles C4'-P-C4' energy: -75.973
flat angles P-C4'-P energy: -52.051
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: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -761.255178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.255178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.255178 (E_RNA)
where:
Base-Base interactions energy: -408.676
where: short stacking energy: -208.361
Base-Backbone interact. energy: -1.631
local terms energy: -350.948358
where:
bonds (distance) C4'-P energy: -99.984
bonds (distance) P-C4' energy: -80.545
flat angles C4'-P-C4' energy: -87.607
flat angles P-C4'-P energy: -58.824
tors. eta vs tors. theta energy: -23.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -626.242832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.242832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.242832 (E_RNA)
where:
Base-Base interactions energy: -323.575
where: short stacking energy: -167.841
Base-Backbone interact. energy: -0.648
local terms energy: -302.020075
where:
bonds (distance) C4'-P energy: -85.882
bonds (distance) P-C4' energy: -90.480
flat angles C4'-P-C4' energy: -67.032
flat angles P-C4'-P energy: -51.602
tors. eta vs tors. theta energy: -7.023
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: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1879.026869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.026869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.026869 (E_RNA)
where:
Base-Base interactions energy: -1344.572
where: short stacking energy: -518.523
Base-Backbone interact. energy: -4.343
local terms energy: -530.111978
where:
bonds (distance) C4'-P energy: -96.843
bonds (distance) P-C4' energy: -113.790
flat angles C4'-P-C4' energy: -116.995
flat angles P-C4'-P energy: -63.955
tors. eta vs tors. theta energy: -138.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1812.870330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.870330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.870330 (E_RNA)
where:
Base-Base interactions energy: -1252.161
where: short stacking energy: -523.141
Base-Backbone interact. energy: -1.995
local terms energy: -558.714135
where:
bonds (distance) C4'-P energy: -100.603
bonds (distance) P-C4' energy: -113.848
flat angles C4'-P-C4' energy: -121.863
flat angles P-C4'-P energy: -77.704
tors. eta vs tors. theta energy: -144.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1702.652947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.652947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.652947 (E_RNA)
where:
Base-Base interactions energy: -1173.253
where: short stacking energy: -491.603
Base-Backbone interact. energy: 0.349
local terms energy: -529.749550
where:
bonds (distance) C4'-P energy: -106.708
bonds (distance) P-C4' energy: -100.070
flat angles C4'-P-C4' energy: -111.010
flat angles P-C4'-P energy: -73.564
tors. eta vs tors. theta energy: -138.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1631.845744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.845744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.845744 (E_RNA)
where:
Base-Base interactions energy: -1131.561
where: short stacking energy: -493.120
Base-Backbone interact. energy: -1.971
local terms energy: -498.313375
where:
bonds (distance) C4'-P energy: -79.956
bonds (distance) P-C4' energy: -101.846
flat angles C4'-P-C4' energy: -110.757
flat angles P-C4'-P energy: -67.114
tors. eta vs tors. theta energy: -138.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1556.138570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.138570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.138570 (E_RNA)
where:
Base-Base interactions energy: -1090.552
where: short stacking energy: -465.914
Base-Backbone interact. energy: -2.819
local terms energy: -462.768222
where:
bonds (distance) C4'-P energy: -75.162
bonds (distance) P-C4' energy: -86.929
flat angles C4'-P-C4' energy: -107.986
flat angles P-C4'-P energy: -65.797
tors. eta vs tors. theta energy: -126.894
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: 4
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1481.721309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.721309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.721309 (E_RNA)
where:
Base-Base interactions energy: -1009.963
where: short stacking energy: -427.544
Base-Backbone interact. energy: -0.433
local terms energy: -471.325877
where:
bonds (distance) C4'-P energy: -93.516
bonds (distance) P-C4' energy: -94.545
flat angles C4'-P-C4' energy: -94.334
flat angles P-C4'-P energy: -71.491
tors. eta vs tors. theta energy: -117.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1332.314673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.314673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.314673 (E_RNA)
where:
Base-Base interactions energy: -886.273
where: short stacking energy: -365.963
Base-Backbone interact. energy: -0.667
local terms energy: -445.374607
where:
bonds (distance) C4'-P energy: -96.706
bonds (distance) P-C4' energy: -94.895
flat angles C4'-P-C4' energy: -100.750
flat angles P-C4'-P energy: -68.944
tors. eta vs tors. theta energy: -84.080
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: 8, replica: 7
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1087.021518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.021518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.021518 (E_RNA)
where:
Base-Base interactions energy: -714.600
where: short stacking energy: -326.103
Base-Backbone interact. energy: -2.250
local terms energy: -370.171968
where:
bonds (distance) C4'-P energy: -75.392
bonds (distance) P-C4' energy: -80.483
flat angles C4'-P-C4' energy: -102.270
flat angles P-C4'-P energy: -55.296
tors. eta vs tors. theta energy: -56.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -729.566235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.566235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.566235 (E_RNA)
where:
Base-Base interactions energy: -424.319
where: short stacking energy: -223.338
Base-Backbone interact. energy: -1.709
local terms energy: -303.538649
where:
bonds (distance) C4'-P energy: -78.449
bonds (distance) P-C4' energy: -83.536
flat angles C4'-P-C4' energy: -85.445
flat angles P-C4'-P energy: -27.680
tors. eta vs tors. theta energy: -28.428
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: 235
Temperature: 1.350000
Total energy: -609.006138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.006138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.006138 (E_RNA)
where:
Base-Base interactions energy: -293.258
where: short stacking energy: -185.587
Base-Backbone interact. energy: -2.737
local terms energy: -313.011742
where:
bonds (distance) C4'-P energy: -79.511
bonds (distance) P-C4' energy: -78.438
flat angles C4'-P-C4' energy: -75.712
flat angles P-C4'-P energy: -56.299
tors. eta vs tors. theta energy: -23.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1836.392859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.392859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.392859 (E_RNA)
where:
Base-Base interactions energy: -1284.299
where: short stacking energy: -553.336
Base-Backbone interact. energy: -1.033
local terms energy: -551.060775
where:
bonds (distance) C4'-P energy: -108.979
bonds (distance) P-C4' energy: -110.079
flat angles C4'-P-C4' energy: -112.393
flat angles P-C4'-P energy: -78.566
tors. eta vs tors. theta energy: -141.044
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: 1
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1843.704437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.704437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.704437 (E_RNA)
where:
Base-Base interactions energy: -1296.984
where: short stacking energy: -524.364
Base-Backbone interact. energy: 0.183
local terms energy: -546.903272
where:
bonds (distance) C4'-P energy: -106.796
bonds (distance) P-C4' energy: -105.627
flat angles C4'-P-C4' energy: -118.817
flat angles P-C4'-P energy: -66.505
tors. eta vs tors. theta energy: -149.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1678.595810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.595810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.595810 (E_RNA)
where:
Base-Base interactions energy: -1156.316
where: short stacking energy: -488.900
Base-Backbone interact. energy: -2.184
local terms energy: -520.096196
where:
bonds (distance) C4'-P energy: -92.250
bonds (distance) P-C4' energy: -107.469
flat angles C4'-P-C4' energy: -111.691
flat angles P-C4'-P energy: -77.932
tors. eta vs tors. theta energy: -130.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1618.252904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.252904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.252904 (E_RNA)
where:
Base-Base interactions energy: -1104.031
where: short stacking energy: -484.568
Base-Backbone interact. energy: -2.937
local terms energy: -511.284848
where:
bonds (distance) C4'-P energy: -87.763
bonds (distance) P-C4' energy: -107.720
flat angles C4'-P-C4' energy: -109.835
flat angles P-C4'-P energy: -77.032
tors. eta vs tors. theta energy: -128.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1578.451205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.451205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.451205 (E_RNA)
where:
Base-Base interactions energy: -1079.304
where: short stacking energy: -457.794
Base-Backbone interact. energy: -0.973
local terms energy: -498.174563
where:
bonds (distance) C4'-P energy: -91.184
bonds (distance) P-C4' energy: -100.283
flat angles C4'-P-C4' energy: -113.521
flat angles P-C4'-P energy: -74.911
tors. eta vs tors. theta energy: -118.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1522.706081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.706081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.706081 (E_RNA)
where:
Base-Base interactions energy: -1048.645
where: short stacking energy: -451.676
Base-Backbone interact. energy: -1.396
local terms energy: -472.665531
where:
bonds (distance) C4'-P energy: -104.810
bonds (distance) P-C4' energy: -94.636
flat angles C4'-P-C4' energy: -88.004
flat angles P-C4'-P energy: -74.382
tors. eta vs tors. theta energy: -110.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1324.125935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.125935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.125935 (E_RNA)
where:
Base-Base interactions energy: -855.032
where: short stacking energy: -384.506
Base-Backbone interact. energy: 1.770
local terms energy: -470.864402
where:
bonds (distance) C4'-P energy: -95.209
bonds (distance) P-C4' energy: -106.524
flat angles C4'-P-C4' energy: -96.315
flat angles P-C4'-P energy: -62.543
tors. eta vs tors. theta energy: -110.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1085.672618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.672618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.672618 (E_RNA)
where:
Base-Base interactions energy: -709.683
where: short stacking energy: -325.018
Base-Backbone interact. energy: -1.715
local terms energy: -374.274842
where:
bonds (distance) C4'-P energy: -79.765
bonds (distance) P-C4' energy: -70.467
flat angles C4'-P-C4' energy: -90.094
flat angles P-C4'-P energy: -57.623
tors. eta vs tors. theta energy: -76.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -638.017468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.017468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.017468 (E_RNA)
where:
Base-Base interactions energy: -333.716
where: short stacking energy: -188.929
Base-Backbone interact. energy: -1.305
local terms energy: -302.996298
where:
bonds (distance) C4'-P energy: -54.070
bonds (distance) P-C4' energy: -101.644
flat angles C4'-P-C4' energy: -70.254
flat angles P-C4'-P energy: -59.586
tors. eta vs tors. theta energy: -17.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -731.462878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.462878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.462878 (E_RNA)
where:
Base-Base interactions energy: -445.448
where: short stacking energy: -210.189
Base-Backbone interact. energy: -3.047
local terms energy: -282.968469
where:
bonds (distance) C4'-P energy: -66.421
bonds (distance) P-C4' energy: -78.308
flat angles C4'-P-C4' energy: -79.955
flat angles P-C4'-P energy: -39.775
tors. eta vs tors. theta energy: -18.509
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: 237
Temperature: 0.900000
Total energy: -1829.415934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.415934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.415934 (E_RNA)
where:
Base-Base interactions energy: -1301.583
where: short stacking energy: -525.510
Base-Backbone interact. energy: -1.423
local terms energy: -526.410603
where:
bonds (distance) C4'-P energy: -92.836
bonds (distance) P-C4' energy: -92.876
flat angles C4'-P-C4' energy: -126.485
flat angles P-C4'-P energy: -74.357
tors. eta vs tors. theta energy: -139.857
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: 237
Temperature: 0.950000
Total energy: -1843.417916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.417916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.417916 (E_RNA)
where:
Base-Base interactions energy: -1276.179
where: short stacking energy: -518.729
Base-Backbone interact. energy: 0.149
local terms energy: -567.387523
where:
bonds (distance) C4'-P energy: -100.168
bonds (distance) P-C4' energy: -102.630
flat angles C4'-P-C4' energy: -122.608
flat angles P-C4'-P energy: -89.790
tors. eta vs tors. theta energy: -152.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1691.193647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.193647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.193647 (E_RNA)
where:
Base-Base interactions energy: -1166.462
where: short stacking energy: -478.378
Base-Backbone interact. energy: -4.895
local terms energy: -519.836578
where:
bonds (distance) C4'-P energy: -108.857
bonds (distance) P-C4' energy: -95.991
flat angles C4'-P-C4' energy: -115.133
flat angles P-C4'-P energy: -76.779
tors. eta vs tors. theta energy: -123.077
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: 6
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1624.863411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.863411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.863411 (E_RNA)
where:
Base-Base interactions energy: -1135.694
where: short stacking energy: -480.504
Base-Backbone interact. energy: -0.345
local terms energy: -488.824614
where:
bonds (distance) C4'-P energy: -88.081
bonds (distance) P-C4' energy: -106.128
flat angles C4'-P-C4' energy: -105.261
flat angles P-C4'-P energy: -56.164
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: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1550.415862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.415862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.415862 (E_RNA)
where:
Base-Base interactions energy: -1064.349
where: short stacking energy: -451.555
Base-Backbone interact. energy: 0.472
local terms energy: -486.538781
where:
bonds (distance) C4'-P energy: -76.327
bonds (distance) P-C4' energy: -101.513
flat angles C4'-P-C4' energy: -110.701
flat angles P-C4'-P energy: -67.424
tors. eta vs tors. theta energy: -130.574
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: 237
Temperature: 1.150000
Total energy: -1460.426717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.426717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.426717 (E_RNA)
where:
Base-Base interactions energy: -1031.507
where: short stacking energy: -443.660
Base-Backbone interact. energy: 7.063
local terms energy: -435.982978
where:
bonds (distance) C4'-P energy: -80.376
bonds (distance) P-C4' energy: -84.109
flat angles C4'-P-C4' energy: -100.109
flat angles P-C4'-P energy: -51.666
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: 7, replica: 8
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1309.920738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.920738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.920738 (E_RNA)
where:
Base-Base interactions energy: -902.633
where: short stacking energy: -418.177
Base-Backbone interact. energy: -1.623
local terms energy: -405.664665
where:
bonds (distance) C4'-P energy: -75.561
bonds (distance) P-C4' energy: -94.245
flat angles C4'-P-C4' energy: -88.081
flat angles P-C4'-P energy: -54.882
tors. eta vs tors. theta energy: -92.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1079.281830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.281830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.281830 (E_RNA)
where:
Base-Base interactions energy: -716.609
where: short stacking energy: -314.062
Base-Backbone interact. energy: 4.496
local terms energy: -367.168075
where:
bonds (distance) C4'-P energy: -81.695
bonds (distance) P-C4' energy: -93.302
flat angles C4'-P-C4' energy: -90.938
flat angles P-C4'-P energy: -45.728
tors. eta vs tors. theta energy: -55.505
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: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -630.416834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.416834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.416834 (E_RNA)
where:
Base-Base interactions energy: -328.475
where: short stacking energy: -175.945
Base-Backbone interact. energy: 5.488
local terms energy: -307.429094
where:
bonds (distance) C4'-P energy: -100.828
bonds (distance) P-C4' energy: -83.878
flat angles C4'-P-C4' energy: -83.737
flat angles P-C4'-P energy: -47.551
tors. eta vs tors. theta energy: 8.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -696.273543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.273543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.273543 (E_RNA)
where:
Base-Base interactions energy: -408.552
where: short stacking energy: -215.528
Base-Backbone interact. energy: 0.364
local terms energy: -288.085108
where:
bonds (distance) C4'-P energy: -70.880
bonds (distance) P-C4' energy: -80.218
flat angles C4'-P-C4' energy: -63.295
flat angles P-C4'-P energy: -48.420
tors. eta vs tors. theta energy: -25.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1876.063195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.063195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.063195 (E_RNA)
where:
Base-Base interactions energy: -1335.275
where: short stacking energy: -543.451
Base-Backbone interact. energy: -3.124
local terms energy: -537.664023
where:
bonds (distance) C4'-P energy: -97.671
bonds (distance) P-C4' energy: -87.692
flat angles C4'-P-C4' energy: -122.370
flat angles P-C4'-P energy: -84.270
tors. eta vs tors. theta energy: -145.661
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: 2, replica: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1819.375770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.375770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.375770 (E_RNA)
where:
Base-Base interactions energy: -1280.665
where: short stacking energy: -523.346
Base-Backbone interact. energy: 1.932
local terms energy: -540.642625
where:
bonds (distance) C4'-P energy: -96.805
bonds (distance) P-C4' energy: -102.589
flat angles C4'-P-C4' energy: -116.595
flat angles P-C4'-P energy: -77.304
tors. eta vs tors. theta energy: -147.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1682.293408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.293408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.293408 (E_RNA)
where:
Base-Base interactions energy: -1164.570
where: short stacking energy: -486.416
Base-Backbone interact. energy: 1.052
local terms energy: -518.775231
where:
bonds (distance) C4'-P energy: -96.866
bonds (distance) P-C4' energy: -89.885
flat angles C4'-P-C4' energy: -119.902
flat angles P-C4'-P energy: -78.113
tors. eta vs tors. theta energy: -134.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1660.324488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.324488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.324488 (E_RNA)
where:
Base-Base interactions energy: -1152.492
where: short stacking energy: -492.605
Base-Backbone interact. energy: 0.461
local terms energy: -508.293071
where:
bonds (distance) C4'-P energy: -99.027
bonds (distance) P-C4' energy: -85.655
flat angles C4'-P-C4' energy: -98.101
flat angles P-C4'-P energy: -87.439
tors. eta vs tors. theta energy: -138.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1544.209127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.209127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.209127 (E_RNA)
where:
Base-Base interactions energy: -1063.427
where: short stacking energy: -448.384
Base-Backbone interact. energy: -0.942
local terms energy: -479.840004
where:
bonds (distance) C4'-P energy: -86.998
bonds (distance) P-C4' energy: -84.971
flat angles C4'-P-C4' energy: -101.688
flat angles P-C4'-P energy: -78.719
tors. eta vs tors. theta energy: -127.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1474.096070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.096070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.096070 (E_RNA)
where:
Base-Base interactions energy: -1013.338
where: short stacking energy: -422.038
Base-Backbone interact. energy: -1.464
local terms energy: -459.294476
where:
bonds (distance) C4'-P energy: -80.061
bonds (distance) P-C4' energy: -84.054
flat angles C4'-P-C4' energy: -111.810
flat angles P-C4'-P energy: -75.607
tors. eta vs tors. theta energy: -107.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1336.147679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.147679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.147679 (E_RNA)
where:
Base-Base interactions energy: -911.015
where: short stacking energy: -373.227
Base-Backbone interact. energy: -1.678
local terms energy: -423.455275
where:
bonds (distance) C4'-P energy: -91.726
bonds (distance) P-C4' energy: -91.007
flat angles C4'-P-C4' energy: -92.733
flat angles P-C4'-P energy: -58.408
tors. eta vs tors. theta energy: -89.582
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: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1014.988415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.988415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.988415 (E_RNA)
where:
Base-Base interactions energy: -641.575
where: short stacking energy: -293.337
Base-Backbone interact. energy: 0.333
local terms energy: -373.746193
where:
bonds (distance) C4'-P energy: -88.872
bonds (distance) P-C4' energy: -96.563
flat angles C4'-P-C4' energy: -83.816
flat angles P-C4'-P energy: -41.497
tors. eta vs tors. theta energy: -62.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -629.707405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.707405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.707405 (E_RNA)
where:
Base-Base interactions energy: -330.327
where: short stacking energy: -194.841
Base-Backbone interact. energy: -1.732
local terms energy: -297.648083
where:
bonds (distance) C4'-P energy: -72.602
bonds (distance) P-C4' energy: -89.093
flat angles C4'-P-C4' energy: -71.607
flat angles P-C4'-P energy: -50.038
tors. eta vs tors. theta energy: -14.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -680.301452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.301452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.301452 (E_RNA)
where:
Base-Base interactions energy: -411.522
where: short stacking energy: -206.369
Base-Backbone interact. energy: -0.097
local terms energy: -268.682642
where:
bonds (distance) C4'-P energy: -79.592
bonds (distance) P-C4' energy: -74.233
flat angles C4'-P-C4' energy: -69.247
flat angles P-C4'-P energy: -51.458
tors. eta vs tors. theta energy: 5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1908.920211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.920211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.920211 (E_RNA)
where:
Base-Base interactions energy: -1353.879
where: short stacking energy: -549.333
Base-Backbone interact. energy: -0.503
local terms energy: -554.538189
where:
bonds (distance) C4'-P energy: -100.309
bonds (distance) P-C4' energy: -112.310
flat angles C4'-P-C4' energy: -119.109
flat angles P-C4'-P energy: -76.754
tors. eta vs tors. theta energy: -146.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1799.871183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.871183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.871183 (E_RNA)
where:
Base-Base interactions energy: -1272.942
where: short stacking energy: -512.527
Base-Backbone interact. energy: -2.289
local terms energy: -524.640009
where:
bonds (distance) C4'-P energy: -92.037
bonds (distance) P-C4' energy: -107.626
flat angles C4'-P-C4' energy: -104.947
flat angles P-C4'-P energy: -74.908
tors. eta vs tors. theta energy: -145.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1702.004618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.004618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.004618 (E_RNA)
where:
Base-Base interactions energy: -1186.211
where: short stacking energy: -482.852
Base-Backbone interact. energy: -2.540
local terms energy: -513.252906
where:
bonds (distance) C4'-P energy: -105.863
bonds (distance) P-C4' energy: -100.684
flat angles C4'-P-C4' energy: -106.924
flat angles P-C4'-P energy: -70.591
tors. eta vs tors. theta energy: -129.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1618.338371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.338371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.338371 (E_RNA)
where:
Base-Base interactions energy: -1119.064
where: short stacking energy: -481.041
Base-Backbone interact. energy: 1.491
local terms energy: -500.765790
where:
bonds (distance) C4'-P energy: -87.166
bonds (distance) P-C4' energy: -96.346
flat angles C4'-P-C4' energy: -108.532
flat angles P-C4'-P energy: -74.124
tors. eta vs tors. theta energy: -134.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1521.512778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.512778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.512778 (E_RNA)
where:
Base-Base interactions energy: -1054.228
where: short stacking energy: -452.039
Base-Backbone interact. energy: 0.169
local terms energy: -467.453107
where:
bonds (distance) C4'-P energy: -78.738
bonds (distance) P-C4' energy: -89.000
flat angles C4'-P-C4' energy: -111.943
flat angles P-C4'-P energy: -70.657
tors. eta vs tors. theta energy: -117.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1469.279598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.279598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.279598 (E_RNA)
where:
Base-Base interactions energy: -1032.159
where: short stacking energy: -434.368
Base-Backbone interact. energy: 0.754
local terms energy: -437.874601
where:
bonds (distance) C4'-P energy: -87.439
bonds (distance) P-C4' energy: -69.686
flat angles C4'-P-C4' energy: -97.686
flat angles P-C4'-P energy: -70.629
tors. eta vs tors. theta energy: -112.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1353.154223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.154223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.154223 (E_RNA)
where:
Base-Base interactions energy: -913.245
where: short stacking energy: -401.067
Base-Backbone interact. energy: -1.250
local terms energy: -438.658933
where:
bonds (distance) C4'-P energy: -93.165
bonds (distance) P-C4' energy: -96.003
flat angles C4'-P-C4' energy: -91.531
flat angles P-C4'-P energy: -62.768
tors. eta vs tors. theta energy: -95.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1021.642477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.642477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.642477 (E_RNA)
where:
Base-Base interactions energy: -654.647
where: short stacking energy: -289.785
Base-Backbone interact. energy: 3.139
local terms energy: -370.134541
where:
bonds (distance) C4'-P energy: -95.424
bonds (distance) P-C4' energy: -78.028
flat angles C4'-P-C4' energy: -86.446
flat angles P-C4'-P energy: -48.152
tors. eta vs tors. theta energy: -62.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -628.038199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.038199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.038199 (E_RNA)
where:
Base-Base interactions energy: -327.026
where: short stacking energy: -202.247
Base-Backbone interact. energy: -0.987
local terms energy: -300.025182
where:
bonds (distance) C4'-P energy: -68.045
bonds (distance) P-C4' energy: -89.461
flat angles C4'-P-C4' energy: -88.113
flat angles P-C4'-P energy: -38.793
tors. eta vs tors. theta energy: -15.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -722.782594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.782594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.782594 (E_RNA)
where:
Base-Base interactions energy: -428.290
where: short stacking energy: -190.674
Base-Backbone interact. energy: 0.995
local terms energy: -295.486957
where:
bonds (distance) C4'-P energy: -80.179
bonds (distance) P-C4' energy: -86.169
flat angles C4'-P-C4' energy: -73.968
flat angles P-C4'-P energy: -33.294
tors. eta vs tors. theta energy: -21.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1891.754942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.754942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.754942 (E_RNA)
where:
Base-Base interactions energy: -1331.675
where: short stacking energy: -566.188
Base-Backbone interact. energy: -2.907
local terms energy: -557.172923
where:
bonds (distance) C4'-P energy: -95.517
bonds (distance) P-C4' energy: -107.636
flat angles C4'-P-C4' energy: -117.433
flat angles P-C4'-P energy: -82.289
tors. eta vs tors. theta energy: -154.298
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: 2
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1794.101085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.101085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.101085 (E_RNA)
where:
Base-Base interactions energy: -1268.353
where: short stacking energy: -546.157
Base-Backbone interact. energy: 0.043
local terms energy: -525.791039
where:
bonds (distance) C4'-P energy: -82.034
bonds (distance) P-C4' energy: -97.727
flat angles C4'-P-C4' energy: -117.222
flat angles P-C4'-P energy: -75.911
tors. eta vs tors. theta energy: -152.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1708.912844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.912844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.912844 (E_RNA)
where:
Base-Base interactions energy: -1182.098
where: short stacking energy: -489.456
Base-Backbone interact. energy: -0.137
local terms energy: -526.677542
where:
bonds (distance) C4'-P energy: -87.728
bonds (distance) P-C4' energy: -101.791
flat angles C4'-P-C4' energy: -123.154
flat angles P-C4'-P energy: -83.150
tors. eta vs tors. theta energy: -130.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1620.597058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.597058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.597058 (E_RNA)
where:
Base-Base interactions energy: -1106.819
where: short stacking energy: -496.174
Base-Backbone interact. energy: -1.138
local terms energy: -512.639759
where:
bonds (distance) C4'-P energy: -95.625
bonds (distance) P-C4' energy: -109.835
flat angles C4'-P-C4' energy: -113.814
flat angles P-C4'-P energy: -71.463
tors. eta vs tors. theta energy: -121.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1542.144370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.144370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.144370 (E_RNA)
where:
Base-Base interactions energy: -1051.313
where: short stacking energy: -451.237
Base-Backbone interact. energy: -1.635
local terms energy: -489.195872
where:
bonds (distance) C4'-P energy: -78.499
bonds (distance) P-C4' energy: -96.747
flat angles C4'-P-C4' energy: -114.728
flat angles P-C4'-P energy: -72.093
tors. eta vs tors. theta energy: -127.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1449.577177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.577177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.577177 (E_RNA)
where:
Base-Base interactions energy: -989.168
where: short stacking energy: -418.353
Base-Backbone interact. energy: -3.098
local terms energy: -457.310687
where:
bonds (distance) C4'-P energy: -83.445
bonds (distance) P-C4' energy: -110.866
flat angles C4'-P-C4' energy: -92.233
flat angles P-C4'-P energy: -69.618
tors. eta vs tors. theta energy: -101.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1284.845583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.845583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.845583 (E_RNA)
where:
Base-Base interactions energy: -860.350
where: short stacking energy: -369.480
Base-Backbone interact. energy: -2.020
local terms energy: -422.475693
where:
bonds (distance) C4'-P energy: -86.004
bonds (distance) P-C4' energy: -80.290
flat angles C4'-P-C4' energy: -99.240
flat angles P-C4'-P energy: -64.906
tors. eta vs tors. theta energy: -92.035
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: 7
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -994.803126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.803126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.803126 (E_RNA)
where:
Base-Base interactions energy: -624.998
where: short stacking energy: -274.707
Base-Backbone interact. energy: -3.054
local terms energy: -366.751845
where:
bonds (distance) C4'-P energy: -83.945
bonds (distance) P-C4' energy: -92.361
flat angles C4'-P-C4' energy: -78.628
flat angles P-C4'-P energy: -59.745
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: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -710.778700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.778700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.778700 (E_RNA)
where:
Base-Base interactions energy: -376.873
where: short stacking energy: -195.160
Base-Backbone interact. energy: 2.293
local terms energy: -336.198922
where:
bonds (distance) C4'-P energy: -68.789
bonds (distance) P-C4' energy: -88.121
flat angles C4'-P-C4' energy: -99.136
flat angles P-C4'-P energy: -62.434
tors. eta vs tors. theta energy: -17.719
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: 240
Temperature: 1.350000
Total energy: -561.432048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.432048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.432048 (E_RNA)
where:
Base-Base interactions energy: -269.799
where: short stacking energy: -141.103
Base-Backbone interact. energy: -3.438
local terms energy: -288.195076
where:
bonds (distance) C4'-P energy: -77.095
bonds (distance) P-C4' energy: -85.516
flat angles C4'-P-C4' energy: -91.492
flat angles P-C4'-P energy: -36.496
tors. eta vs tors. theta energy: 2.404
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: 1
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1887.901920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.901920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.901920 (E_RNA)
where:
Base-Base interactions energy: -1331.755
where: short stacking energy: -555.272
Base-Backbone interact. energy: -2.552
local terms energy: -553.594939
where:
bonds (distance) C4'-P energy: -112.792
bonds (distance) P-C4' energy: -98.854
flat angles C4'-P-C4' energy: -115.766
flat angles P-C4'-P energy: -72.770
tors. eta vs tors. theta energy: -153.413
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: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1795.565602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.565602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.565602 (E_RNA)
where:
Base-Base interactions energy: -1255.332
where: short stacking energy: -510.331
Base-Backbone interact. energy: -2.536
local terms energy: -537.698252
where:
bonds (distance) C4'-P energy: -99.378
bonds (distance) P-C4' energy: -107.608
flat angles C4'-P-C4' energy: -112.924
flat angles P-C4'-P energy: -77.673
tors. eta vs tors. theta energy: -140.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1681.382402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.382402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.382402 (E_RNA)
where:
Base-Base interactions energy: -1169.825
where: short stacking energy: -481.071
Base-Backbone interact. energy: -1.758
local terms energy: -509.799691
where:
bonds (distance) C4'-P energy: -96.021
bonds (distance) P-C4' energy: -104.648
flat angles C4'-P-C4' energy: -108.209
flat angles P-C4'-P energy: -77.624
tors. eta vs tors. theta energy: -123.297
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: 6
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1650.160055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.160055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.160055 (E_RNA)
where:
Base-Base interactions energy: -1156.212
where: short stacking energy: -491.514
Base-Backbone interact. energy: -1.097
local terms energy: -492.851584
where:
bonds (distance) C4'-P energy: -85.991
bonds (distance) P-C4' energy: -99.513
flat angles C4'-P-C4' energy: -109.784
flat angles P-C4'-P energy: -73.126
tors. eta vs tors. theta energy: -124.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1567.950539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.950539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.950539 (E_RNA)
where:
Base-Base interactions energy: -1078.210
where: short stacking energy: -465.739
Base-Backbone interact. energy: -1.384
local terms energy: -488.356671
where:
bonds (distance) C4'-P energy: -88.794
bonds (distance) P-C4' energy: -110.014
flat angles C4'-P-C4' energy: -99.618
flat angles P-C4'-P energy: -78.618
tors. eta vs tors. theta energy: -111.314
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: 6, replica: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1436.305145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.305145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.305145 (E_RNA)
where:
Base-Base interactions energy: -983.047
where: short stacking energy: -398.709
Base-Backbone interact. energy: 6.864
local terms energy: -460.122154
where:
bonds (distance) C4'-P energy: -99.621
bonds (distance) P-C4' energy: -100.371
flat angles C4'-P-C4' energy: -103.530
flat angles P-C4'-P energy: -59.970
tors. eta vs tors. theta energy: -96.629
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: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1307.636531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.636531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.636531 (E_RNA)
where:
Base-Base interactions energy: -869.439
where: short stacking energy: -384.534
Base-Backbone interact. energy: -1.288
local terms energy: -436.909914
where:
bonds (distance) C4'-P energy: -71.106
bonds (distance) P-C4' energy: -105.302
flat angles C4'-P-C4' energy: -99.151
flat angles P-C4'-P energy: -61.279
tors. eta vs tors. theta energy: -100.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1038.862331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.862331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.862331 (E_RNA)
where:
Base-Base interactions energy: -661.221
where: short stacking energy: -312.538
Base-Backbone interact. energy: -2.373
local terms energy: -375.267716
where:
bonds (distance) C4'-P energy: -91.553
bonds (distance) P-C4' energy: -76.794
flat angles C4'-P-C4' energy: -93.440
flat angles P-C4'-P energy: -50.088
tors. eta vs tors. theta energy: -63.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -712.549148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.549148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.549148 (E_RNA)
where:
Base-Base interactions energy: -410.392
where: short stacking energy: -200.279
Base-Backbone interact. energy: 5.431
local terms energy: -307.588210
where:
bonds (distance) C4'-P energy: -82.455
bonds (distance) P-C4' energy: -82.288
flat angles C4'-P-C4' energy: -83.845
flat angles P-C4'-P energy: -49.072
tors. eta vs tors. theta energy: -9.929
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: 241
Temperature: 1.350000
Total energy: -546.539559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.539559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.539559 (E_RNA)
where:
Base-Base interactions energy: -283.259
where: short stacking energy: -164.625
Base-Backbone interact. energy: -1.516
local terms energy: -261.764292
where:
bonds (distance) C4'-P energy: -62.481
bonds (distance) P-C4' energy: -83.825
flat angles C4'-P-C4' energy: -75.143
flat angles P-C4'-P energy: -44.705
tors. eta vs tors. theta energy: 4.390
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: 2
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1834.908888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.908888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.908888 (E_RNA)
where:
Base-Base interactions energy: -1264.136
where: short stacking energy: -522.879
Base-Backbone interact. energy: -3.157
local terms energy: -567.616462
where:
bonds (distance) C4'-P energy: -100.240
bonds (distance) P-C4' energy: -106.896
flat angles C4'-P-C4' energy: -123.592
flat angles P-C4'-P energy: -88.471
tors. eta vs tors. theta energy: -148.418
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: 242
Temperature: 0.950000
Total energy: -1843.062562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.062562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.062562 (E_RNA)
where:
Base-Base interactions energy: -1324.520
where: short stacking energy: -542.935
Base-Backbone interact. energy: 3.164
local terms energy: -521.706794
where:
bonds (distance) C4'-P energy: -96.019
bonds (distance) P-C4' energy: -84.070
flat angles C4'-P-C4' energy: -116.199
flat angles P-C4'-P energy: -74.633
tors. eta vs tors. theta energy: -150.785
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: 5
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1693.751023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.751023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.751023 (E_RNA)
where:
Base-Base interactions energy: -1177.473
where: short stacking energy: -487.397
Base-Backbone interact. energy: 3.483
local terms energy: -519.760995
where:
bonds (distance) C4'-P energy: -101.495
bonds (distance) P-C4' energy: -103.005
flat angles C4'-P-C4' energy: -120.080
flat angles P-C4'-P energy: -71.712
tors. eta vs tors. theta energy: -123.469
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: 6
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1645.709263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.709263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.709263 (E_RNA)
where:
Base-Base interactions energy: -1143.064
where: short stacking energy: -492.149
Base-Backbone interact. energy: -0.177
local terms energy: -502.468868
where:
bonds (distance) C4'-P energy: -99.872
bonds (distance) P-C4' energy: -89.538
flat angles C4'-P-C4' energy: -101.973
flat angles P-C4'-P energy: -74.751
tors. eta vs tors. theta energy: -136.335
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: 242
Temperature: 1.100000
Total energy: -1479.402120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.402120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.402120 (E_RNA)
where:
Base-Base interactions energy: -1004.137
where: short stacking energy: -422.233
Base-Backbone interact. energy: -0.455
local terms energy: -474.810619
where:
bonds (distance) C4'-P energy: -81.457
bonds (distance) P-C4' energy: -100.168
flat angles C4'-P-C4' energy: -110.863
flat angles P-C4'-P energy: -62.821
tors. eta vs tors. theta energy: -119.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1484.561446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.561446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.561446 (E_RNA)
where:
Base-Base interactions energy: -1035.858
where: short stacking energy: -426.805
Base-Backbone interact. energy: -3.123
local terms energy: -445.580203
where:
bonds (distance) C4'-P energy: -88.295
bonds (distance) P-C4' energy: -98.496
flat angles C4'-P-C4' energy: -90.817
flat angles P-C4'-P energy: -59.146
tors. eta vs tors. theta energy: -108.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1268.544627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.544627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.544627 (E_RNA)
where:
Base-Base interactions energy: -829.050
where: short stacking energy: -373.898
Base-Backbone interact. energy: 1.086
local terms energy: -440.580738
where:
bonds (distance) C4'-P energy: -80.234
bonds (distance) P-C4' energy: -99.520
flat angles C4'-P-C4' energy: -105.281
flat angles P-C4'-P energy: -66.357
tors. eta vs tors. theta energy: -89.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1012.027873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.027873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.027873 (E_RNA)
where:
Base-Base interactions energy: -652.409
where: short stacking energy: -281.908
Base-Backbone interact. energy: 1.265
local terms energy: -360.884430
where:
bonds (distance) C4'-P energy: -85.466
bonds (distance) P-C4' energy: -72.976
flat angles C4'-P-C4' energy: -87.539
flat angles P-C4'-P energy: -61.278
tors. eta vs tors. theta energy: -53.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -709.419960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.419960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.419960 (E_RNA)
where:
Base-Base interactions energy: -422.274
where: short stacking energy: -217.261
Base-Backbone interact. energy: 8.481
local terms energy: -295.627271
where:
bonds (distance) C4'-P energy: -70.380
bonds (distance) P-C4' energy: -83.171
flat angles C4'-P-C4' energy: -87.114
flat angles P-C4'-P energy: -51.543
tors. eta vs tors. theta energy: -3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -627.921890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.921890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.921890 (E_RNA)
where:
Base-Base interactions energy: -330.260
where: short stacking energy: -208.149
Base-Backbone interact. energy: 6.020
local terms energy: -303.682233
where:
bonds (distance) C4'-P energy: -78.503
bonds (distance) P-C4' energy: -93.162
flat angles C4'-P-C4' energy: -71.516
flat angles P-C4'-P energy: -44.370
tors. eta vs tors. theta energy: -16.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1848.788477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.788477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.788477 (E_RNA)
where:
Base-Base interactions energy: -1308.381
where: short stacking energy: -522.838
Base-Backbone interact. energy: -3.685
local terms energy: -536.722426
where:
bonds (distance) C4'-P energy: -94.518
bonds (distance) P-C4' energy: -108.811
flat angles C4'-P-C4' energy: -114.469
flat angles P-C4'-P energy: -78.426
tors. eta vs tors. theta energy: -140.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1826.012581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.012581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.012581 (E_RNA)
where:
Base-Base interactions energy: -1291.568
where: short stacking energy: -510.586
Base-Backbone interact. energy: -0.976
local terms energy: -533.468280
where:
bonds (distance) C4'-P energy: -95.335
bonds (distance) P-C4' energy: -104.366
flat angles C4'-P-C4' energy: -113.441
flat angles P-C4'-P energy: -72.868
tors. eta vs tors. theta energy: -147.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1688.121019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.121019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.121019 (E_RNA)
where:
Base-Base interactions energy: -1181.496
where: short stacking energy: -484.500
Base-Backbone interact. energy: -1.686
local terms energy: -504.938539
where:
bonds (distance) C4'-P energy: -96.019
bonds (distance) P-C4' energy: -98.711
flat angles C4'-P-C4' energy: -111.931
flat angles P-C4'-P energy: -69.050
tors. eta vs tors. theta energy: -129.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1672.940269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.940269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.940269 (E_RNA)
where:
Base-Base interactions energy: -1162.455
where: short stacking energy: -491.298
Base-Backbone interact. energy: -4.214
local terms energy: -506.271863
where:
bonds (distance) C4'-P energy: -92.708
bonds (distance) P-C4' energy: -96.859
flat angles C4'-P-C4' energy: -107.952
flat angles P-C4'-P energy: -78.713
tors. eta vs tors. theta energy: -130.040
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: 5, replica: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1535.346055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.346055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.346055 (E_RNA)
where:
Base-Base interactions energy: -1050.281
where: short stacking energy: -457.630
Base-Backbone interact. energy: -0.691
local terms energy: -484.374013
where:
bonds (distance) C4'-P energy: -91.643
bonds (distance) P-C4' energy: -93.049
flat angles C4'-P-C4' energy: -108.967
flat angles P-C4'-P energy: -65.787
tors. eta vs tors. theta energy: -124.929
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: 3
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1472.319128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.319128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.319128 (E_RNA)
where:
Base-Base interactions energy: -998.618
where: short stacking energy: -412.891
Base-Backbone interact. energy: 2.502
local terms energy: -476.203549
where:
bonds (distance) C4'-P energy: -95.468
bonds (distance) P-C4' energy: -101.295
flat angles C4'-P-C4' energy: -102.616
flat angles P-C4'-P energy: -74.219
tors. eta vs tors. theta energy: -102.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1310.475621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.475621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.475621 (E_RNA)
where:
Base-Base interactions energy: -891.103
where: short stacking energy: -404.776
Base-Backbone interact. energy: -0.433
local terms energy: -418.939633
where:
bonds (distance) C4'-P energy: -62.726
bonds (distance) P-C4' energy: -85.106
flat angles C4'-P-C4' energy: -100.310
flat angles P-C4'-P energy: -69.250
tors. eta vs tors. theta energy: -101.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1066.141114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.141114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.141114 (E_RNA)
where:
Base-Base interactions energy: -695.925
where: short stacking energy: -323.719
Base-Backbone interact. energy: -3.386
local terms energy: -366.830315
where:
bonds (distance) C4'-P energy: -52.852
bonds (distance) P-C4' energy: -79.397
flat angles C4'-P-C4' energy: -97.836
flat angles P-C4'-P energy: -60.888
tors. eta vs tors. theta energy: -75.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -692.998477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.998477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.998477 (E_RNA)
where:
Base-Base interactions energy: -370.844
where: short stacking energy: -179.013
Base-Backbone interact. energy: -3.314
local terms energy: -318.841080
where:
bonds (distance) C4'-P energy: -98.838
bonds (distance) P-C4' energy: -110.496
flat angles C4'-P-C4' energy: -69.441
flat angles P-C4'-P energy: -33.900
tors. eta vs tors. theta energy: -6.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -631.522219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.522219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.522219 (E_RNA)
where:
Base-Base interactions energy: -320.707
where: short stacking energy: -183.168
Base-Backbone interact. energy: -2.889
local terms energy: -307.925636
where:
bonds (distance) C4'-P energy: -83.148
bonds (distance) P-C4' energy: -73.784
flat angles C4'-P-C4' energy: -76.208
flat angles P-C4'-P energy: -53.243
tors. eta vs tors. theta energy: -21.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1858.279184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.279184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.279184 (E_RNA)
where:
Base-Base interactions energy: -1299.895
where: short stacking energy: -515.726
Base-Backbone interact. energy: -3.444
local terms energy: -554.940646
where:
bonds (distance) C4'-P energy: -104.367
bonds (distance) P-C4' energy: -99.009
flat angles C4'-P-C4' energy: -122.944
flat angles P-C4'-P energy: -83.574
tors. eta vs tors. theta energy: -145.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1815.971100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.971100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.971100 (E_RNA)
where:
Base-Base interactions energy: -1266.724
where: short stacking energy: -494.041
Base-Backbone interact. energy: -0.979
local terms energy: -548.268583
where:
bonds (distance) C4'-P energy: -96.788
bonds (distance) P-C4' energy: -105.385
flat angles C4'-P-C4' energy: -114.992
flat angles P-C4'-P energy: -88.536
tors. eta vs tors. theta energy: -142.567
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: 6
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1729.840015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.840015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.840015 (E_RNA)
where:
Base-Base interactions energy: -1203.198
where: short stacking energy: -488.265
Base-Backbone interact. energy: -1.845
local terms energy: -524.796565
where:
bonds (distance) C4'-P energy: -96.396
bonds (distance) P-C4' energy: -108.702
flat angles C4'-P-C4' energy: -102.792
flat angles P-C4'-P energy: -73.618
tors. eta vs tors. theta energy: -143.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1633.544740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.544740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.544740 (E_RNA)
where:
Base-Base interactions energy: -1152.321
where: short stacking energy: -475.175
Base-Backbone interact. energy: 1.247
local terms energy: -482.471235
where:
bonds (distance) C4'-P energy: -85.411
bonds (distance) P-C4' energy: -98.576
flat angles C4'-P-C4' energy: -101.583
flat angles P-C4'-P energy: -74.235
tors. eta vs tors. theta energy: -122.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1562.203600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.203600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.203600 (E_RNA)
where:
Base-Base interactions energy: -1079.588
where: short stacking energy: -450.082
Base-Backbone interact. energy: 0.460
local terms energy: -483.075440
where:
bonds (distance) C4'-P energy: -88.189
bonds (distance) P-C4' energy: -91.761
flat angles C4'-P-C4' energy: -102.387
flat angles P-C4'-P energy: -74.552
tors. eta vs tors. theta energy: -126.187
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: 3
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1399.443800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.443800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.443800 (E_RNA)
where:
Base-Base interactions energy: -964.970
where: short stacking energy: -412.110
Base-Backbone interact. energy: -0.332
local terms energy: -434.142067
where:
bonds (distance) C4'-P energy: -85.171
bonds (distance) P-C4' energy: -81.000
flat angles C4'-P-C4' energy: -90.523
flat angles P-C4'-P energy: -73.579
tors. eta vs tors. theta energy: -103.868
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: 8
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1281.198418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.198418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.198418 (E_RNA)
where:
Base-Base interactions energy: -845.268
where: short stacking energy: -360.085
Base-Backbone interact. energy: 0.260
local terms energy: -436.190161
where:
bonds (distance) C4'-P energy: -91.763
bonds (distance) P-C4' energy: -107.942
flat angles C4'-P-C4' energy: -97.449
flat angles P-C4'-P energy: -61.864
tors. eta vs tors. theta energy: -77.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1069.325730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.325730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.325730 (E_RNA)
where:
Base-Base interactions energy: -695.073
where: short stacking energy: -310.284
Base-Backbone interact. energy: -2.249
local terms energy: -372.004696
where:
bonds (distance) C4'-P energy: -74.949
bonds (distance) P-C4' energy: -96.886
flat angles C4'-P-C4' energy: -86.036
flat angles P-C4'-P energy: -55.671
tors. eta vs tors. theta energy: -58.463
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: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -738.319050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.319050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.319050 (E_RNA)
where:
Base-Base interactions energy: -413.269
where: short stacking energy: -242.016
Base-Backbone interact. energy: 3.047
local terms energy: -328.096608
where:
bonds (distance) C4'-P energy: -86.641
bonds (distance) P-C4' energy: -92.084
flat angles C4'-P-C4' energy: -78.221
flat angles P-C4'-P energy: -30.348
tors. eta vs tors. theta energy: -40.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -600.998679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.998679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.998679 (E_RNA)
where:
Base-Base interactions energy: -307.372
where: short stacking energy: -169.019
Base-Backbone interact. energy: -1.328
local terms energy: -292.298997
where:
bonds (distance) C4'-P energy: -85.785
bonds (distance) P-C4' energy: -69.687
flat angles C4'-P-C4' energy: -73.180
flat angles P-C4'-P energy: -58.243
tors. eta vs tors. theta energy: -5.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1870.762315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.762315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.762315 (E_RNA)
where:
Base-Base interactions energy: -1321.825
where: short stacking energy: -540.948
Base-Backbone interact. energy: 0.201
local terms energy: -549.137589
where:
bonds (distance) C4'-P energy: -103.944
bonds (distance) P-C4' energy: -98.559
flat angles C4'-P-C4' energy: -116.912
flat angles P-C4'-P energy: -81.648
tors. eta vs tors. theta energy: -148.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1815.224104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.224104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.224104 (E_RNA)
where:
Base-Base interactions energy: -1287.561
where: short stacking energy: -524.500
Base-Backbone interact. energy: -3.823
local terms energy: -523.839932
where:
bonds (distance) C4'-P energy: -94.657
bonds (distance) P-C4' energy: -93.537
flat angles C4'-P-C4' energy: -112.114
flat angles P-C4'-P energy: -81.105
tors. eta vs tors. theta energy: -142.427
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: 6
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1744.879270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.879270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.879270 (E_RNA)
where:
Base-Base interactions energy: -1206.267
where: short stacking energy: -508.782
Base-Backbone interact. energy: -1.363
local terms energy: -537.249929
where:
bonds (distance) C4'-P energy: -102.740
bonds (distance) P-C4' energy: -93.418
flat angles C4'-P-C4' energy: -127.575
flat angles P-C4'-P energy: -68.322
tors. eta vs tors. theta energy: -145.194
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: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1601.779903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.779903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.779903 (E_RNA)
where:
Base-Base interactions energy: -1094.451
where: short stacking energy: -443.489
Base-Backbone interact. energy: -0.834
local terms energy: -506.495369
where:
bonds (distance) C4'-P energy: -94.287
bonds (distance) P-C4' energy: -108.112
flat angles C4'-P-C4' energy: -120.371
flat angles P-C4'-P energy: -73.902
tors. eta vs tors. theta energy: -109.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1525.755201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.755201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.755201 (E_RNA)
where:
Base-Base interactions energy: -1030.110
where: short stacking energy: -451.830
Base-Backbone interact. energy: 2.905
local terms energy: -498.550042
where:
bonds (distance) C4'-P energy: -89.946
bonds (distance) P-C4' energy: -99.271
flat angles C4'-P-C4' energy: -105.328
flat angles P-C4'-P energy: -81.776
tors. eta vs tors. theta energy: -122.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1412.022624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.022624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.022624 (E_RNA)
where:
Base-Base interactions energy: -988.106
where: short stacking energy: -408.842
Base-Backbone interact. energy: -0.595
local terms energy: -423.321042
where:
bonds (distance) C4'-P energy: -78.954
bonds (distance) P-C4' energy: -90.644
flat angles C4'-P-C4' energy: -85.912
flat angles P-C4'-P energy: -72.349
tors. eta vs tors. theta energy: -95.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1262.029133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.029133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.029133 (E_RNA)
where:
Base-Base interactions energy: -843.918
where: short stacking energy: -373.088
Base-Backbone interact. energy: 1.671
local terms energy: -419.782178
where:
bonds (distance) C4'-P energy: -89.469
bonds (distance) P-C4' energy: -95.731
flat angles C4'-P-C4' energy: -96.958
flat angles P-C4'-P energy: -52.728
tors. eta vs tors. theta energy: -84.896
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: 245
Temperature: 1.250000
Total energy: -1053.045817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.045817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.045817 (E_RNA)
where:
Base-Base interactions energy: -668.432
where: short stacking energy: -315.462
Base-Backbone interact. energy: 4.987
local terms energy: -389.600477
where:
bonds (distance) C4'-P energy: -94.458
bonds (distance) P-C4' energy: -89.467
flat angles C4'-P-C4' energy: -92.484
flat angles P-C4'-P energy: -49.948
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: 9, replica: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -729.727258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.727258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.727258 (E_RNA)
where:
Base-Base interactions energy: -416.109
where: short stacking energy: -202.092
Base-Backbone interact. energy: -1.660
local terms energy: -311.958864
where:
bonds (distance) C4'-P energy: -73.545
bonds (distance) P-C4' energy: -95.934
flat angles C4'-P-C4' energy: -86.151
flat angles P-C4'-P energy: -41.069
tors. eta vs tors. theta energy: -15.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -612.744147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.744147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.744147 (E_RNA)
where:
Base-Base interactions energy: -318.265
where: short stacking energy: -167.135
Base-Backbone interact. energy: -1.274
local terms energy: -293.204622
where:
bonds (distance) C4'-P energy: -83.137
bonds (distance) P-C4' energy: -86.119
flat angles C4'-P-C4' energy: -73.119
flat angles P-C4'-P energy: -53.054
tors. eta vs tors. theta energy: 2.224
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: 246
Temperature: 0.900000
Total energy: -1871.223631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.223631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.223631 (E_RNA)
where:
Base-Base interactions energy: -1310.298
where: short stacking energy: -541.610
Base-Backbone interact. energy: -2.599
local terms energy: -558.326869
where:
bonds (distance) C4'-P energy: -104.583
bonds (distance) P-C4' energy: -100.882
flat angles C4'-P-C4' energy: -114.630
flat angles P-C4'-P energy: -90.281
tors. eta vs tors. theta energy: -147.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1823.738504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.738504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.738504 (E_RNA)
where:
Base-Base interactions energy: -1291.091
where: short stacking energy: -519.614
Base-Backbone interact. energy: -2.989
local terms energy: -529.658519
where:
bonds (distance) C4'-P energy: -102.891
bonds (distance) P-C4' energy: -85.410
flat angles C4'-P-C4' energy: -114.501
flat angles P-C4'-P energy: -78.220
tors. eta vs tors. theta energy: -148.637
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: 6
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1703.888296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.888296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.888296 (E_RNA)
where:
Base-Base interactions energy: -1200.305
where: short stacking energy: -520.925
Base-Backbone interact. energy: -0.154
local terms energy: -503.429206
where:
bonds (distance) C4'-P energy: -102.426
bonds (distance) P-C4' energy: -90.550
flat angles C4'-P-C4' energy: -106.362
flat angles P-C4'-P energy: -57.776
tors. eta vs tors. theta energy: -146.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1596.086980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.086980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.086980 (E_RNA)
where:
Base-Base interactions energy: -1090.666
where: short stacking energy: -457.831
Base-Backbone interact. energy: -1.186
local terms energy: -504.234839
where:
bonds (distance) C4'-P energy: -99.018
bonds (distance) P-C4' energy: -98.002
flat angles C4'-P-C4' energy: -117.074
flat angles P-C4'-P energy: -69.046
tors. eta vs tors. theta energy: -121.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1586.496834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.496834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.496834 (E_RNA)
where:
Base-Base interactions energy: -1090.719
where: short stacking energy: -449.930
Base-Backbone interact. energy: -0.186
local terms energy: -495.591770
where:
bonds (distance) C4'-P energy: -88.012
bonds (distance) P-C4' energy: -89.812
flat angles C4'-P-C4' energy: -118.685
flat angles P-C4'-P energy: -78.383
tors. eta vs tors. theta energy: -120.700
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: 6, replica: 3
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1379.869907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.869907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.869907 (E_RNA)
where:
Base-Base interactions energy: -944.819
where: short stacking energy: -397.757
Base-Backbone interact. energy: -0.640
local terms energy: -434.411626
where:
bonds (distance) C4'-P energy: -83.206
bonds (distance) P-C4' energy: -94.096
flat angles C4'-P-C4' energy: -98.710
flat angles P-C4'-P energy: -69.404
tors. eta vs tors. theta energy: -88.996
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: 8
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1290.056948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.056948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.056948 (E_RNA)
where:
Base-Base interactions energy: -870.451
where: short stacking energy: -391.265
Base-Backbone interact. energy: -2.042
local terms energy: -417.563946
where:
bonds (distance) C4'-P energy: -87.040
bonds (distance) P-C4' energy: -86.292
flat angles C4'-P-C4' energy: -90.343
flat angles P-C4'-P energy: -65.688
tors. eta vs tors. theta energy: -88.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1066.984619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.984619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.984619 (E_RNA)
where:
Base-Base interactions energy: -658.964
where: short stacking energy: -301.662
Base-Backbone interact. energy: -1.967
local terms energy: -406.053063
where:
bonds (distance) C4'-P energy: -88.625
bonds (distance) P-C4' energy: -89.410
flat angles C4'-P-C4' energy: -96.562
flat angles P-C4'-P energy: -66.387
tors. eta vs tors. theta energy: -65.069
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: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -754.596489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.596489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.596489 (E_RNA)
where:
Base-Base interactions energy: -452.782
where: short stacking energy: -220.279
Base-Backbone interact. energy: 1.370
local terms energy: -303.184650
where:
bonds (distance) C4'-P energy: -73.623
bonds (distance) P-C4' energy: -85.834
flat angles C4'-P-C4' energy: -84.965
flat angles P-C4'-P energy: -50.851
tors. eta vs tors. theta energy: -7.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -644.035720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.035720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.035720 (E_RNA)
where:
Base-Base interactions energy: -360.069
where: short stacking energy: -195.652
Base-Backbone interact. energy: -0.926
local terms energy: -283.041510
where:
bonds (distance) C4'-P energy: -95.272
bonds (distance) P-C4' energy: -70.162
flat angles C4'-P-C4' energy: -57.213
flat angles P-C4'-P energy: -52.599
tors. eta vs tors. theta energy: -7.796
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: 247
Temperature: 0.900000
Total energy: -1875.913920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.913920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.913920 (E_RNA)
where:
Base-Base interactions energy: -1317.442
where: short stacking energy: -538.489
Base-Backbone interact. energy: -0.591
local terms energy: -557.880655
where:
bonds (distance) C4'-P energy: -105.467
bonds (distance) P-C4' energy: -103.202
flat angles C4'-P-C4' energy: -114.422
flat angles P-C4'-P energy: -82.761
tors. eta vs tors. theta energy: -152.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1826.944045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.944045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.944045 (E_RNA)
where:
Base-Base interactions energy: -1270.711
where: short stacking energy: -513.854
Base-Backbone interact. energy: -2.617
local terms energy: -553.615634
where:
bonds (distance) C4'-P energy: -101.378
bonds (distance) P-C4' energy: -106.537
flat angles C4'-P-C4' energy: -123.701
flat angles P-C4'-P energy: -75.932
tors. eta vs tors. theta energy: -146.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1681.192743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.192743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.192743 (E_RNA)
where:
Base-Base interactions energy: -1160.021
where: short stacking energy: -475.231
Base-Backbone interact. energy: -3.369
local terms energy: -517.802868
where:
bonds (distance) C4'-P energy: -96.813
bonds (distance) P-C4' energy: -107.289
flat angles C4'-P-C4' energy: -106.410
flat angles P-C4'-P energy: -75.915
tors. eta vs tors. theta energy: -131.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1614.052826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.052826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.052826 (E_RNA)
where:
Base-Base interactions energy: -1107.350
where: short stacking energy: -456.830
Base-Backbone interact. energy: 0.087
local terms energy: -506.790246
where:
bonds (distance) C4'-P energy: -102.948
bonds (distance) P-C4' energy: -99.878
flat angles C4'-P-C4' energy: -104.826
flat angles P-C4'-P energy: -77.686
tors. eta vs tors. theta energy: -121.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1587.038075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.038075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.038075 (E_RNA)
where:
Base-Base interactions energy: -1082.571
where: short stacking energy: -453.983
Base-Backbone interact. energy: 0.142
local terms energy: -504.608770
where:
bonds (distance) C4'-P energy: -103.859
bonds (distance) P-C4' energy: -102.642
flat angles C4'-P-C4' energy: -102.666
flat angles P-C4'-P energy: -68.281
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: 6, replica: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1419.394369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.394369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.394369 (E_RNA)
where:
Base-Base interactions energy: -989.188
where: short stacking energy: -444.133
Base-Backbone interact. energy: -2.896
local terms energy: -427.310500
where:
bonds (distance) C4'-P energy: -70.131
bonds (distance) P-C4' energy: -98.086
flat angles C4'-P-C4' energy: -86.743
flat angles P-C4'-P energy: -65.785
tors. eta vs tors. theta energy: -106.565
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: 7, replica: 8
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1222.138467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.138467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.138467 (E_RNA)
where:
Base-Base interactions energy: -812.989
where: short stacking energy: -366.022
Base-Backbone interact. energy: -0.894
local terms energy: -408.255554
where:
bonds (distance) C4'-P energy: -93.947
bonds (distance) P-C4' energy: -86.990
flat angles C4'-P-C4' energy: -91.091
flat angles P-C4'-P energy: -55.601
tors. eta vs tors. theta energy: -80.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1010.905919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.905919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.905919 (E_RNA)
where:
Base-Base interactions energy: -616.545
where: short stacking energy: -270.410
Base-Backbone interact. energy: -2.832
local terms energy: -391.528563
where:
bonds (distance) C4'-P energy: -97.978
bonds (distance) P-C4' energy: -93.921
flat angles C4'-P-C4' energy: -97.706
flat angles P-C4'-P energy: -55.453
tors. eta vs tors. theta energy: -46.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -707.866004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.866004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.866004 (E_RNA)
where:
Base-Base interactions energy: -416.254
where: short stacking energy: -232.051
Base-Backbone interact. energy: 0.750
local terms energy: -292.361435
where:
bonds (distance) C4'-P energy: -52.089
bonds (distance) P-C4' energy: -80.593
flat angles C4'-P-C4' energy: -96.292
flat angles P-C4'-P energy: -45.316
tors. eta vs tors. theta energy: -18.071
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: 247
Temperature: 1.350000
Total energy: -618.781551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.781551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.781551 (E_RNA)
where:
Base-Base interactions energy: -357.410
where: short stacking energy: -192.356
Base-Backbone interact. energy: 3.018
local terms energy: -264.390015
where:
bonds (distance) C4'-P energy: -54.346
bonds (distance) P-C4' energy: -73.316
flat angles C4'-P-C4' energy: -83.174
flat angles P-C4'-P energy: -43.251
tors. eta vs tors. theta energy: -10.303
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: 248
Temperature: 0.900000
Total energy: -1895.185319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.185319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.185319 (E_RNA)
where:
Base-Base interactions energy: -1341.385
where: short stacking energy: -539.032
Base-Backbone interact. energy: 1.816
local terms energy: -555.616163
where:
bonds (distance) C4'-P energy: -110.181
bonds (distance) P-C4' energy: -101.490
flat angles C4'-P-C4' energy: -119.931
flat angles P-C4'-P energy: -75.166
tors. eta vs tors. theta energy: -148.847
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: 248
Temperature: 0.950000
Total energy: -1833.929873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.929873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.929873 (E_RNA)
where:
Base-Base interactions energy: -1292.132
where: short stacking energy: -538.750
Base-Backbone interact. energy: -3.054
local terms energy: -538.744174
where:
bonds (distance) C4'-P energy: -88.895
bonds (distance) P-C4' energy: -107.756
flat angles C4'-P-C4' energy: -108.436
flat angles P-C4'-P energy: -84.742
tors. eta vs tors. theta energy: -148.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1710.226838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.226838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.226838 (E_RNA)
where:
Base-Base interactions energy: -1182.071
where: short stacking energy: -491.456
Base-Backbone interact. energy: -4.631
local terms energy: -523.524739
where:
bonds (distance) C4'-P energy: -89.279
bonds (distance) P-C4' energy: -103.752
flat angles C4'-P-C4' energy: -112.864
flat angles P-C4'-P energy: -82.778
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: 4, replica: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1625.365618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.365618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.365618 (E_RNA)
where:
Base-Base interactions energy: -1131.636
where: short stacking energy: -472.672
Base-Backbone interact. energy: 0.228
local terms energy: -493.957675
where:
bonds (distance) C4'-P energy: -86.124
bonds (distance) P-C4' energy: -97.693
flat angles C4'-P-C4' energy: -117.757
flat angles P-C4'-P energy: -69.994
tors. eta vs tors. theta energy: -122.390
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: 5, replica: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1567.270755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.270755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.270755 (E_RNA)
where:
Base-Base interactions energy: -1088.873
where: short stacking energy: -458.294
Base-Backbone interact. energy: -0.220
local terms energy: -478.178532
where:
bonds (distance) C4'-P energy: -92.138
bonds (distance) P-C4' energy: -82.488
flat angles C4'-P-C4' energy: -108.139
flat angles P-C4'-P energy: -70.857
tors. eta vs tors. theta energy: -124.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1399.010318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.010318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.010318 (E_RNA)
where:
Base-Base interactions energy: -949.772
where: short stacking energy: -430.450
Base-Backbone interact. energy: 5.276
local terms energy: -454.514588
where:
bonds (distance) C4'-P energy: -89.050
bonds (distance) P-C4' energy: -85.413
flat angles C4'-P-C4' energy: -107.070
flat angles P-C4'-P energy: -62.453
tors. eta vs tors. theta energy: -110.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1275.096081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.096081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.096081 (E_RNA)
where:
Base-Base interactions energy: -855.588
where: short stacking energy: -377.859
Base-Backbone interact. energy: 3.177
local terms energy: -422.685318
where:
bonds (distance) C4'-P energy: -87.646
bonds (distance) P-C4' energy: -89.198
flat angles C4'-P-C4' energy: -96.218
flat angles P-C4'-P energy: -70.899
tors. eta vs tors. theta energy: -78.724
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: 248
Temperature: 1.250000
Total energy: -1039.381971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.381971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.381971 (E_RNA)
where:
Base-Base interactions energy: -638.354
where: short stacking energy: -290.360
Base-Backbone interact. energy: -3.653
local terms energy: -397.374883
where:
bonds (distance) C4'-P energy: -85.363
bonds (distance) P-C4' energy: -91.631
flat angles C4'-P-C4' energy: -97.687
flat angles P-C4'-P energy: -61.695
tors. eta vs tors. theta energy: -60.999
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: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -744.989813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.989813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.989813 (E_RNA)
where:
Base-Base interactions energy: -398.561
where: short stacking energy: -220.791
Base-Backbone interact. energy: -2.416
local terms energy: -344.012467
where:
bonds (distance) C4'-P energy: -90.846
bonds (distance) P-C4' energy: -101.631
flat angles C4'-P-C4' energy: -85.213
flat angles P-C4'-P energy: -39.360
tors. eta vs tors. theta energy: -26.963
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: 248
Temperature: 1.350000
Total energy: -547.082714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.082714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.082714 (E_RNA)
where:
Base-Base interactions energy: -240.134
where: short stacking energy: -157.591
Base-Backbone interact. energy: -0.978
local terms energy: -305.970362
where:
bonds (distance) C4'-P energy: -89.371
bonds (distance) P-C4' energy: -95.817
flat angles C4'-P-C4' energy: -65.582
flat angles P-C4'-P energy: -55.838
tors. eta vs tors. theta energy: 0.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1852.668366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.668366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.668366 (E_RNA)
where:
Base-Base interactions energy: -1319.738
where: short stacking energy: -524.598
Base-Backbone interact. energy: -3.028
local terms energy: -529.901908
where:
bonds (distance) C4'-P energy: -100.294
bonds (distance) P-C4' energy: -102.233
flat angles C4'-P-C4' energy: -108.297
flat angles P-C4'-P energy: -80.085
tors. eta vs tors. theta energy: -138.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1836.070546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.070546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.070546 (E_RNA)
where:
Base-Base interactions energy: -1300.379
where: short stacking energy: -531.097
Base-Backbone interact. energy: -2.647
local terms energy: -533.044733
where:
bonds (distance) C4'-P energy: -92.208
bonds (distance) P-C4' energy: -99.021
flat angles C4'-P-C4' energy: -116.095
flat angles P-C4'-P energy: -77.244
tors. eta vs tors. theta energy: -148.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1699.481467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.481467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.481467 (E_RNA)
where:
Base-Base interactions energy: -1173.633
where: short stacking energy: -497.462
Base-Backbone interact. energy: -2.962
local terms energy: -522.885782
where:
bonds (distance) C4'-P energy: -86.662
bonds (distance) P-C4' energy: -104.664
flat angles C4'-P-C4' energy: -110.415
flat angles P-C4'-P energy: -78.151
tors. eta vs tors. theta energy: -142.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1633.110559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.110559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.110559 (E_RNA)
where:
Base-Base interactions energy: -1126.918
where: short stacking energy: -486.800
Base-Backbone interact. energy: -0.467
local terms energy: -505.725146
where:
bonds (distance) C4'-P energy: -91.363
bonds (distance) P-C4' energy: -105.830
flat angles C4'-P-C4' energy: -109.130
flat angles P-C4'-P energy: -68.390
tors. eta vs tors. theta energy: -131.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1587.006420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.006420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.006420 (E_RNA)
where:
Base-Base interactions energy: -1108.688
where: short stacking energy: -460.756
Base-Backbone interact. energy: 0.801
local terms energy: -479.120168
where:
bonds (distance) C4'-P energy: -86.119
bonds (distance) P-C4' energy: -92.806
flat angles C4'-P-C4' energy: -107.646
flat angles P-C4'-P energy: -73.930
tors. eta vs tors. theta energy: -118.620
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: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1405.062098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.062098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.062098 (E_RNA)
where:
Base-Base interactions energy: -951.834
where: short stacking energy: -400.962
Base-Backbone interact. energy: 1.914
local terms energy: -455.141951
where:
bonds (distance) C4'-P energy: -88.243
bonds (distance) P-C4' energy: -99.640
flat angles C4'-P-C4' energy: -104.639
flat angles P-C4'-P energy: -57.307
tors. eta vs tors. theta energy: -105.313
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: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1330.491984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.491984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.491984 (E_RNA)
where:
Base-Base interactions energy: -888.964
where: short stacking energy: -372.477
Base-Backbone interact. energy: -3.792
local terms energy: -437.735497
where:
bonds (distance) C4'-P energy: -92.193
bonds (distance) P-C4' energy: -93.699
flat angles C4'-P-C4' energy: -101.371
flat angles P-C4'-P energy: -63.702
tors. eta vs tors. theta energy: -86.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1034.694470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.694470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.694470 (E_RNA)
where:
Base-Base interactions energy: -672.588
where: short stacking energy: -297.750
Base-Backbone interact. energy: 0.481
local terms energy: -362.587778
where:
bonds (distance) C4'-P energy: -75.411
bonds (distance) P-C4' energy: -87.495
flat angles C4'-P-C4' energy: -91.042
flat angles P-C4'-P energy: -57.878
tors. eta vs tors. theta energy: -50.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -777.073062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.073062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.073062 (E_RNA)
where:
Base-Base interactions energy: -445.407
where: short stacking energy: -208.241
Base-Backbone interact. energy: -3.243
local terms energy: -328.422550
where:
bonds (distance) C4'-P energy: -71.211
bonds (distance) P-C4' energy: -97.123
flat angles C4'-P-C4' energy: -96.147
flat angles P-C4'-P energy: -48.276
tors. eta vs tors. theta energy: -15.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -543.099199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.099199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.099199 (E_RNA)
where:
Base-Base interactions energy: -249.639
where: short stacking energy: -153.506
Base-Backbone interact. energy: 2.611
local terms energy: -296.071432
where:
bonds (distance) C4'-P energy: -88.990
bonds (distance) P-C4' energy: -84.588
flat angles C4'-P-C4' energy: -89.534
flat angles P-C4'-P energy: -38.801
tors. eta vs tors. theta energy: 5.841
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: 1
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1872.199906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.199906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.199906 (E_RNA)
where:
Base-Base interactions energy: -1323.759
where: short stacking energy: -550.801
Base-Backbone interact. energy: -1.814
local terms energy: -546.627323
where:
bonds (distance) C4'-P energy: -90.549
bonds (distance) P-C4' energy: -113.960
flat angles C4'-P-C4' energy: -112.167
flat angles P-C4'-P energy: -78.334
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: 2, replica: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1836.782367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.782367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.782367 (E_RNA)
where:
Base-Base interactions energy: -1308.569
where: short stacking energy: -511.132
Base-Backbone interact. energy: -2.837
local terms energy: -525.377134
where:
bonds (distance) C4'-P energy: -97.050
bonds (distance) P-C4' energy: -97.776
flat angles C4'-P-C4' energy: -115.301
flat angles P-C4'-P energy: -75.967
tors. eta vs tors. theta energy: -139.283
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: 6
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1698.815307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.815307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.815307 (E_RNA)
where:
Base-Base interactions energy: -1162.703
where: short stacking energy: -495.262
Base-Backbone interact. energy: -1.480
local terms energy: -534.631820
where:
bonds (distance) C4'-P energy: -106.804
bonds (distance) P-C4' energy: -99.977
flat angles C4'-P-C4' energy: -111.441
flat angles P-C4'-P energy: -71.351
tors. eta vs tors. theta energy: -145.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1587.578348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.578348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.578348 (E_RNA)
where:
Base-Base interactions energy: -1104.634
where: short stacking energy: -472.067
Base-Backbone interact. energy: -2.494
local terms energy: -480.450184
where:
bonds (distance) C4'-P energy: -96.202
bonds (distance) P-C4' energy: -96.625
flat angles C4'-P-C4' energy: -98.888
flat angles P-C4'-P energy: -62.835
tors. eta vs tors. theta energy: -125.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1562.032750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.032750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.032750 (E_RNA)
where:
Base-Base interactions energy: -1081.819
where: short stacking energy: -458.864
Base-Backbone interact. energy: -2.718
local terms energy: -477.495427
where:
bonds (distance) C4'-P energy: -91.297
bonds (distance) P-C4' energy: -91.952
flat angles C4'-P-C4' energy: -109.316
flat angles P-C4'-P energy: -59.575
tors. eta vs tors. theta energy: -125.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1450.443448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.443448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.443448 (E_RNA)
where:
Base-Base interactions energy: -1016.983
where: short stacking energy: -440.520
Base-Backbone interact. energy: 5.061
local terms energy: -438.522197
where:
bonds (distance) C4'-P energy: -81.040
bonds (distance) P-C4' energy: -99.845
flat angles C4'-P-C4' energy: -103.024
flat angles P-C4'-P energy: -47.997
tors. eta vs tors. theta energy: -106.615
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: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1344.922746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.922746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.922746 (E_RNA)
where:
Base-Base interactions energy: -891.871
where: short stacking energy: -411.633
Base-Backbone interact. energy: -1.238
local terms energy: -451.814175
where:
bonds (distance) C4'-P energy: -81.599
bonds (distance) P-C4' energy: -100.966
flat angles C4'-P-C4' energy: -91.444
flat angles P-C4'-P energy: -73.912
tors. eta vs tors. theta energy: -103.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1016.492815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.492815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.492815 (E_RNA)
where:
Base-Base interactions energy: -647.019
where: short stacking energy: -309.708
Base-Backbone interact. energy: 0.264
local terms energy: -369.737675
where:
bonds (distance) C4'-P energy: -81.927
bonds (distance) P-C4' energy: -93.131
flat angles C4'-P-C4' energy: -71.364
flat angles P-C4'-P energy: -55.421
tors. eta vs tors. theta energy: -67.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -788.080442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.080442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.080442 (E_RNA)
where:
Base-Base interactions energy: -469.804
where: short stacking energy: -234.376
Base-Backbone interact. energy: 0.866
local terms energy: -319.142558
where:
bonds (distance) C4'-P energy: -72.080
bonds (distance) P-C4' energy: -84.058
flat angles C4'-P-C4' energy: -85.957
flat angles P-C4'-P energy: -51.924
tors. eta vs tors. theta energy: -25.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -551.786805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.786805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.786805 (E_RNA)
where:
Base-Base interactions energy: -260.356
where: short stacking energy: -147.512
Base-Backbone interact. energy: -1.874
local terms energy: -289.555951
where:
bonds (distance) C4'-P energy: -90.343
bonds (distance) P-C4' energy: -98.587
flat angles C4'-P-C4' energy: -63.366
flat angles P-C4'-P energy: -32.292
tors. eta vs tors. theta energy: -4.968
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: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1883.285188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.285188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.285188 (E_RNA)
where:
Base-Base interactions energy: -1316.960
where: short stacking energy: -572.320
Base-Backbone interact. energy: -3.734
local terms energy: -562.591134
where:
bonds (distance) C4'-P energy: -96.691
bonds (distance) P-C4' energy: -108.418
flat angles C4'-P-C4' energy: -113.692
flat angles P-C4'-P energy: -83.412
tors. eta vs tors. theta energy: -160.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1839.488348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.488348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.488348 (E_RNA)
where:
Base-Base interactions energy: -1283.858
where: short stacking energy: -520.983
Base-Backbone interact. energy: -1.350
local terms energy: -554.279707
where:
bonds (distance) C4'-P energy: -91.989
bonds (distance) P-C4' energy: -112.545
flat angles C4'-P-C4' energy: -123.109
flat angles P-C4'-P energy: -84.504
tors. eta vs tors. theta energy: -142.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1679.402642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.402642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.402642 (E_RNA)
where:
Base-Base interactions energy: -1182.875
where: short stacking energy: -500.004
Base-Backbone interact. energy: 1.231
local terms energy: -497.758378
where:
bonds (distance) C4'-P energy: -98.789
bonds (distance) P-C4' energy: -85.212
flat angles C4'-P-C4' energy: -102.326
flat angles P-C4'-P energy: -73.385
tors. eta vs tors. theta energy: -138.046
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: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1627.409245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.409245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.409245 (E_RNA)
where:
Base-Base interactions energy: -1155.912
where: short stacking energy: -467.530
Base-Backbone interact. energy: 0.406
local terms energy: -471.903543
where:
bonds (distance) C4'-P energy: -79.423
bonds (distance) P-C4' energy: -95.119
flat angles C4'-P-C4' energy: -112.637
flat angles P-C4'-P energy: -62.422
tors. eta vs tors. theta energy: -122.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1539.994462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.994462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.994462 (E_RNA)
where:
Base-Base interactions energy: -1063.190
where: short stacking energy: -438.111
Base-Backbone interact. energy: -3.119
local terms energy: -473.685062
where:
bonds (distance) C4'-P energy: -84.734
bonds (distance) P-C4' energy: -103.124
flat angles C4'-P-C4' energy: -109.777
flat angles P-C4'-P energy: -60.561
tors. eta vs tors. theta energy: -115.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1457.018337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.018337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.018337 (E_RNA)
where:
Base-Base interactions energy: -999.723
where: short stacking energy: -431.299
Base-Backbone interact. energy: -0.325
local terms energy: -456.969831
where:
bonds (distance) C4'-P energy: -89.157
bonds (distance) P-C4' energy: -85.418
flat angles C4'-P-C4' energy: -106.595
flat angles P-C4'-P energy: -62.095
tors. eta vs tors. theta energy: -113.705
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: 7, replica: 8
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1306.854034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.854034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.854034 (E_RNA)
where:
Base-Base interactions energy: -879.498
where: short stacking energy: -365.343
Base-Backbone interact. energy: 1.445
local terms energy: -428.800889
where:
bonds (distance) C4'-P energy: -71.063
bonds (distance) P-C4' energy: -93.779
flat angles C4'-P-C4' energy: -101.069
flat angles P-C4'-P energy: -78.069
tors. eta vs tors. theta energy: -84.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1038.003656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.003656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.003656 (E_RNA)
where:
Base-Base interactions energy: -655.094
where: short stacking energy: -318.055
Base-Backbone interact. energy: 1.895
local terms energy: -384.803980
where:
bonds (distance) C4'-P energy: -67.059
bonds (distance) P-C4' energy: -101.819
flat angles C4'-P-C4' energy: -91.288
flat angles P-C4'-P energy: -54.123
tors. eta vs tors. theta energy: -70.517
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: 251
Temperature: 1.300000
Total energy: -758.399562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.399562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.399562 (E_RNA)
where:
Base-Base interactions energy: -441.087
where: short stacking energy: -214.065
Base-Backbone interact. energy: -0.741
local terms energy: -316.571825
where:
bonds (distance) C4'-P energy: -79.445
bonds (distance) P-C4' energy: -102.931
flat angles C4'-P-C4' energy: -80.122
flat angles P-C4'-P energy: -44.273
tors. eta vs tors. theta energy: -9.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -571.117247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.117247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.117247 (E_RNA)
where:
Base-Base interactions energy: -267.479
where: short stacking energy: -162.063
Base-Backbone interact. energy: 1.570
local terms energy: -305.208090
where:
bonds (distance) C4'-P energy: -97.321
bonds (distance) P-C4' energy: -78.028
flat angles C4'-P-C4' energy: -76.857
flat angles P-C4'-P energy: -41.236
tors. eta vs tors. theta energy: -11.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1879.411527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.411527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.411527 (E_RNA)
where:
Base-Base interactions energy: -1335.562
where: short stacking energy: -554.095
Base-Backbone interact. energy: -3.618
local terms energy: -540.231263
where:
bonds (distance) C4'-P energy: -101.133
bonds (distance) P-C4' energy: -100.251
flat angles C4'-P-C4' energy: -108.598
flat angles P-C4'-P energy: -82.318
tors. eta vs tors. theta energy: -147.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1823.378803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.378803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.378803 (E_RNA)
where:
Base-Base interactions energy: -1280.891
where: short stacking energy: -524.211
Base-Backbone interact. energy: -2.618
local terms energy: -539.869873
where:
bonds (distance) C4'-P energy: -97.085
bonds (distance) P-C4' energy: -102.420
flat angles C4'-P-C4' energy: -119.502
flat angles P-C4'-P energy: -76.102
tors. eta vs tors. theta energy: -144.761
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: 3, replica: 6
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1701.232667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.232667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.232667 (E_RNA)
where:
Base-Base interactions energy: -1168.170
where: short stacking energy: -504.246
Base-Backbone interact. energy: -2.756
local terms energy: -530.307447
where:
bonds (distance) C4'-P energy: -104.890
bonds (distance) P-C4' energy: -96.464
flat angles C4'-P-C4' energy: -106.218
flat angles P-C4'-P energy: -81.404
tors. eta vs tors. theta energy: -141.331
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: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1631.455838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.455838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.455838 (E_RNA)
where:
Base-Base interactions energy: -1153.342
where: short stacking energy: -481.887
Base-Backbone interact. energy: -3.795
local terms energy: -474.318243
where:
bonds (distance) C4'-P energy: -83.791
bonds (distance) P-C4' energy: -96.903
flat angles C4'-P-C4' energy: -106.541
flat angles P-C4'-P energy: -70.174
tors. eta vs tors. theta energy: -116.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1576.465416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.465416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.465416 (E_RNA)
where:
Base-Base interactions energy: -1111.119
where: short stacking energy: -460.885
Base-Backbone interact. energy: -2.134
local terms energy: -463.212289
where:
bonds (distance) C4'-P energy: -77.213
bonds (distance) P-C4' energy: -91.016
flat angles C4'-P-C4' energy: -108.148
flat angles P-C4'-P energy: -70.553
tors. eta vs tors. theta energy: -116.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1391.493732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.493732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.493732 (E_RNA)
where:
Base-Base interactions energy: -936.261
where: short stacking energy: -422.933
Base-Backbone interact. energy: 0.118
local terms energy: -455.350911
where:
bonds (distance) C4'-P energy: -85.487
bonds (distance) P-C4' energy: -87.819
flat angles C4'-P-C4' energy: -109.917
flat angles P-C4'-P energy: -67.486
tors. eta vs tors. theta energy: -104.642
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: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1297.404235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.404235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.404235 (E_RNA)
where:
Base-Base interactions energy: -856.081
where: short stacking energy: -383.233
Base-Backbone interact. energy: -0.495
local terms energy: -440.827431
where:
bonds (distance) C4'-P energy: -94.662
bonds (distance) P-C4' energy: -101.012
flat angles C4'-P-C4' energy: -93.475
flat angles P-C4'-P energy: -65.364
tors. eta vs tors. theta energy: -86.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1033.396962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.396962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.396962 (E_RNA)
where:
Base-Base interactions energy: -668.074
where: short stacking energy: -276.171
Base-Backbone interact. energy: 0.251
local terms energy: -365.573546
where:
bonds (distance) C4'-P energy: -65.619
bonds (distance) P-C4' energy: -96.941
flat angles C4'-P-C4' energy: -89.891
flat angles P-C4'-P energy: -67.153
tors. eta vs tors. theta energy: -45.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -740.642800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.642800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.642800 (E_RNA)
where:
Base-Base interactions energy: -442.489
where: short stacking energy: -218.045
Base-Backbone interact. energy: -3.433
local terms energy: -294.719898
where:
bonds (distance) C4'-P energy: -71.404
bonds (distance) P-C4' energy: -88.710
flat angles C4'-P-C4' energy: -75.529
flat angles P-C4'-P energy: -47.234
tors. eta vs tors. theta energy: -11.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -590.949343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.949343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.949343 (E_RNA)
where:
Base-Base interactions energy: -318.156
where: short stacking energy: -179.602
Base-Backbone interact. energy: -0.202
local terms energy: -272.591570
where:
bonds (distance) C4'-P energy: -72.006
bonds (distance) P-C4' energy: -84.163
flat angles C4'-P-C4' energy: -55.640
flat angles P-C4'-P energy: -46.972
tors. eta vs tors. theta energy: -13.811
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: 1
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1880.773936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.773936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.773936 (E_RNA)
where:
Base-Base interactions energy: -1305.519
where: short stacking energy: -536.314
Base-Backbone interact. energy: -3.905
local terms energy: -571.350501
where:
bonds (distance) C4'-P energy: -99.334
bonds (distance) P-C4' energy: -114.659
flat angles C4'-P-C4' energy: -119.925
flat angles P-C4'-P energy: -79.464
tors. eta vs tors. theta energy: -157.968
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: 253
Temperature: 0.950000
Total energy: -1803.153551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.153551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.153551 (E_RNA)
where:
Base-Base interactions energy: -1280.948
where: short stacking energy: -521.062
Base-Backbone interact. energy: -3.635
local terms energy: -518.569738
where:
bonds (distance) C4'-P energy: -83.007
bonds (distance) P-C4' energy: -114.619
flat angles C4'-P-C4' energy: -106.607
flat angles P-C4'-P energy: -69.323
tors. eta vs tors. theta energy: -145.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1711.637098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.637098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.637098 (E_RNA)
where:
Base-Base interactions energy: -1187.194
where: short stacking energy: -506.708
Base-Backbone interact. energy: -1.700
local terms energy: -522.742918
where:
bonds (distance) C4'-P energy: -97.608
bonds (distance) P-C4' energy: -105.364
flat angles C4'-P-C4' energy: -107.703
flat angles P-C4'-P energy: -72.715
tors. eta vs tors. theta energy: -139.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1651.720997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.720997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.720997 (E_RNA)
where:
Base-Base interactions energy: -1143.517
where: short stacking energy: -497.305
Base-Backbone interact. energy: 0.080
local terms energy: -508.284584
where:
bonds (distance) C4'-P energy: -86.125
bonds (distance) P-C4' energy: -95.611
flat angles C4'-P-C4' energy: -117.972
flat angles P-C4'-P energy: -77.970
tors. eta vs tors. theta energy: -130.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1546.339026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.339026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.339026 (E_RNA)
where:
Base-Base interactions energy: -1063.837
where: short stacking energy: -451.908
Base-Backbone interact. energy: 0.919
local terms energy: -483.421260
where:
bonds (distance) C4'-P energy: -81.630
bonds (distance) P-C4' energy: -91.983
flat angles C4'-P-C4' energy: -108.746
flat angles P-C4'-P energy: -77.065
tors. eta vs tors. theta energy: -123.998
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: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1384.130595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.130595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.130595 (E_RNA)
where:
Base-Base interactions energy: -942.376
where: short stacking energy: -397.532
Base-Backbone interact. energy: 0.200
local terms energy: -441.955031
where:
bonds (distance) C4'-P energy: -83.519
bonds (distance) P-C4' energy: -97.025
flat angles C4'-P-C4' energy: -100.266
flat angles P-C4'-P energy: -59.245
tors. eta vs tors. theta energy: -101.901
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: 8
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1289.683142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.683142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.683142 (E_RNA)
where:
Base-Base interactions energy: -877.871
where: short stacking energy: -413.235
Base-Backbone interact. energy: 0.265
local terms energy: -412.076316
where:
bonds (distance) C4'-P energy: -76.763
bonds (distance) P-C4' energy: -99.368
flat angles C4'-P-C4' energy: -90.794
flat angles P-C4'-P energy: -53.175
tors. eta vs tors. theta energy: -91.977
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: 7
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1089.713196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.713196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.713196 (E_RNA)
where:
Base-Base interactions energy: -705.788
where: short stacking energy: -334.323
Base-Backbone interact. energy: 3.507
local terms energy: -387.432020
where:
bonds (distance) C4'-P energy: -77.833
bonds (distance) P-C4' energy: -84.232
flat angles C4'-P-C4' energy: -90.152
flat angles P-C4'-P energy: -51.476
tors. eta vs tors. theta energy: -83.739
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: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -799.387028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.387028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.387028 (E_RNA)
where:
Base-Base interactions energy: -490.337
where: short stacking energy: -231.505
Base-Backbone interact. energy: -1.125
local terms energy: -307.925668
where:
bonds (distance) C4'-P energy: -65.259
bonds (distance) P-C4' energy: -86.033
flat angles C4'-P-C4' energy: -81.029
flat angles P-C4'-P energy: -52.041
tors. eta vs tors. theta energy: -23.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -651.055285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.055285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.055285 (E_RNA)
where:
Base-Base interactions energy: -335.468
where: short stacking energy: -188.951
Base-Backbone interact. energy: -1.922
local terms energy: -313.665287
where:
bonds (distance) C4'-P energy: -83.308
bonds (distance) P-C4' energy: -90.551
flat angles C4'-P-C4' energy: -72.787
flat angles P-C4'-P energy: -47.118
tors. eta vs tors. theta energy: -19.902
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: 254
Temperature: 0.900000
Total energy: -1866.042675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.042675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.042675 (E_RNA)
where:
Base-Base interactions energy: -1324.132
where: short stacking energy: -549.346
Base-Backbone interact. energy: -0.625
local terms energy: -541.285626
where:
bonds (distance) C4'-P energy: -97.347
bonds (distance) P-C4' energy: -93.809
flat angles C4'-P-C4' energy: -119.233
flat angles P-C4'-P energy: -76.318
tors. eta vs tors. theta energy: -154.579
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: 254
Temperature: 0.950000
Total energy: -1855.456118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.456118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.456118 (E_RNA)
where:
Base-Base interactions energy: -1323.422
where: short stacking energy: -554.600
Base-Backbone interact. energy: -0.899
local terms energy: -531.135110
where:
bonds (distance) C4'-P energy: -94.868
bonds (distance) P-C4' energy: -91.618
flat angles C4'-P-C4' energy: -116.175
flat angles P-C4'-P energy: -74.116
tors. eta vs tors. theta energy: -154.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1694.131847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.131847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.131847 (E_RNA)
where:
Base-Base interactions energy: -1199.689
where: short stacking energy: -490.553
Base-Backbone interact. energy: -0.514
local terms energy: -493.928464
where:
bonds (distance) C4'-P energy: -83.424
bonds (distance) P-C4' energy: -98.614
flat angles C4'-P-C4' energy: -106.790
flat angles P-C4'-P energy: -64.572
tors. eta vs tors. theta energy: -140.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1642.291987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.291987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.291987 (E_RNA)
where:
Base-Base interactions energy: -1140.609
where: short stacking energy: -468.421
Base-Backbone interact. energy: -1.553
local terms energy: -500.129017
where:
bonds (distance) C4'-P energy: -90.257
bonds (distance) P-C4' energy: -101.664
flat angles C4'-P-C4' energy: -95.759
flat angles P-C4'-P energy: -75.152
tors. eta vs tors. theta energy: -137.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1526.181446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.181446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.181446 (E_RNA)
where:
Base-Base interactions energy: -1055.188
where: short stacking energy: -460.517
Base-Backbone interact. energy: -0.515
local terms energy: -470.478442
where:
bonds (distance) C4'-P energy: -95.712
bonds (distance) P-C4' energy: -90.416
flat angles C4'-P-C4' energy: -101.984
flat angles P-C4'-P energy: -72.660
tors. eta vs tors. theta energy: -109.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1388.487024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.487024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.487024 (E_RNA)
where:
Base-Base interactions energy: -958.887
where: short stacking energy: -410.947
Base-Backbone interact. energy: 0.230
local terms energy: -429.829631
where:
bonds (distance) C4'-P energy: -81.528
bonds (distance) P-C4' energy: -95.090
flat angles C4'-P-C4' energy: -92.256
flat angles P-C4'-P energy: -60.959
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: 7, replica: 8
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1338.266969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.266969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.266969 (E_RNA)
where:
Base-Base interactions energy: -893.012
where: short stacking energy: -396.371
Base-Backbone interact. energy: 3.190
local terms energy: -448.445535
where:
bonds (distance) C4'-P energy: -91.156
bonds (distance) P-C4' energy: -94.687
flat angles C4'-P-C4' energy: -94.254
flat angles P-C4'-P energy: -71.417
tors. eta vs tors. theta energy: -96.931
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: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1038.585515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.585515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.585515 (E_RNA)
where:
Base-Base interactions energy: -667.435
where: short stacking energy: -287.742
Base-Backbone interact. energy: 0.007
local terms energy: -371.157398
where:
bonds (distance) C4'-P energy: -81.204
bonds (distance) P-C4' energy: -98.910
flat angles C4'-P-C4' energy: -81.624
flat angles P-C4'-P energy: -52.013
tors. eta vs tors. theta energy: -57.407
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: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -794.297958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.297958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.297958 (E_RNA)
where:
Base-Base interactions energy: -474.763
where: short stacking energy: -200.237
Base-Backbone interact. energy: -1.323
local terms energy: -318.211576
where:
bonds (distance) C4'-P energy: -80.059
bonds (distance) P-C4' energy: -95.862
flat angles C4'-P-C4' energy: -79.565
flat angles P-C4'-P energy: -37.466
tors. eta vs tors. theta energy: -25.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -585.821836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.821836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.821836 (E_RNA)
where:
Base-Base interactions energy: -290.279
where: short stacking energy: -168.430
Base-Backbone interact. energy: 0.919
local terms energy: -296.461755
where:
bonds (distance) C4'-P energy: -95.395
bonds (distance) P-C4' energy: -87.051
flat angles C4'-P-C4' energy: -66.602
flat angles P-C4'-P energy: -42.135
tors. eta vs tors. theta energy: -5.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1876.062724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.062724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.062724 (E_RNA)
where:
Base-Base interactions energy: -1326.197
where: short stacking energy: -550.490
Base-Backbone interact. energy: 0.714
local terms energy: -550.580250
where:
bonds (distance) C4'-P energy: -96.869
bonds (distance) P-C4' energy: -111.465
flat angles C4'-P-C4' energy: -115.664
flat angles P-C4'-P energy: -70.782
tors. eta vs tors. theta energy: -155.800
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: 255
Temperature: 0.950000
Total energy: -1846.951964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.951964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.951964 (E_RNA)
where:
Base-Base interactions energy: -1300.034
where: short stacking energy: -535.938
Base-Backbone interact. energy: -2.298
local terms energy: -544.619730
where:
bonds (distance) C4'-P energy: -105.425
bonds (distance) P-C4' energy: -102.166
flat angles C4'-P-C4' energy: -117.160
flat angles P-C4'-P energy: -62.926
tors. eta vs tors. theta energy: -156.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1694.538947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.538947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.538947 (E_RNA)
where:
Base-Base interactions energy: -1160.551
where: short stacking energy: -486.354
Base-Backbone interact. energy: -3.371
local terms energy: -530.616587
where:
bonds (distance) C4'-P energy: -100.780
bonds (distance) P-C4' energy: -103.733
flat angles C4'-P-C4' energy: -106.774
flat angles P-C4'-P energy: -75.580
tors. eta vs tors. theta energy: -143.749
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: 4, replica: 6
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1673.160002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.160002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.160002 (E_RNA)
where:
Base-Base interactions energy: -1162.623
where: short stacking energy: -506.356
Base-Backbone interact. energy: -1.737
local terms energy: -508.800039
where:
bonds (distance) C4'-P energy: -83.251
bonds (distance) P-C4' energy: -111.270
flat angles C4'-P-C4' energy: -99.835
flat angles P-C4'-P energy: -74.466
tors. eta vs tors. theta energy: -139.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1550.488638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.488638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.488638 (E_RNA)
where:
Base-Base interactions energy: -1080.365
where: short stacking energy: -467.215
Base-Backbone interact. energy: -0.944
local terms energy: -469.180298
where:
bonds (distance) C4'-P energy: -82.704
bonds (distance) P-C4' energy: -98.640
flat angles C4'-P-C4' energy: -98.643
flat angles P-C4'-P energy: -72.251
tors. eta vs tors. theta energy: -116.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1461.233217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.233217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.233217 (E_RNA)
where:
Base-Base interactions energy: -974.913
where: short stacking energy: -420.358
Base-Backbone interact. energy: -1.192
local terms energy: -485.128943
where:
bonds (distance) C4'-P energy: -83.884
bonds (distance) P-C4' energy: -108.773
flat angles C4'-P-C4' energy: -100.217
flat angles P-C4'-P energy: -66.097
tors. eta vs tors. theta energy: -126.159
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: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1302.633545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.633545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.633545 (E_RNA)
where:
Base-Base interactions energy: -889.625
where: short stacking energy: -395.768
Base-Backbone interact. energy: 0.778
local terms energy: -413.786454
where:
bonds (distance) C4'-P energy: -67.494
bonds (distance) P-C4' energy: -76.529
flat angles C4'-P-C4' energy: -93.156
flat angles P-C4'-P energy: -80.628
tors. eta vs tors. theta energy: -95.979
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: 7
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1066.736985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.736985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.736985 (E_RNA)
where:
Base-Base interactions energy: -705.517
where: short stacking energy: -316.781
Base-Backbone interact. energy: 0.965
local terms energy: -362.184804
where:
bonds (distance) C4'-P energy: -82.687
bonds (distance) P-C4' energy: -89.116
flat angles C4'-P-C4' energy: -90.810
flat angles P-C4'-P energy: -45.674
tors. eta vs tors. theta energy: -53.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -855.503407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.503407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.503407 (E_RNA)
where:
Base-Base interactions energy: -505.703
where: short stacking energy: -235.950
Base-Backbone interact. energy: -2.422
local terms energy: -347.378277
where:
bonds (distance) C4'-P energy: -90.630
bonds (distance) P-C4' energy: -100.895
flat angles C4'-P-C4' energy: -73.676
flat angles P-C4'-P energy: -45.651
tors. eta vs tors. theta energy: -36.526
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: 255
Temperature: 1.350000
Total energy: -610.931331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.931331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.931331 (E_RNA)
where:
Base-Base interactions energy: -290.621
where: short stacking energy: -160.052
Base-Backbone interact. energy: -2.306
local terms energy: -318.003518
where:
bonds (distance) C4'-P energy: -90.357
bonds (distance) P-C4' energy: -89.794
flat angles C4'-P-C4' energy: -76.441
flat angles P-C4'-P energy: -61.434
tors. eta vs tors. theta energy: 0.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1890.137767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.137767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.137767 (E_RNA)
where:
Base-Base interactions energy: -1313.436
where: short stacking energy: -537.326
Base-Backbone interact. energy: 0.906
local terms energy: -577.608204
where:
bonds (distance) C4'-P energy: -109.218
bonds (distance) P-C4' energy: -107.684
flat angles C4'-P-C4' energy: -123.066
flat angles P-C4'-P energy: -81.222
tors. eta vs tors. theta energy: -156.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1828.363798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.363798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.363798 (E_RNA)
where:
Base-Base interactions energy: -1259.565
where: short stacking energy: -509.767
Base-Backbone interact. energy: -2.593
local terms energy: -566.205456
where:
bonds (distance) C4'-P energy: -97.611
bonds (distance) P-C4' energy: -110.633
flat angles C4'-P-C4' energy: -122.478
flat angles P-C4'-P energy: -85.397
tors. eta vs tors. theta energy: -150.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1719.898754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.898754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.898754 (E_RNA)
where:
Base-Base interactions energy: -1191.119
where: short stacking energy: -473.691
Base-Backbone interact. energy: -3.879
local terms energy: -524.899957
where:
bonds (distance) C4'-P energy: -101.940
bonds (distance) P-C4' energy: -101.691
flat angles C4'-P-C4' energy: -114.832
flat angles P-C4'-P energy: -73.997
tors. eta vs tors. theta energy: -132.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1670.252396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.252396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.252396 (E_RNA)
where:
Base-Base interactions energy: -1157.546
where: short stacking energy: -481.981
Base-Backbone interact. energy: 1.022
local terms energy: -513.728239
where:
bonds (distance) C4'-P energy: -93.446
bonds (distance) P-C4' energy: -94.717
flat angles C4'-P-C4' energy: -121.940
flat angles P-C4'-P energy: -72.118
tors. eta vs tors. theta energy: -131.507
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: 256
Temperature: 1.100000
Total energy: -1515.783356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.783356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.783356 (E_RNA)
where:
Base-Base interactions energy: -1032.419
where: short stacking energy: -437.431
Base-Backbone interact. energy: -1.161
local terms energy: -482.203139
where:
bonds (distance) C4'-P energy: -94.632
bonds (distance) P-C4' energy: -101.569
flat angles C4'-P-C4' energy: -106.703
flat angles P-C4'-P energy: -62.052
tors. eta vs tors. theta energy: -117.247
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: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1521.066876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.066876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.066876 (E_RNA)
where:
Base-Base interactions energy: -1049.601
where: short stacking energy: -451.732
Base-Backbone interact. energy: -1.312
local terms energy: -470.153722
where:
bonds (distance) C4'-P energy: -85.997
bonds (distance) P-C4' energy: -97.144
flat angles C4'-P-C4' energy: -111.776
flat angles P-C4'-P energy: -59.748
tors. eta vs tors. theta energy: -115.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1312.052043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.052043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.052043 (E_RNA)
where:
Base-Base interactions energy: -882.012
where: short stacking energy: -373.416
Base-Backbone interact. energy: -1.613
local terms energy: -428.427022
where:
bonds (distance) C4'-P energy: -87.745
bonds (distance) P-C4' energy: -86.656
flat angles C4'-P-C4' energy: -103.061
flat angles P-C4'-P energy: -57.936
tors. eta vs tors. theta energy: -93.028
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: 7
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1036.937358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.937358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.937358 (E_RNA)
where:
Base-Base interactions energy: -686.998
where: short stacking energy: -298.954
Base-Backbone interact. energy: 4.058
local terms energy: -353.997741
where:
bonds (distance) C4'-P energy: -86.438
bonds (distance) P-C4' energy: -89.819
flat angles C4'-P-C4' energy: -87.965
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -49.462
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: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -833.978787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.978787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.978787 (E_RNA)
where:
Base-Base interactions energy: -482.120
where: short stacking energy: -217.439
Base-Backbone interact. energy: -0.333
local terms energy: -351.526216
where:
bonds (distance) C4'-P energy: -77.798
bonds (distance) P-C4' energy: -100.414
flat angles C4'-P-C4' energy: -88.969
flat angles P-C4'-P energy: -54.753
tors. eta vs tors. theta energy: -29.591
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: 256
Temperature: 1.350000
Total energy: -577.522790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.522790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.522790 (E_RNA)
where:
Base-Base interactions energy: -295.288
where: short stacking energy: -158.573
Base-Backbone interact. energy: 0.929
local terms energy: -283.163981
where:
bonds (distance) C4'-P energy: -86.599
bonds (distance) P-C4' energy: -91.575
flat angles C4'-P-C4' energy: -64.720
flat angles P-C4'-P energy: -42.588
tors. eta vs tors. theta energy: 2.318
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: 2
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1886.378000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.378000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.378000 (E_RNA)
where:
Base-Base interactions energy: -1327.249
where: short stacking energy: -538.979
Base-Backbone interact. energy: -1.787
local terms energy: -557.341913
where:
bonds (distance) C4'-P energy: -102.203
bonds (distance) P-C4' energy: -94.626
flat angles C4'-P-C4' energy: -125.659
flat angles P-C4'-P energy: -92.621
tors. eta vs tors. theta energy: -142.233
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: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1841.390981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.390981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.390981 (E_RNA)
where:
Base-Base interactions energy: -1297.461
where: short stacking energy: -518.398
Base-Backbone interact. energy: -4.566
local terms energy: -539.364369
where:
bonds (distance) C4'-P energy: -99.123
bonds (distance) P-C4' energy: -103.961
flat angles C4'-P-C4' energy: -119.978
flat angles P-C4'-P energy: -71.494
tors. eta vs tors. theta energy: -144.808
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: 6
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1745.549973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.549973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.549973 (E_RNA)
where:
Base-Base interactions energy: -1222.961
where: short stacking energy: -506.060
Base-Backbone interact. energy: -4.105
local terms energy: -518.484052
where:
bonds (distance) C4'-P energy: -89.642
bonds (distance) P-C4' energy: -104.587
flat angles C4'-P-C4' energy: -117.811
flat angles P-C4'-P energy: -75.913
tors. eta vs tors. theta energy: -130.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1628.777517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.777517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.777517 (E_RNA)
where:
Base-Base interactions energy: -1109.894
where: short stacking energy: -462.105
Base-Backbone interact. energy: 0.207
local terms energy: -519.090263
where:
bonds (distance) C4'-P energy: -90.956
bonds (distance) P-C4' energy: -103.483
flat angles C4'-P-C4' energy: -118.994
flat angles P-C4'-P energy: -87.648
tors. eta vs tors. theta energy: -118.009
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: 257
Temperature: 1.100000
Total energy: -1495.376551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.376551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.376551 (E_RNA)
where:
Base-Base interactions energy: -1020.388
where: short stacking energy: -447.695
Base-Backbone interact. energy: -0.113
local terms energy: -474.875912
where:
bonds (distance) C4'-P energy: -105.693
bonds (distance) P-C4' energy: -83.905
flat angles C4'-P-C4' energy: -108.729
flat angles P-C4'-P energy: -68.076
tors. eta vs tors. theta energy: -108.473
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: 4
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1454.498008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.498008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.498008 (E_RNA)
where:
Base-Base interactions energy: -1007.794
where: short stacking energy: -418.748
Base-Backbone interact. energy: 4.132
local terms energy: -450.835741
where:
bonds (distance) C4'-P energy: -91.972
bonds (distance) P-C4' energy: -91.531
flat angles C4'-P-C4' energy: -102.318
flat angles P-C4'-P energy: -60.401
tors. eta vs tors. theta energy: -104.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1295.327478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.327478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.327478 (E_RNA)
where:
Base-Base interactions energy: -885.145
where: short stacking energy: -397.547
Base-Backbone interact. energy: 1.333
local terms energy: -411.514880
where:
bonds (distance) C4'-P energy: -72.429
bonds (distance) P-C4' energy: -85.027
flat angles C4'-P-C4' energy: -94.611
flat angles P-C4'-P energy: -66.602
tors. eta vs tors. theta energy: -92.846
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: 8, replica: 7
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1079.412770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.412770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.412770 (E_RNA)
where:
Base-Base interactions energy: -683.111
where: short stacking energy: -324.481
Base-Backbone interact. energy: 0.055
local terms energy: -396.356462
where:
bonds (distance) C4'-P energy: -88.175
bonds (distance) P-C4' energy: -87.782
flat angles C4'-P-C4' energy: -91.631
flat angles P-C4'-P energy: -62.827
tors. eta vs tors. theta energy: -65.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -751.949629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.949629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.949629 (E_RNA)
where:
Base-Base interactions energy: -419.532
where: short stacking energy: -214.753
Base-Backbone interact. energy: 0.481
local terms energy: -332.898976
where:
bonds (distance) C4'-P energy: -102.917
bonds (distance) P-C4' energy: -82.587
flat angles C4'-P-C4' energy: -70.667
flat angles P-C4'-P energy: -51.987
tors. eta vs tors. theta energy: -24.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -592.344861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.344861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.344861 (E_RNA)
where:
Base-Base interactions energy: -323.451
where: short stacking energy: -152.146
Base-Backbone interact. energy: 2.935
local terms energy: -271.829445
where:
bonds (distance) C4'-P energy: -74.753
bonds (distance) P-C4' energy: -86.281
flat angles C4'-P-C4' energy: -71.838
flat angles P-C4'-P energy: -56.522
tors. eta vs tors. theta energy: 17.565
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: 258
Temperature: 0.900000
Total energy: -1877.160912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.160912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.160912 (E_RNA)
where:
Base-Base interactions energy: -1302.327
where: short stacking energy: -531.112
Base-Backbone interact. energy: -1.923
local terms energy: -572.910403
where:
bonds (distance) C4'-P energy: -115.696
bonds (distance) P-C4' energy: -110.123
flat angles C4'-P-C4' energy: -121.892
flat angles P-C4'-P energy: -76.882
tors. eta vs tors. theta energy: -148.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1852.390859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.390859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.390859 (E_RNA)
where:
Base-Base interactions energy: -1314.942
where: short stacking energy: -546.097
Base-Backbone interact. energy: -1.724
local terms energy: -535.724630
where:
bonds (distance) C4'-P energy: -91.265
bonds (distance) P-C4' energy: -96.310
flat angles C4'-P-C4' energy: -120.831
flat angles P-C4'-P energy: -76.493
tors. eta vs tors. theta energy: -150.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1692.992101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.992101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.992101 (E_RNA)
where:
Base-Base interactions energy: -1176.202
where: short stacking energy: -478.559
Base-Backbone interact. energy: -1.306
local terms energy: -515.484081
where:
bonds (distance) C4'-P energy: -117.755
bonds (distance) P-C4' energy: -95.351
flat angles C4'-P-C4' energy: -107.613
flat angles P-C4'-P energy: -72.914
tors. eta vs tors. theta energy: -121.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1625.825621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.825621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.825621 (E_RNA)
where:
Base-Base interactions energy: -1142.814
where: short stacking energy: -474.867
Base-Backbone interact. energy: 1.405
local terms energy: -484.415973
where:
bonds (distance) C4'-P energy: -89.416
bonds (distance) P-C4' energy: -83.814
flat angles C4'-P-C4' energy: -100.914
flat angles P-C4'-P energy: -79.519
tors. eta vs tors. theta energy: -130.754
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: 5, replica: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1537.938267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.938267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.938267 (E_RNA)
where:
Base-Base interactions energy: -1051.298
where: short stacking energy: -443.317
Base-Backbone interact. energy: -1.466
local terms energy: -485.174194
where:
bonds (distance) C4'-P energy: -97.554
bonds (distance) P-C4' energy: -102.359
flat angles C4'-P-C4' energy: -105.971
flat angles P-C4'-P energy: -64.242
tors. eta vs tors. theta energy: -115.048
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: 4
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1516.078896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.078896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.078896 (E_RNA)
where:
Base-Base interactions energy: -1052.584
where: short stacking energy: -435.139
Base-Backbone interact. energy: -0.642
local terms energy: -462.852396
where:
bonds (distance) C4'-P energy: -87.770
bonds (distance) P-C4' energy: -95.507
flat angles C4'-P-C4' energy: -99.391
flat angles P-C4'-P energy: -62.978
tors. eta vs tors. theta energy: -117.206
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: 8
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1293.114596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.114596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.114596 (E_RNA)
where:
Base-Base interactions energy: -867.780
where: short stacking energy: -352.789
Base-Backbone interact. energy: -1.398
local terms energy: -423.937104
where:
bonds (distance) C4'-P energy: -100.409
bonds (distance) P-C4' energy: -97.049
flat angles C4'-P-C4' energy: -91.920
flat angles P-C4'-P energy: -51.826
tors. eta vs tors. theta energy: -82.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1121.090726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.090726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.090726 (E_RNA)
where:
Base-Base interactions energy: -739.205
where: short stacking energy: -304.849
Base-Backbone interact. energy: 4.000
local terms energy: -385.886048
where:
bonds (distance) C4'-P energy: -96.780
bonds (distance) P-C4' energy: -95.479
flat angles C4'-P-C4' energy: -92.749
flat angles P-C4'-P energy: -49.138
tors. eta vs tors. theta energy: -51.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -782.133802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.133802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.133802 (E_RNA)
where:
Base-Base interactions energy: -472.207
where: short stacking energy: -247.965
Base-Backbone interact. energy: 2.130
local terms energy: -312.056747
where:
bonds (distance) C4'-P energy: -74.426
bonds (distance) P-C4' energy: -70.972
flat angles C4'-P-C4' energy: -80.520
flat angles P-C4'-P energy: -60.627
tors. eta vs tors. theta energy: -25.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -550.013612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.013612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.013612 (E_RNA)
where:
Base-Base interactions energy: -260.775
where: short stacking energy: -151.849
Base-Backbone interact. energy: -2.433
local terms energy: -286.805817
where:
bonds (distance) C4'-P energy: -89.895
bonds (distance) P-C4' energy: -87.816
flat angles C4'-P-C4' energy: -74.953
flat angles P-C4'-P energy: -40.592
tors. eta vs tors. theta energy: 6.449
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: 259
Temperature: 0.900000
Total energy: -1878.954339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.954339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.954339 (E_RNA)
where:
Base-Base interactions energy: -1317.406
where: short stacking energy: -543.333
Base-Backbone interact. energy: -6.769
local terms energy: -554.778939
where:
bonds (distance) C4'-P energy: -105.324
bonds (distance) P-C4' energy: -105.001
flat angles C4'-P-C4' energy: -120.889
flat angles P-C4'-P energy: -74.307
tors. eta vs tors. theta energy: -149.259
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: 259
Temperature: 0.950000
Total energy: -1843.624285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.624285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.624285 (E_RNA)
where:
Base-Base interactions energy: -1298.966
where: short stacking energy: -542.049
Base-Backbone interact. energy: -0.624
local terms energy: -544.034732
where:
bonds (distance) C4'-P energy: -91.622
bonds (distance) P-C4' energy: -110.667
flat angles C4'-P-C4' energy: -119.843
flat angles P-C4'-P energy: -72.580
tors. eta vs tors. theta energy: -149.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1698.669254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.669254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.669254 (E_RNA)
where:
Base-Base interactions energy: -1189.955
where: short stacking energy: -478.703
Base-Backbone interact. energy: 2.867
local terms energy: -511.580976
where:
bonds (distance) C4'-P energy: -93.403
bonds (distance) P-C4' energy: -98.673
flat angles C4'-P-C4' energy: -117.414
flat angles P-C4'-P energy: -74.331
tors. eta vs tors. theta energy: -127.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1637.191118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.191118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.191118 (E_RNA)
where:
Base-Base interactions energy: -1127.880
where: short stacking energy: -485.038
Base-Backbone interact. energy: -2.833
local terms energy: -506.478149
where:
bonds (distance) C4'-P energy: -87.958
bonds (distance) P-C4' energy: -99.202
flat angles C4'-P-C4' energy: -117.403
flat angles P-C4'-P energy: -62.194
tors. eta vs tors. theta energy: -139.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1493.963496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.963496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.963496 (E_RNA)
where:
Base-Base interactions energy: -1039.875
where: short stacking energy: -453.873
Base-Backbone interact. energy: -1.639
local terms energy: -452.449465
where:
bonds (distance) C4'-P energy: -86.623
bonds (distance) P-C4' energy: -88.763
flat angles C4'-P-C4' energy: -101.208
flat angles P-C4'-P energy: -67.029
tors. eta vs tors. theta energy: -108.826
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: 4
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1492.843959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.843959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.843959 (E_RNA)
where:
Base-Base interactions energy: -993.912
where: short stacking energy: -428.652
Base-Backbone interact. energy: -1.364
local terms energy: -497.567522
where:
bonds (distance) C4'-P energy: -90.137
bonds (distance) P-C4' energy: -105.722
flat angles C4'-P-C4' energy: -113.966
flat angles P-C4'-P energy: -70.040
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: 7, replica: 8
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1301.193230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.193230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.193230 (E_RNA)
where:
Base-Base interactions energy: -879.452
where: short stacking energy: -386.443
Base-Backbone interact. energy: -2.627
local terms energy: -419.114439
where:
bonds (distance) C4'-P energy: -86.357
bonds (distance) P-C4' energy: -89.673
flat angles C4'-P-C4' energy: -101.191
flat angles P-C4'-P energy: -55.211
tors. eta vs tors. theta energy: -86.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1039.283481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.283481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.283481 (E_RNA)
where:
Base-Base interactions energy: -687.615
where: short stacking energy: -297.247
Base-Backbone interact. energy: 4.658
local terms energy: -356.325612
where:
bonds (distance) C4'-P energy: -68.749
bonds (distance) P-C4' energy: -103.855
flat angles C4'-P-C4' energy: -94.032
flat angles P-C4'-P energy: -48.700
tors. eta vs tors. theta energy: -40.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -820.236902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.236902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.236902 (E_RNA)
where:
Base-Base interactions energy: -466.278
where: short stacking energy: -243.949
Base-Backbone interact. energy: -1.598
local terms energy: -352.361032
where:
bonds (distance) C4'-P energy: -91.635
bonds (distance) P-C4' energy: -109.187
flat angles C4'-P-C4' energy: -74.726
flat angles P-C4'-P energy: -39.325
tors. eta vs tors. theta energy: -37.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -549.941113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.941113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.941113 (E_RNA)
where:
Base-Base interactions energy: -273.016
where: short stacking energy: -169.647
Base-Backbone interact. energy: 5.886
local terms energy: -282.811493
where:
bonds (distance) C4'-P energy: -81.776
bonds (distance) P-C4' energy: -74.882
flat angles C4'-P-C4' energy: -75.827
flat angles P-C4'-P energy: -51.468
tors. eta vs tors. theta energy: 1.141
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: 260
Temperature: 0.900000
Total energy: -1861.914584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.914584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.914584 (E_RNA)
where:
Base-Base interactions energy: -1326.959
where: short stacking energy: -541.397
Base-Backbone interact. energy: -0.561
local terms energy: -534.393795
where:
bonds (distance) C4'-P energy: -99.227
bonds (distance) P-C4' energy: -100.944
flat angles C4'-P-C4' energy: -115.044
flat angles P-C4'-P energy: -61.650
tors. eta vs tors. theta energy: -157.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1827.205690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.205690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.205690 (E_RNA)
where:
Base-Base interactions energy: -1292.210
where: short stacking energy: -527.450
Base-Backbone interact. energy: -2.275
local terms energy: -532.720093
where:
bonds (distance) C4'-P energy: -105.247
bonds (distance) P-C4' energy: -99.276
flat angles C4'-P-C4' energy: -109.159
flat angles P-C4'-P energy: -74.106
tors. eta vs tors. theta energy: -144.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1695.054813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.054813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.054813 (E_RNA)
where:
Base-Base interactions energy: -1202.021
where: short stacking energy: -475.570
Base-Backbone interact. energy: -1.040
local terms energy: -491.993791
where:
bonds (distance) C4'-P energy: -90.361
bonds (distance) P-C4' energy: -95.882
flat angles C4'-P-C4' energy: -98.465
flat angles P-C4'-P energy: -76.811
tors. eta vs tors. theta energy: -130.475
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: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1683.149166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.149166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.149166 (E_RNA)
where:
Base-Base interactions energy: -1174.482
where: short stacking energy: -482.536
Base-Backbone interact. energy: 0.823
local terms energy: -509.489817
where:
bonds (distance) C4'-P energy: -93.923
bonds (distance) P-C4' energy: -102.841
flat angles C4'-P-C4' energy: -113.496
flat angles P-C4'-P energy: -63.462
tors. eta vs tors. theta energy: -135.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1530.012956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.012956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.012956 (E_RNA)
where:
Base-Base interactions energy: -1026.832
where: short stacking energy: -456.701
Base-Backbone interact. energy: -0.744
local terms energy: -502.436433
where:
bonds (distance) C4'-P energy: -94.389
bonds (distance) P-C4' energy: -97.478
flat angles C4'-P-C4' energy: -107.863
flat angles P-C4'-P energy: -74.713
tors. eta vs tors. theta energy: -127.994
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: 3
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1396.268719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.268719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.268719 (E_RNA)
where:
Base-Base interactions energy: -972.795
where: short stacking energy: -403.219
Base-Backbone interact. energy: -3.546
local terms energy: -419.928048
where:
bonds (distance) C4'-P energy: -89.870
bonds (distance) P-C4' energy: -87.563
flat angles C4'-P-C4' energy: -94.349
flat angles P-C4'-P energy: -64.504
tors. eta vs tors. theta energy: -83.642
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: 8
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1307.998695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.998695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.998695 (E_RNA)
where:
Base-Base interactions energy: -882.585
where: short stacking energy: -377.579
Base-Backbone interact. energy: -1.234
local terms energy: -424.179124
where:
bonds (distance) C4'-P energy: -101.152
bonds (distance) P-C4' energy: -74.068
flat angles C4'-P-C4' energy: -109.843
flat angles P-C4'-P energy: -54.142
tors. eta vs tors. theta energy: -84.973
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: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1054.940486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.940486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.940486 (E_RNA)
where:
Base-Base interactions energy: -694.314
where: short stacking energy: -317.948
Base-Backbone interact. energy: -1.186
local terms energy: -359.440816
where:
bonds (distance) C4'-P energy: -84.230
bonds (distance) P-C4' energy: -77.870
flat angles C4'-P-C4' energy: -104.037
flat angles P-C4'-P energy: -41.949
tors. eta vs tors. theta energy: -51.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -777.944987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.944987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.944987 (E_RNA)
where:
Base-Base interactions energy: -450.795
where: short stacking energy: -234.011
Base-Backbone interact. energy: 0.408
local terms energy: -327.557744
where:
bonds (distance) C4'-P energy: -66.381
bonds (distance) P-C4' energy: -87.413
flat angles C4'-P-C4' energy: -85.953
flat angles P-C4'-P energy: -66.217
tors. eta vs tors. theta energy: -21.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -549.798489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.798489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.798489 (E_RNA)
where:
Base-Base interactions energy: -256.795
where: short stacking energy: -149.361
Base-Backbone interact. energy: -0.811
local terms energy: -292.192495
where:
bonds (distance) C4'-P energy: -94.194
bonds (distance) P-C4' energy: -85.769
flat angles C4'-P-C4' energy: -83.238
flat angles P-C4'-P energy: -44.398
tors. eta vs tors. theta energy: 15.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1874.218488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.218488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.218488 (E_RNA)
where:
Base-Base interactions energy: -1311.708
where: short stacking energy: -531.866
Base-Backbone interact. energy: -1.626
local terms energy: -560.884741
where:
bonds (distance) C4'-P energy: -107.808
bonds (distance) P-C4' energy: -103.536
flat angles C4'-P-C4' energy: -116.674
flat angles P-C4'-P energy: -80.435
tors. eta vs tors. theta energy: -152.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1803.636379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.636379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.636379 (E_RNA)
where:
Base-Base interactions energy: -1243.972
where: short stacking energy: -523.085
Base-Backbone interact. energy: -2.364
local terms energy: -557.300167
where:
bonds (distance) C4'-P energy: -101.733
bonds (distance) P-C4' energy: -111.454
flat angles C4'-P-C4' energy: -113.005
flat angles P-C4'-P energy: -77.547
tors. eta vs tors. theta energy: -153.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1729.551527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.551527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.551527 (E_RNA)
where:
Base-Base interactions energy: -1209.471
where: short stacking energy: -474.773
Base-Backbone interact. energy: 0.172
local terms energy: -520.252701
where:
bonds (distance) C4'-P energy: -96.796
bonds (distance) P-C4' energy: -100.449
flat angles C4'-P-C4' energy: -125.407
flat angles P-C4'-P energy: -73.485
tors. eta vs tors. theta energy: -124.116
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: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1649.483354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.483354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.483354 (E_RNA)
where:
Base-Base interactions energy: -1150.870
where: short stacking energy: -483.890
Base-Backbone interact. energy: 2.576
local terms energy: -501.190107
where:
bonds (distance) C4'-P energy: -96.283
bonds (distance) P-C4' energy: -99.938
flat angles C4'-P-C4' energy: -106.618
flat angles P-C4'-P energy: -70.137
tors. eta vs tors. theta energy: -128.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1530.373288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.373288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.373288 (E_RNA)
where:
Base-Base interactions energy: -1046.251
where: short stacking energy: -463.217
Base-Backbone interact. energy: 2.044
local terms energy: -486.165766
where:
bonds (distance) C4'-P energy: -79.950
bonds (distance) P-C4' energy: -97.366
flat angles C4'-P-C4' energy: -106.511
flat angles P-C4'-P energy: -80.418
tors. eta vs tors. theta energy: -121.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1465.286226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.286226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.286226 (E_RNA)
where:
Base-Base interactions energy: -993.153
where: short stacking energy: -441.655
Base-Backbone interact. energy: -2.230
local terms energy: -469.903619
where:
bonds (distance) C4'-P energy: -96.734
bonds (distance) P-C4' energy: -88.133
flat angles C4'-P-C4' energy: -92.268
flat angles P-C4'-P energy: -76.344
tors. eta vs tors. theta energy: -116.425
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: 7, replica: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1309.454319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.454319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.454319 (E_RNA)
where:
Base-Base interactions energy: -869.657
where: short stacking energy: -391.279
Base-Backbone interact. energy: -1.645
local terms energy: -438.152518
where:
bonds (distance) C4'-P energy: -93.726
bonds (distance) P-C4' energy: -83.553
flat angles C4'-P-C4' energy: -98.593
flat angles P-C4'-P energy: -57.693
tors. eta vs tors. theta energy: -104.588
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: 8, replica: 7
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1058.821192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.821192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.821192 (E_RNA)
where:
Base-Base interactions energy: -670.978
where: short stacking energy: -296.927
Base-Backbone interact. energy: -0.402
local terms energy: -387.440690
where:
bonds (distance) C4'-P energy: -95.545
bonds (distance) P-C4' energy: -85.557
flat angles C4'-P-C4' energy: -92.718
flat angles P-C4'-P energy: -70.309
tors. eta vs tors. theta energy: -43.312
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: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -798.620712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.620712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.620712 (E_RNA)
where:
Base-Base interactions energy: -464.676
where: short stacking energy: -226.152
Base-Backbone interact. energy: 1.556
local terms energy: -335.500858
where:
bonds (distance) C4'-P energy: -87.548
bonds (distance) P-C4' energy: -93.589
flat angles C4'-P-C4' energy: -77.109
flat angles P-C4'-P energy: -46.155
tors. eta vs tors. theta energy: -31.099
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: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -601.043709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.043709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.043709 (E_RNA)
where:
Base-Base interactions energy: -316.728
where: short stacking energy: -160.668
Base-Backbone interact. energy: 1.732
local terms energy: -286.047315
where:
bonds (distance) C4'-P energy: -80.191
bonds (distance) P-C4' energy: -78.820
flat angles C4'-P-C4' energy: -75.371
flat angles P-C4'-P energy: -57.110
tors. eta vs tors. theta energy: 5.444
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: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1851.546278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.546278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.546278 (E_RNA)
where:
Base-Base interactions energy: -1291.915
where: short stacking energy: -539.996
Base-Backbone interact. energy: -2.441
local terms energy: -557.190691
where:
bonds (distance) C4'-P energy: -99.281
bonds (distance) P-C4' energy: -102.839
flat angles C4'-P-C4' energy: -112.678
flat angles P-C4'-P energy: -89.483
tors. eta vs tors. theta energy: -152.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1823.166030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.166030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.166030 (E_RNA)
where:
Base-Base interactions energy: -1284.984
where: short stacking energy: -516.517
Base-Backbone interact. energy: -1.668
local terms energy: -536.513471
where:
bonds (distance) C4'-P energy: -99.857
bonds (distance) P-C4' energy: -103.105
flat angles C4'-P-C4' energy: -118.292
flat angles P-C4'-P energy: -72.494
tors. eta vs tors. theta energy: -142.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1710.365508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.365508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.365508 (E_RNA)
where:
Base-Base interactions energy: -1210.234
where: short stacking energy: -504.777
Base-Backbone interact. energy: -2.473
local terms energy: -497.658578
where:
bonds (distance) C4'-P energy: -94.028
bonds (distance) P-C4' energy: -92.423
flat angles C4'-P-C4' energy: -113.358
flat angles P-C4'-P energy: -64.154
tors. eta vs tors. theta energy: -133.695
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: 5
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1673.965883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.965883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.965883 (E_RNA)
where:
Base-Base interactions energy: -1184.698
where: short stacking energy: -496.307
Base-Backbone interact. energy: -0.527
local terms energy: -488.741112
where:
bonds (distance) C4'-P energy: -83.939
bonds (distance) P-C4' energy: -95.094
flat angles C4'-P-C4' energy: -110.024
flat angles P-C4'-P energy: -66.135
tors. eta vs tors. theta energy: -133.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1526.143899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.143899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.143899 (E_RNA)
where:
Base-Base interactions energy: -1026.408
where: short stacking energy: -432.083
Base-Backbone interact. energy: -0.748
local terms energy: -498.987800
where:
bonds (distance) C4'-P energy: -94.330
bonds (distance) P-C4' energy: -107.352
flat angles C4'-P-C4' energy: -97.926
flat angles P-C4'-P energy: -73.350
tors. eta vs tors. theta energy: -126.030
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: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1421.471297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.471297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.471297 (E_RNA)
where:
Base-Base interactions energy: -965.603
where: short stacking energy: -426.916
Base-Backbone interact. energy: 3.644
local terms energy: -459.512108
where:
bonds (distance) C4'-P energy: -84.495
bonds (distance) P-C4' energy: -93.407
flat angles C4'-P-C4' energy: -95.091
flat angles P-C4'-P energy: -70.231
tors. eta vs tors. theta energy: -116.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1317.048798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.048798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.048798 (E_RNA)
where:
Base-Base interactions energy: -883.195
where: short stacking energy: -373.544
Base-Backbone interact. energy: 2.331
local terms energy: -436.185381
where:
bonds (distance) C4'-P energy: -93.442
bonds (distance) P-C4' energy: -77.230
flat angles C4'-P-C4' energy: -105.062
flat angles P-C4'-P energy: -60.580
tors. eta vs tors. theta energy: -99.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1096.509207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.509207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.509207 (E_RNA)
where:
Base-Base interactions energy: -731.292
where: short stacking energy: -331.379
Base-Backbone interact. energy: -1.873
local terms energy: -363.344116
where:
bonds (distance) C4'-P energy: -81.898
bonds (distance) P-C4' energy: -70.216
flat angles C4'-P-C4' energy: -83.119
flat angles P-C4'-P energy: -63.934
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: 9, replica: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -777.013887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.013887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.013887 (E_RNA)
where:
Base-Base interactions energy: -422.389
where: short stacking energy: -204.890
Base-Backbone interact. energy: -1.764
local terms energy: -352.860509
where:
bonds (distance) C4'-P energy: -82.349
bonds (distance) P-C4' energy: -84.776
flat angles C4'-P-C4' energy: -92.740
flat angles P-C4'-P energy: -59.412
tors. eta vs tors. theta energy: -33.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -553.318499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.318499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.318499 (E_RNA)
where:
Base-Base interactions energy: -285.535
where: short stacking energy: -170.140
Base-Backbone interact. energy: 7.132
local terms energy: -274.915557
where:
bonds (distance) C4'-P energy: -75.132
bonds (distance) P-C4' energy: -75.468
flat angles C4'-P-C4' energy: -57.455
flat angles P-C4'-P energy: -61.888
tors. eta vs tors. theta energy: -4.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1854.362019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.362019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.362019 (E_RNA)
where:
Base-Base interactions energy: -1296.504
where: short stacking energy: -510.635
Base-Backbone interact. energy: 1.448
local terms energy: -559.306554
where:
bonds (distance) C4'-P energy: -95.203
bonds (distance) P-C4' energy: -110.397
flat angles C4'-P-C4' energy: -122.637
flat angles P-C4'-P energy: -85.855
tors. eta vs tors. theta energy: -145.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1815.020984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.020984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.020984 (E_RNA)
where:
Base-Base interactions energy: -1258.276
where: short stacking energy: -495.715
Base-Backbone interact. energy: -0.687
local terms energy: -556.058176
where:
bonds (distance) C4'-P energy: -102.035
bonds (distance) P-C4' energy: -97.702
flat angles C4'-P-C4' energy: -123.672
flat angles P-C4'-P energy: -88.032
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: 6
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1707.904316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.904316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.904316 (E_RNA)
where:
Base-Base interactions energy: -1172.433
where: short stacking energy: -488.699
Base-Backbone interact. energy: -0.525
local terms energy: -534.946585
where:
bonds (distance) C4'-P energy: -90.729
bonds (distance) P-C4' energy: -101.352
flat angles C4'-P-C4' energy: -123.178
flat angles P-C4'-P energy: -84.467
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: 5
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1667.190890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.190890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.190890 (E_RNA)
where:
Base-Base interactions energy: -1162.601
where: short stacking energy: -471.519
Base-Backbone interact. energy: -0.718
local terms energy: -503.871820
where:
bonds (distance) C4'-P energy: -94.863
bonds (distance) P-C4' energy: -110.995
flat angles C4'-P-C4' energy: -106.230
flat angles P-C4'-P energy: -61.484
tors. eta vs tors. theta energy: -130.300
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: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1521.314233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.314233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.314233 (E_RNA)
where:
Base-Base interactions energy: -1044.705
where: short stacking energy: -421.752
Base-Backbone interact. energy: -2.620
local terms energy: -473.989029
where:
bonds (distance) C4'-P energy: -84.073
bonds (distance) P-C4' energy: -104.369
flat angles C4'-P-C4' energy: -102.611
flat angles P-C4'-P energy: -69.718
tors. eta vs tors. theta energy: -113.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1405.552898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.552898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.552898 (E_RNA)
where:
Base-Base interactions energy: -974.301
where: short stacking energy: -418.978
Base-Backbone interact. energy: -1.149
local terms energy: -430.102582
where:
bonds (distance) C4'-P energy: -93.438
bonds (distance) P-C4' energy: -89.633
flat angles C4'-P-C4' energy: -88.152
flat angles P-C4'-P energy: -59.206
tors. eta vs tors. theta energy: -99.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1293.934960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.934960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.934960 (E_RNA)
where:
Base-Base interactions energy: -833.181
where: short stacking energy: -379.571
Base-Backbone interact. energy: -1.011
local terms energy: -459.743858
where:
bonds (distance) C4'-P energy: -100.985
bonds (distance) P-C4' energy: -89.561
flat angles C4'-P-C4' energy: -106.578
flat angles P-C4'-P energy: -68.506
tors. eta vs tors. theta energy: -94.113
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: 8, replica: 7
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1039.895133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.895133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.895133 (E_RNA)
where:
Base-Base interactions energy: -632.450
where: short stacking energy: -271.097
Base-Backbone interact. energy: 1.693
local terms energy: -409.138694
where:
bonds (distance) C4'-P energy: -95.403
bonds (distance) P-C4' energy: -85.437
flat angles C4'-P-C4' energy: -100.307
flat angles P-C4'-P energy: -56.856
tors. eta vs tors. theta energy: -71.135
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: 9, replica: 9
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -793.383931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.383931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.383931 (E_RNA)
where:
Base-Base interactions energy: -478.137
where: short stacking energy: -222.001
Base-Backbone interact. energy: 0.967
local terms energy: -316.214164
where:
bonds (distance) C4'-P energy: -73.984
bonds (distance) P-C4' energy: -109.093
flat angles C4'-P-C4' energy: -83.371
flat angles P-C4'-P energy: -29.561
tors. eta vs tors. theta energy: -20.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -635.012885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.012885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.012885 (E_RNA)
where:
Base-Base interactions energy: -318.175
where: short stacking energy: -194.929
Base-Backbone interact. energy: -1.952
local terms energy: -314.885759
where:
bonds (distance) C4'-P energy: -81.244
bonds (distance) P-C4' energy: -84.969
flat angles C4'-P-C4' energy: -86.225
flat angles P-C4'-P energy: -43.048
tors. eta vs tors. theta energy: -19.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1863.892407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.892407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.892407 (E_RNA)
where:
Base-Base interactions energy: -1303.941
where: short stacking energy: -541.726
Base-Backbone interact. energy: -1.600
local terms energy: -558.351462
where:
bonds (distance) C4'-P energy: -103.562
bonds (distance) P-C4' energy: -111.976
flat angles C4'-P-C4' energy: -120.293
flat angles P-C4'-P energy: -79.235
tors. eta vs tors. theta energy: -143.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1805.716080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.716080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.716080 (E_RNA)
where:
Base-Base interactions energy: -1265.452
where: short stacking energy: -524.431
Base-Backbone interact. energy: 0.909
local terms energy: -541.173455
where:
bonds (distance) C4'-P energy: -110.852
bonds (distance) P-C4' energy: -95.441
flat angles C4'-P-C4' energy: -124.383
flat angles P-C4'-P energy: -75.734
tors. eta vs tors. theta energy: -134.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1747.289681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.289681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.289681 (E_RNA)
where:
Base-Base interactions energy: -1228.852
where: short stacking energy: -495.656
Base-Backbone interact. energy: -2.965
local terms energy: -515.472336
where:
bonds (distance) C4'-P energy: -84.004
bonds (distance) P-C4' energy: -92.755
flat angles C4'-P-C4' energy: -113.110
flat angles P-C4'-P energy: -73.923
tors. eta vs tors. theta energy: -151.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1632.729861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.729861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.729861 (E_RNA)
where:
Base-Base interactions energy: -1136.420
where: short stacking energy: -483.461
Base-Backbone interact. energy: 3.511
local terms energy: -499.820432
where:
bonds (distance) C4'-P energy: -81.847
bonds (distance) P-C4' energy: -107.353
flat angles C4'-P-C4' energy: -108.776
flat angles P-C4'-P energy: -73.471
tors. eta vs tors. theta energy: -128.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1506.172096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.172096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.172096 (E_RNA)
where:
Base-Base interactions energy: -1041.924
where: short stacking energy: -424.992
Base-Backbone interact. energy: -2.113
local terms energy: -462.135135
where:
bonds (distance) C4'-P energy: -78.647
bonds (distance) P-C4' energy: -102.775
flat angles C4'-P-C4' energy: -107.409
flat angles P-C4'-P energy: -64.246
tors. eta vs tors. theta energy: -109.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1413.280207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.280207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.280207 (E_RNA)
where:
Base-Base interactions energy: -959.484
where: short stacking energy: -427.274
Base-Backbone interact. energy: -0.377
local terms energy: -453.418542
where:
bonds (distance) C4'-P energy: -80.536
bonds (distance) P-C4' energy: -98.931
flat angles C4'-P-C4' energy: -96.028
flat angles P-C4'-P energy: -66.603
tors. eta vs tors. theta energy: -111.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1300.610678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.610678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.610678 (E_RNA)
where:
Base-Base interactions energy: -903.887
where: short stacking energy: -373.565
Base-Backbone interact. energy: -2.282
local terms energy: -394.441171
where:
bonds (distance) C4'-P energy: -84.596
bonds (distance) P-C4' energy: -85.240
flat angles C4'-P-C4' energy: -87.334
flat angles P-C4'-P energy: -52.078
tors. eta vs tors. theta energy: -85.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1016.275400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.275400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.275400 (E_RNA)
where:
Base-Base interactions energy: -639.298
where: short stacking energy: -303.253
Base-Backbone interact. energy: -0.453
local terms energy: -376.524353
where:
bonds (distance) C4'-P energy: -86.129
bonds (distance) P-C4' energy: -96.009
flat angles C4'-P-C4' energy: -85.598
flat angles P-C4'-P energy: -44.561
tors. eta vs tors. theta energy: -64.228
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: 9, replica: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -798.259090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.259090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.259090 (E_RNA)
where:
Base-Base interactions energy: -456.992
where: short stacking energy: -237.315
Base-Backbone interact. energy: 0.153
local terms energy: -341.420304
where:
bonds (distance) C4'-P energy: -93.830
bonds (distance) P-C4' energy: -67.717
flat angles C4'-P-C4' energy: -95.376
flat angles P-C4'-P energy: -45.106
tors. eta vs tors. theta energy: -39.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -578.311678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.311678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.311678 (E_RNA)
where:
Base-Base interactions energy: -306.571
where: short stacking energy: -175.271
Base-Backbone interact. energy: -3.123
local terms energy: -268.617036
where:
bonds (distance) C4'-P energy: -81.079
bonds (distance) P-C4' energy: -84.809
flat angles C4'-P-C4' energy: -71.521
flat angles P-C4'-P energy: -40.426
tors. eta vs tors. theta energy: 9.217
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: 265
Temperature: 0.900000
Total energy: -1888.139541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.139541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.139541 (E_RNA)
where:
Base-Base interactions energy: -1333.922
where: short stacking energy: -543.380
Base-Backbone interact. energy: -0.593
local terms energy: -553.624813
where:
bonds (distance) C4'-P energy: -97.678
bonds (distance) P-C4' energy: -106.142
flat angles C4'-P-C4' energy: -118.354
flat angles P-C4'-P energy: -75.338
tors. eta vs tors. theta energy: -156.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1809.807636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.807636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.807636 (E_RNA)
where:
Base-Base interactions energy: -1277.110
where: short stacking energy: -491.370
Base-Backbone interact. energy: 1.122
local terms energy: -533.820569
where:
bonds (distance) C4'-P energy: -101.852
bonds (distance) P-C4' energy: -92.455
flat angles C4'-P-C4' energy: -123.344
flat angles P-C4'-P energy: -76.909
tors. eta vs tors. theta energy: -139.261
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: 6
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1728.856852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.856852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.856852 (E_RNA)
where:
Base-Base interactions energy: -1202.033
where: short stacking energy: -490.279
Base-Backbone interact. energy: -0.809
local terms energy: -526.014510
where:
bonds (distance) C4'-P energy: -93.325
bonds (distance) P-C4' energy: -103.520
flat angles C4'-P-C4' energy: -105.863
flat angles P-C4'-P energy: -78.193
tors. eta vs tors. theta energy: -145.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1630.327095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.327095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.327095 (E_RNA)
where:
Base-Base interactions energy: -1141.722
where: short stacking energy: -464.988
Base-Backbone interact. energy: 0.892
local terms energy: -489.496973
where:
bonds (distance) C4'-P energy: -86.728
bonds (distance) P-C4' energy: -90.257
flat angles C4'-P-C4' energy: -109.423
flat angles P-C4'-P energy: -69.099
tors. eta vs tors. theta energy: -133.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1531.964893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.964893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.964893 (E_RNA)
where:
Base-Base interactions energy: -1074.379
where: short stacking energy: -443.540
Base-Backbone interact. energy: -1.558
local terms energy: -456.027995
where:
bonds (distance) C4'-P energy: -88.971
bonds (distance) P-C4' energy: -91.585
flat angles C4'-P-C4' energy: -100.149
flat angles P-C4'-P energy: -64.314
tors. eta vs tors. theta energy: -111.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1383.990312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.990312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.990312 (E_RNA)
where:
Base-Base interactions energy: -937.777
where: short stacking energy: -399.154
Base-Backbone interact. energy: -1.671
local terms energy: -444.542674
where:
bonds (distance) C4'-P energy: -88.566
bonds (distance) P-C4' energy: -101.078
flat angles C4'-P-C4' energy: -101.112
flat angles P-C4'-P energy: -55.852
tors. eta vs tors. theta energy: -97.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1357.984056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.984056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.984056 (E_RNA)
where:
Base-Base interactions energy: -904.198
where: short stacking energy: -411.598
Base-Backbone interact. energy: -1.186
local terms energy: -452.600044
where:
bonds (distance) C4'-P energy: -86.456
bonds (distance) P-C4' energy: -104.323
flat angles C4'-P-C4' energy: -98.652
flat angles P-C4'-P energy: -65.940
tors. eta vs tors. theta energy: -97.228
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: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1108.876696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.876696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.876696 (E_RNA)
where:
Base-Base interactions energy: -718.752
where: short stacking energy: -338.748
Base-Backbone interact. energy: 4.916
local terms energy: -395.040096
where:
bonds (distance) C4'-P energy: -83.794
bonds (distance) P-C4' energy: -83.042
flat angles C4'-P-C4' energy: -97.517
flat angles P-C4'-P energy: -60.246
tors. eta vs tors. theta energy: -70.442
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: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -773.051937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.051937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.051937 (E_RNA)
where:
Base-Base interactions energy: -468.006
where: short stacking energy: -243.281
Base-Backbone interact. energy: 1.098
local terms energy: -306.144772
where:
bonds (distance) C4'-P energy: -67.665
bonds (distance) P-C4' energy: -87.228
flat angles C4'-P-C4' energy: -73.242
flat angles P-C4'-P energy: -48.439
tors. eta vs tors. theta energy: -29.571
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: 265
Temperature: 1.350000
Total energy: -564.414661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.414661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.414661 (E_RNA)
where:
Base-Base interactions energy: -285.710
where: short stacking energy: -168.817
Base-Backbone interact. energy: 0.882
local terms energy: -279.586899
where:
bonds (distance) C4'-P energy: -79.542
bonds (distance) P-C4' energy: -89.326
flat angles C4'-P-C4' energy: -75.649
flat angles P-C4'-P energy: -46.349
tors. eta vs tors. theta energy: 11.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1872.278646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.278646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.278646 (E_RNA)
where:
Base-Base interactions energy: -1322.639
where: short stacking energy: -538.650
Base-Backbone interact. energy: -0.302
local terms energy: -549.337244
where:
bonds (distance) C4'-P energy: -101.382
bonds (distance) P-C4' energy: -104.635
flat angles C4'-P-C4' energy: -120.507
flat angles P-C4'-P energy: -73.087
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: 2, replica: 2
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1800.700819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.700819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.700819 (E_RNA)
where:
Base-Base interactions energy: -1261.779
where: short stacking energy: -524.676
Base-Backbone interact. energy: -1.080
local terms energy: -537.842182
where:
bonds (distance) C4'-P energy: -92.891
bonds (distance) P-C4' energy: -107.204
flat angles C4'-P-C4' energy: -113.627
flat angles P-C4'-P energy: -80.974
tors. eta vs tors. theta energy: -143.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1739.692013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.692013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.692013 (E_RNA)
where:
Base-Base interactions energy: -1198.175
where: short stacking energy: -491.024
Base-Backbone interact. energy: -0.117
local terms energy: -541.400589
where:
bonds (distance) C4'-P energy: -101.690
bonds (distance) P-C4' energy: -95.794
flat angles C4'-P-C4' energy: -117.702
flat angles P-C4'-P energy: -81.388
tors. eta vs tors. theta energy: -144.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1612.653007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.653007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.653007 (E_RNA)
where:
Base-Base interactions energy: -1120.121
where: short stacking energy: -470.397
Base-Backbone interact. energy: -2.127
local terms energy: -490.404895
where:
bonds (distance) C4'-P energy: -104.200
bonds (distance) P-C4' energy: -85.090
flat angles C4'-P-C4' energy: -96.507
flat angles P-C4'-P energy: -58.166
tors. eta vs tors. theta energy: -146.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1513.281504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.281504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.281504 (E_RNA)
where:
Base-Base interactions energy: -1040.801
where: short stacking energy: -431.128
Base-Backbone interact. energy: -1.688
local terms energy: -470.793031
where:
bonds (distance) C4'-P energy: -93.879
bonds (distance) P-C4' energy: -96.636
flat angles C4'-P-C4' energy: -99.995
flat angles P-C4'-P energy: -74.251
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: 6, replica: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1398.042422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.042422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.042422 (E_RNA)
where:
Base-Base interactions energy: -940.390
where: short stacking energy: -406.596
Base-Backbone interact. energy: 1.050
local terms energy: -458.701733
where:
bonds (distance) C4'-P energy: -84.280
bonds (distance) P-C4' energy: -93.708
flat angles C4'-P-C4' energy: -105.707
flat angles P-C4'-P energy: -69.301
tors. eta vs tors. theta energy: -105.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1287.855595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.855595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.855595 (E_RNA)
where:
Base-Base interactions energy: -843.427
where: short stacking energy: -355.240
Base-Backbone interact. energy: 1.093
local terms energy: -445.521382
where:
bonds (distance) C4'-P energy: -105.141
bonds (distance) P-C4' energy: -88.442
flat angles C4'-P-C4' energy: -105.166
flat angles P-C4'-P energy: -62.340
tors. eta vs tors. theta energy: -84.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1039.888941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.888941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.888941 (E_RNA)
where:
Base-Base interactions energy: -673.178
where: short stacking energy: -292.816
Base-Backbone interact. energy: -0.805
local terms energy: -365.905880
where:
bonds (distance) C4'-P energy: -86.064
bonds (distance) P-C4' energy: -77.357
flat angles C4'-P-C4' energy: -93.546
flat angles P-C4'-P energy: -59.147
tors. eta vs tors. theta energy: -49.791
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: 9
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -679.036962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.036962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.036962 (E_RNA)
where:
Base-Base interactions energy: -359.356
where: short stacking energy: -198.856
Base-Backbone interact. energy: 1.218
local terms energy: -320.898450
where:
bonds (distance) C4'-P energy: -73.504
bonds (distance) P-C4' energy: -85.362
flat angles C4'-P-C4' energy: -79.260
flat angles P-C4'-P energy: -50.276
tors. eta vs tors. theta energy: -32.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -530.637973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.637973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.637973 (E_RNA)
where:
Base-Base interactions energy: -270.227
where: short stacking energy: -167.993
Base-Backbone interact. energy: 0.438
local terms energy: -260.849436
where:
bonds (distance) C4'-P energy: -77.688
bonds (distance) P-C4' energy: -92.424
flat angles C4'-P-C4' energy: -69.513
flat angles P-C4'-P energy: -25.205
tors. eta vs tors. theta energy: 3.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1878.907665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.907665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.907665 (E_RNA)
where:
Base-Base interactions energy: -1306.792
where: short stacking energy: -532.773
Base-Backbone interact. energy: -2.313
local terms energy: -569.802700
where:
bonds (distance) C4'-P energy: -107.581
bonds (distance) P-C4' energy: -112.157
flat angles C4'-P-C4' energy: -123.111
flat angles P-C4'-P energy: -72.079
tors. eta vs tors. theta energy: -154.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1792.323346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.323346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.323346 (E_RNA)
where:
Base-Base interactions energy: -1241.989
where: short stacking energy: -506.444
Base-Backbone interact. energy: -1.462
local terms energy: -548.871873
where:
bonds (distance) C4'-P energy: -99.522
bonds (distance) P-C4' energy: -105.149
flat angles C4'-P-C4' energy: -119.946
flat angles P-C4'-P energy: -80.763
tors. eta vs tors. theta energy: -143.492
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: 6
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1751.814113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.814113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.814113 (E_RNA)
where:
Base-Base interactions energy: -1211.764
where: short stacking energy: -486.490
Base-Backbone interact. energy: -2.144
local terms energy: -537.905674
where:
bonds (distance) C4'-P energy: -98.478
bonds (distance) P-C4' energy: -97.080
flat angles C4'-P-C4' energy: -118.214
flat angles P-C4'-P energy: -85.053
tors. eta vs tors. theta energy: -139.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1560.960575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.960575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.960575 (E_RNA)
where:
Base-Base interactions energy: -1055.124
where: short stacking energy: -436.512
Base-Backbone interact. energy: -1.505
local terms energy: -504.331719
where:
bonds (distance) C4'-P energy: -94.170
bonds (distance) P-C4' energy: -97.803
flat angles C4'-P-C4' energy: -119.701
flat angles P-C4'-P energy: -83.203
tors. eta vs tors. theta energy: -109.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1570.524675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.524675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.524675 (E_RNA)
where:
Base-Base interactions energy: -1100.921
where: short stacking energy: -457.152
Base-Backbone interact. energy: 1.620
local terms energy: -471.223678
where:
bonds (distance) C4'-P energy: -93.008
bonds (distance) P-C4' energy: -95.293
flat angles C4'-P-C4' energy: -89.908
flat angles P-C4'-P energy: -69.461
tors. eta vs tors. theta energy: -123.554
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: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1458.555243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.555243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.555243 (E_RNA)
where:
Base-Base interactions energy: -1014.045
where: short stacking energy: -431.605
Base-Backbone interact. energy: -3.099
local terms energy: -441.410967
where:
bonds (distance) C4'-P energy: -81.639
bonds (distance) P-C4' energy: -90.887
flat angles C4'-P-C4' energy: -106.273
flat angles P-C4'-P energy: -47.833
tors. eta vs tors. theta energy: -114.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1313.948871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.948871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.948871 (E_RNA)
where:
Base-Base interactions energy: -879.165
where: short stacking energy: -389.974
Base-Backbone interact. energy: 1.022
local terms energy: -435.805362
where:
bonds (distance) C4'-P energy: -77.445
bonds (distance) P-C4' energy: -95.634
flat angles C4'-P-C4' energy: -101.268
flat angles P-C4'-P energy: -68.031
tors. eta vs tors. theta energy: -93.428
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: 267
Temperature: 1.250000
Total energy: -1049.676169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.676169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.676169 (E_RNA)
where:
Base-Base interactions energy: -686.414
where: short stacking energy: -298.375
Base-Backbone interact. energy: -3.223
local terms energy: -360.039089
where:
bonds (distance) C4'-P energy: -80.977
bonds (distance) P-C4' energy: -88.299
flat angles C4'-P-C4' energy: -90.355
flat angles P-C4'-P energy: -46.449
tors. eta vs tors. theta energy: -53.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -695.069812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.069812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.069812 (E_RNA)
where:
Base-Base interactions energy: -364.552
where: short stacking energy: -211.827
Base-Backbone interact. energy: -1.172
local terms energy: -329.346211
where:
bonds (distance) C4'-P energy: -85.605
bonds (distance) P-C4' energy: -102.803
flat angles C4'-P-C4' energy: -74.717
flat angles P-C4'-P energy: -42.730
tors. eta vs tors. theta energy: -23.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -515.130034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.130034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.130034 (E_RNA)
where:
Base-Base interactions energy: -256.624
where: short stacking energy: -174.470
Base-Backbone interact. energy: 1.371
local terms energy: -259.876755
where:
bonds (distance) C4'-P energy: -87.735
bonds (distance) P-C4' energy: -70.572
flat angles C4'-P-C4' energy: -68.932
flat angles P-C4'-P energy: -36.523
tors. eta vs tors. theta energy: 3.885
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: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1901.477953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.477953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.477953 (E_RNA)
where:
Base-Base interactions energy: -1348.740
where: short stacking energy: -552.259
Base-Backbone interact. energy: 2.697
local terms energy: -555.434286
where:
bonds (distance) C4'-P energy: -101.903
bonds (distance) P-C4' energy: -105.306
flat angles C4'-P-C4' energy: -121.358
flat angles P-C4'-P energy: -70.604
tors. eta vs tors. theta energy: -156.262
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: 268
Temperature: 0.950000
Total energy: -1821.210943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.210943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.210943 (E_RNA)
where:
Base-Base interactions energy: -1263.463
where: short stacking energy: -530.067
Base-Backbone interact. energy: 0.537
local terms energy: -558.285105
where:
bonds (distance) C4'-P energy: -93.829
bonds (distance) P-C4' energy: -105.999
flat angles C4'-P-C4' energy: -126.503
flat angles P-C4'-P energy: -86.570
tors. eta vs tors. theta energy: -145.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1757.542712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.542712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.542712 (E_RNA)
where:
Base-Base interactions energy: -1217.858
where: short stacking energy: -515.078
Base-Backbone interact. energy: -1.574
local terms energy: -538.111444
where:
bonds (distance) C4'-P energy: -90.127
bonds (distance) P-C4' energy: -93.051
flat angles C4'-P-C4' energy: -114.837
flat angles P-C4'-P energy: -91.527
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: 268
Temperature: 1.050000
Total energy: -1597.391786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.391786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.391786 (E_RNA)
where:
Base-Base interactions energy: -1111.982
where: short stacking energy: -464.307
Base-Backbone interact. energy: -1.175
local terms energy: -484.234988
where:
bonds (distance) C4'-P energy: -93.204
bonds (distance) P-C4' energy: -93.872
flat angles C4'-P-C4' energy: -109.784
flat angles P-C4'-P energy: -73.834
tors. eta vs tors. theta energy: -113.540
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: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1548.095719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.095719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.095719 (E_RNA)
where:
Base-Base interactions energy: -1075.020
where: short stacking energy: -458.612
Base-Backbone interact. energy: -0.791
local terms energy: -472.284868
where:
bonds (distance) C4'-P energy: -75.583
bonds (distance) P-C4' energy: -96.813
flat angles C4'-P-C4' energy: -109.979
flat angles P-C4'-P energy: -70.764
tors. eta vs tors. theta energy: -119.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1426.428337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.428337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.428337 (E_RNA)
where:
Base-Base interactions energy: -973.158
where: short stacking energy: -433.379
Base-Backbone interact. energy: 1.811
local terms energy: -455.081330
where:
bonds (distance) C4'-P energy: -92.284
bonds (distance) P-C4' energy: -94.052
flat angles C4'-P-C4' energy: -99.698
flat angles P-C4'-P energy: -63.598
tors. eta vs tors. theta energy: -105.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1303.739436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.739436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.739436 (E_RNA)
where:
Base-Base interactions energy: -871.638
where: short stacking energy: -392.570
Base-Backbone interact. energy: -0.680
local terms energy: -431.421498
where:
bonds (distance) C4'-P energy: -80.334
bonds (distance) P-C4' energy: -94.634
flat angles C4'-P-C4' energy: -102.384
flat angles P-C4'-P energy: -62.688
tors. eta vs tors. theta energy: -91.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1015.322375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.322375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.322375 (E_RNA)
where:
Base-Base interactions energy: -677.279
where: short stacking energy: -319.029
Base-Backbone interact. energy: -1.777
local terms energy: -336.265748
where:
bonds (distance) C4'-P energy: -73.997
bonds (distance) P-C4' energy: -77.194
flat angles C4'-P-C4' energy: -80.547
flat angles P-C4'-P energy: -47.638
tors. eta vs tors. theta energy: -56.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -699.637715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.637715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.637715 (E_RNA)
where:
Base-Base interactions energy: -380.081
where: short stacking energy: -193.770
Base-Backbone interact. energy: 4.881
local terms energy: -324.437023
where:
bonds (distance) C4'-P energy: -93.741
bonds (distance) P-C4' energy: -76.964
flat angles C4'-P-C4' energy: -81.435
flat angles P-C4'-P energy: -49.133
tors. eta vs tors. theta energy: -23.163
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: 268
Temperature: 1.350000
Total energy: -604.462249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.462249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.462249 (E_RNA)
where:
Base-Base interactions energy: -294.579
where: short stacking energy: -157.449
Base-Backbone interact. energy: 1.261
local terms energy: -311.144005
where:
bonds (distance) C4'-P energy: -89.359
bonds (distance) P-C4' energy: -98.250
flat angles C4'-P-C4' energy: -83.531
flat angles P-C4'-P energy: -42.476
tors. eta vs tors. theta energy: 2.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1877.640159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.640159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.640159 (E_RNA)
where:
Base-Base interactions energy: -1315.182
where: short stacking energy: -524.486
Base-Backbone interact. energy: -1.744
local terms energy: -560.714543
where:
bonds (distance) C4'-P energy: -105.483
bonds (distance) P-C4' energy: -101.120
flat angles C4'-P-C4' energy: -116.267
flat angles P-C4'-P energy: -80.137
tors. eta vs tors. theta energy: -157.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1822.846453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.846453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.846453 (E_RNA)
where:
Base-Base interactions energy: -1258.751
where: short stacking energy: -526.754
Base-Backbone interact. energy: -3.943
local terms energy: -560.151872
where:
bonds (distance) C4'-P energy: -101.492
bonds (distance) P-C4' energy: -104.419
flat angles C4'-P-C4' energy: -117.862
flat angles P-C4'-P energy: -83.382
tors. eta vs tors. theta energy: -152.996
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: 6
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1727.105876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.105876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.105876 (E_RNA)
where:
Base-Base interactions energy: -1196.482
where: short stacking energy: -497.563
Base-Backbone interact. energy: -3.103
local terms energy: -527.521376
where:
bonds (distance) C4'-P energy: -93.768
bonds (distance) P-C4' energy: -89.039
flat angles C4'-P-C4' energy: -113.952
flat angles P-C4'-P energy: -81.477
tors. eta vs tors. theta energy: -149.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1616.697437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.697437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.697437 (E_RNA)
where:
Base-Base interactions energy: -1110.117
where: short stacking energy: -464.469
Base-Backbone interact. energy: -0.681
local terms energy: -505.898519
where:
bonds (distance) C4'-P energy: -93.739
bonds (distance) P-C4' energy: -95.099
flat angles C4'-P-C4' energy: -106.766
flat angles P-C4'-P energy: -76.145
tors. eta vs tors. theta energy: -134.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1564.178187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.178187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.178187 (E_RNA)
where:
Base-Base interactions energy: -1070.821
where: short stacking energy: -434.843
Base-Backbone interact. energy: -3.998
local terms energy: -489.359627
where:
bonds (distance) C4'-P energy: -104.749
bonds (distance) P-C4' energy: -94.994
flat angles C4'-P-C4' energy: -103.473
flat angles P-C4'-P energy: -74.492
tors. eta vs tors. theta energy: -111.651
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: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1466.150978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.150978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.150978 (E_RNA)
where:
Base-Base interactions energy: -994.683
where: short stacking energy: -413.456
Base-Backbone interact. energy: -2.003
local terms energy: -469.464790
where:
bonds (distance) C4'-P energy: -92.314
bonds (distance) P-C4' energy: -101.663
flat angles C4'-P-C4' energy: -97.071
flat angles P-C4'-P energy: -62.940
tors. eta vs tors. theta energy: -115.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1328.118608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.118608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.118608 (E_RNA)
where:
Base-Base interactions energy: -916.237
where: short stacking energy: -373.384
Base-Backbone interact. energy: -2.476
local terms energy: -409.405046
where:
bonds (distance) C4'-P energy: -85.859
bonds (distance) P-C4' energy: -80.596
flat angles C4'-P-C4' energy: -81.307
flat angles P-C4'-P energy: -72.737
tors. eta vs tors. theta energy: -88.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -993.296349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.296349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.296349 (E_RNA)
where:
Base-Base interactions energy: -643.498
where: short stacking energy: -268.919
Base-Backbone interact. energy: 4.126
local terms energy: -353.923890
where:
bonds (distance) C4'-P energy: -69.941
bonds (distance) P-C4' energy: -90.151
flat angles C4'-P-C4' energy: -92.751
flat angles P-C4'-P energy: -69.745
tors. eta vs tors. theta energy: -31.336
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: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -694.302297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.302297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.302297 (E_RNA)
where:
Base-Base interactions energy: -360.326
where: short stacking energy: -200.566
Base-Backbone interact. energy: -2.685
local terms energy: -331.291562
where:
bonds (distance) C4'-P energy: -89.257
bonds (distance) P-C4' energy: -90.765
flat angles C4'-P-C4' energy: -85.958
flat angles P-C4'-P energy: -40.266
tors. eta vs tors. theta energy: -25.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -633.987283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.987283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.987283 (E_RNA)
where:
Base-Base interactions energy: -335.713
where: short stacking energy: -176.871
Base-Backbone interact. energy: 0.358
local terms energy: -298.632694
where:
bonds (distance) C4'-P energy: -79.660
bonds (distance) P-C4' energy: -87.842
flat angles C4'-P-C4' energy: -87.588
flat angles P-C4'-P energy: -44.871
tors. eta vs tors. theta energy: 1.327
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: 270
Temperature: 0.900000
Total energy: -1884.320652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.320652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.320652 (E_RNA)
where:
Base-Base interactions energy: -1339.996
where: short stacking energy: -549.388
Base-Backbone interact. energy: -1.885
local terms energy: -542.439705
where:
bonds (distance) C4'-P energy: -92.235
bonds (distance) P-C4' energy: -107.958
flat angles C4'-P-C4' energy: -126.727
flat angles P-C4'-P energy: -75.136
tors. eta vs tors. theta energy: -140.384
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: 270
Temperature: 0.950000
Total energy: -1810.196377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.196377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.196377 (E_RNA)
where:
Base-Base interactions energy: -1251.194
where: short stacking energy: -514.724
Base-Backbone interact. energy: 2.605
local terms energy: -561.607043
where:
bonds (distance) C4'-P energy: -107.555
bonds (distance) P-C4' energy: -118.842
flat angles C4'-P-C4' energy: -117.359
flat angles P-C4'-P energy: -78.035
tors. eta vs tors. theta energy: -139.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1711.467885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.467885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.467885 (E_RNA)
where:
Base-Base interactions energy: -1173.934
where: short stacking energy: -505.659
Base-Backbone interact. energy: -1.080
local terms energy: -536.453877
where:
bonds (distance) C4'-P energy: -91.802
bonds (distance) P-C4' energy: -107.234
flat angles C4'-P-C4' energy: -116.982
flat angles P-C4'-P energy: -70.152
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: 4, replica: 5
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1578.497025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.497025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.497025 (E_RNA)
where:
Base-Base interactions energy: -1076.089
where: short stacking energy: -458.246
Base-Backbone interact. energy: 0.851
local terms energy: -503.259250
where:
bonds (distance) C4'-P energy: -103.528
bonds (distance) P-C4' energy: -105.817
flat angles C4'-P-C4' energy: -100.560
flat angles P-C4'-P energy: -70.721
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: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1579.460344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.460344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.460344 (E_RNA)
where:
Base-Base interactions energy: -1082.179
where: short stacking energy: -463.184
Base-Backbone interact. energy: -2.218
local terms energy: -495.063330
where:
bonds (distance) C4'-P energy: -88.949
bonds (distance) P-C4' energy: -101.311
flat angles C4'-P-C4' energy: -112.132
flat angles P-C4'-P energy: -63.608
tors. eta vs tors. theta energy: -129.063
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: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1430.774571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.774571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.774571 (E_RNA)
where:
Base-Base interactions energy: -973.103
where: short stacking energy: -415.736
Base-Backbone interact. energy: -1.869
local terms energy: -455.802368
where:
bonds (distance) C4'-P energy: -97.266
bonds (distance) P-C4' energy: -103.676
flat angles C4'-P-C4' energy: -98.560
flat angles P-C4'-P energy: -63.720
tors. eta vs tors. theta energy: -92.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1285.157979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.157979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.157979 (E_RNA)
where:
Base-Base interactions energy: -867.569
where: short stacking energy: -377.194
Base-Backbone interact. energy: 1.187
local terms energy: -418.776312
where:
bonds (distance) C4'-P energy: -79.209
bonds (distance) P-C4' energy: -82.033
flat angles C4'-P-C4' energy: -99.917
flat angles P-C4'-P energy: -65.557
tors. eta vs tors. theta energy: -92.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1152.786614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.786614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.786614 (E_RNA)
where:
Base-Base interactions energy: -755.649
where: short stacking energy: -348.444
Base-Backbone interact. energy: 0.903
local terms energy: -398.040418
where:
bonds (distance) C4'-P energy: -84.327
bonds (distance) P-C4' energy: -83.118
flat angles C4'-P-C4' energy: -101.016
flat angles P-C4'-P energy: -52.608
tors. eta vs tors. theta energy: -76.971
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: 270
Temperature: 1.300000
Total energy: -665.047368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.047368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.047368 (E_RNA)
where:
Base-Base interactions energy: -362.556
where: short stacking energy: -210.084
Base-Backbone interact. energy: -2.370
local terms energy: -300.121304
where:
bonds (distance) C4'-P energy: -77.943
bonds (distance) P-C4' energy: -74.515
flat angles C4'-P-C4' energy: -68.680
flat angles P-C4'-P energy: -61.869
tors. eta vs tors. theta energy: -17.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -701.416723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.416723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.416723 (E_RNA)
where:
Base-Base interactions energy: -345.854
where: short stacking energy: -183.976
Base-Backbone interact. energy: -1.351
local terms energy: -354.212395
where:
bonds (distance) C4'-P energy: -100.406
bonds (distance) P-C4' energy: -90.244
flat angles C4'-P-C4' energy: -81.167
flat angles P-C4'-P energy: -67.093
tors. eta vs tors. theta energy: -15.302
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: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1898.840197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.840197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.840197 (E_RNA)
where:
Base-Base interactions energy: -1332.981
where: short stacking energy: -545.936
Base-Backbone interact. energy: -3.419
local terms energy: -562.440421
where:
bonds (distance) C4'-P energy: -100.586
bonds (distance) P-C4' energy: -104.566
flat angles C4'-P-C4' energy: -126.349
flat angles P-C4'-P energy: -84.098
tors. eta vs tors. theta energy: -146.843
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: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1818.547103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.547103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.547103 (E_RNA)
where:
Base-Base interactions energy: -1287.577
where: short stacking energy: -516.431
Base-Backbone interact. energy: -3.457
local terms energy: -527.513036
where:
bonds (distance) C4'-P energy: -99.633
bonds (distance) P-C4' energy: -103.249
flat angles C4'-P-C4' energy: -106.001
flat angles P-C4'-P energy: -78.907
tors. eta vs tors. theta energy: -139.723
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: 6
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1710.926007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.926007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.926007 (E_RNA)
where:
Base-Base interactions energy: -1178.252
where: short stacking energy: -466.554
Base-Backbone interact. energy: -3.626
local terms energy: -529.047593
where:
bonds (distance) C4'-P energy: -100.839
bonds (distance) P-C4' energy: -94.193
flat angles C4'-P-C4' energy: -122.520
flat angles P-C4'-P energy: -79.876
tors. eta vs tors. theta energy: -131.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1633.628336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.628336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.628336 (E_RNA)
where:
Base-Base interactions energy: -1128.274
where: short stacking energy: -479.339
Base-Backbone interact. energy: 0.656
local terms energy: -506.010445
where:
bonds (distance) C4'-P energy: -97.494
bonds (distance) P-C4' energy: -96.624
flat angles C4'-P-C4' energy: -110.914
flat angles P-C4'-P energy: -65.889
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: 5, replica: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1567.959048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.959048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.959048 (E_RNA)
where:
Base-Base interactions energy: -1083.911
where: short stacking energy: -458.983
Base-Backbone interact. energy: -0.274
local terms energy: -483.773931
where:
bonds (distance) C4'-P energy: -83.597
bonds (distance) P-C4' energy: -102.544
flat angles C4'-P-C4' energy: -102.915
flat angles P-C4'-P energy: -61.143
tors. eta vs tors. theta energy: -133.576
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: 3
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1468.526617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.526617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.526617 (E_RNA)
where:
Base-Base interactions energy: -1009.859
where: short stacking energy: -415.771
Base-Backbone interact. energy: 0.852
local terms energy: -459.520168
where:
bonds (distance) C4'-P energy: -96.762
bonds (distance) P-C4' energy: -82.413
flat angles C4'-P-C4' energy: -104.784
flat angles P-C4'-P energy: -66.322
tors. eta vs tors. theta energy: -109.239
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: 8
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1283.973745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.973745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.973745 (E_RNA)
where:
Base-Base interactions energy: -870.298
where: short stacking energy: -371.065
Base-Backbone interact. energy: -2.677
local terms energy: -410.998105
where:
bonds (distance) C4'-P energy: -78.390
bonds (distance) P-C4' energy: -80.321
flat angles C4'-P-C4' energy: -94.610
flat angles P-C4'-P energy: -58.327
tors. eta vs tors. theta energy: -99.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1138.520476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.520476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.520476 (E_RNA)
where:
Base-Base interactions energy: -726.341
where: short stacking energy: -320.113
Base-Backbone interact. energy: 5.678
local terms energy: -417.857554
where:
bonds (distance) C4'-P energy: -76.645
bonds (distance) P-C4' energy: -98.514
flat angles C4'-P-C4' energy: -108.311
flat angles P-C4'-P energy: -71.649
tors. eta vs tors. theta energy: -62.740
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: 10
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -655.868973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.868973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.868973 (E_RNA)
where:
Base-Base interactions energy: -372.855
where: short stacking energy: -210.750
Base-Backbone interact. energy: -2.749
local terms energy: -280.264424
where:
bonds (distance) C4'-P energy: -64.160
bonds (distance) P-C4' energy: -76.242
flat angles C4'-P-C4' energy: -72.967
flat angles P-C4'-P energy: -50.260
tors. eta vs tors. theta energy: -16.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -750.269858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.269858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.269858 (E_RNA)
where:
Base-Base interactions energy: -412.282
where: short stacking energy: -231.250
Base-Backbone interact. energy: 5.683
local terms energy: -343.670745
where:
bonds (distance) C4'-P energy: -84.866
bonds (distance) P-C4' energy: -90.831
flat angles C4'-P-C4' energy: -82.746
flat angles P-C4'-P energy: -56.423
tors. eta vs tors. theta energy: -28.804
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: 272
Temperature: 0.900000
Total energy: -1836.911696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.911696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.911696 (E_RNA)
where:
Base-Base interactions energy: -1279.586
where: short stacking energy: -550.437
Base-Backbone interact. energy: -2.456
local terms energy: -554.869368
where:
bonds (distance) C4'-P energy: -101.896
bonds (distance) P-C4' energy: -111.060
flat angles C4'-P-C4' energy: -120.523
flat angles P-C4'-P energy: -76.210
tors. eta vs tors. theta energy: -145.180
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: 272
Temperature: 0.950000
Total energy: -1840.489400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.489400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.489400 (E_RNA)
where:
Base-Base interactions energy: -1285.120
where: short stacking energy: -523.586
Base-Backbone interact. energy: -4.211
local terms energy: -551.158725
where:
bonds (distance) C4'-P energy: -95.030
bonds (distance) P-C4' energy: -111.757
flat angles C4'-P-C4' energy: -111.933
flat angles P-C4'-P energy: -88.161
tors. eta vs tors. theta energy: -144.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1701.128008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.128008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.128008 (E_RNA)
where:
Base-Base interactions energy: -1163.461
where: short stacking energy: -470.093
Base-Backbone interact. energy: -4.254
local terms energy: -533.412775
where:
bonds (distance) C4'-P energy: -110.025
bonds (distance) P-C4' energy: -100.014
flat angles C4'-P-C4' energy: -121.626
flat angles P-C4'-P energy: -66.159
tors. eta vs tors. theta energy: -135.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1597.304118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.304118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.304118 (E_RNA)
where:
Base-Base interactions energy: -1081.227
where: short stacking energy: -469.806
Base-Backbone interact. energy: -1.311
local terms energy: -514.765979
where:
bonds (distance) C4'-P energy: -96.887
bonds (distance) P-C4' energy: -96.491
flat angles C4'-P-C4' energy: -116.059
flat angles P-C4'-P energy: -69.178
tors. eta vs tors. theta energy: -136.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1556.274661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.274661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.274661 (E_RNA)
where:
Base-Base interactions energy: -1094.010
where: short stacking energy: -468.222
Base-Backbone interact. energy: -0.707
local terms energy: -461.556723
where:
bonds (distance) C4'-P energy: -97.076
bonds (distance) P-C4' energy: -80.398
flat angles C4'-P-C4' energy: -98.475
flat angles P-C4'-P energy: -68.931
tors. eta vs tors. theta energy: -116.678
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: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1427.681054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.681054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.681054 (E_RNA)
where:
Base-Base interactions energy: -967.987
where: short stacking energy: -433.505
Base-Backbone interact. energy: 1.388
local terms energy: -461.082563
where:
bonds (distance) C4'-P energy: -85.068
bonds (distance) P-C4' energy: -88.807
flat angles C4'-P-C4' energy: -103.094
flat angles P-C4'-P energy: -69.868
tors. eta vs tors. theta energy: -114.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1295.318706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.318706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.318706 (E_RNA)
where:
Base-Base interactions energy: -866.740
where: short stacking energy: -364.238
Base-Backbone interact. energy: -0.526
local terms energy: -428.052729
where:
bonds (distance) C4'-P energy: -83.610
bonds (distance) P-C4' energy: -96.182
flat angles C4'-P-C4' energy: -107.333
flat angles P-C4'-P energy: -53.274
tors. eta vs tors. theta energy: -87.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1140.950765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.950765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.950765 (E_RNA)
where:
Base-Base interactions energy: -762.008
where: short stacking energy: -330.076
Base-Backbone interact. energy: -2.248
local terms energy: -376.695280
where:
bonds (distance) C4'-P energy: -90.844
bonds (distance) P-C4' energy: -87.009
flat angles C4'-P-C4' energy: -69.940
flat angles P-C4'-P energy: -60.850
tors. eta vs tors. theta energy: -68.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -750.397280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.397280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.397280 (E_RNA)
where:
Base-Base interactions energy: -412.304
where: short stacking energy: -244.225
Base-Backbone interact. energy: -2.801
local terms energy: -335.292435
where:
bonds (distance) C4'-P energy: -78.736
bonds (distance) P-C4' energy: -85.038
flat angles C4'-P-C4' energy: -90.267
flat angles P-C4'-P energy: -28.667
tors. eta vs tors. theta energy: -52.585
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: 272
Temperature: 1.350000
Total energy: -676.218983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.218983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.218983 (E_RNA)
where:
Base-Base interactions energy: -365.376
where: short stacking energy: -200.698
Base-Backbone interact. energy: 4.781
local terms energy: -315.623292
where:
bonds (distance) C4'-P energy: -76.613
bonds (distance) P-C4' energy: -86.128
flat angles C4'-P-C4' energy: -72.013
flat angles P-C4'-P energy: -58.480
tors. eta vs tors. theta energy: -22.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1855.398660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.398660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.398660 (E_RNA)
where:
Base-Base interactions energy: -1292.427
where: short stacking energy: -521.589
Base-Backbone interact. energy: -4.045
local terms energy: -558.926769
where:
bonds (distance) C4'-P energy: -95.608
bonds (distance) P-C4' energy: -102.712
flat angles C4'-P-C4' energy: -120.214
flat angles P-C4'-P energy: -86.227
tors. eta vs tors. theta energy: -154.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1864.764144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.764144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.764144 (E_RNA)
where:
Base-Base interactions energy: -1309.984
where: short stacking energy: -530.760
Base-Backbone interact. energy: -2.338
local terms energy: -552.441864
where:
bonds (distance) C4'-P energy: -110.301
bonds (distance) P-C4' energy: -100.527
flat angles C4'-P-C4' energy: -111.669
flat angles P-C4'-P energy: -81.190
tors. eta vs tors. theta energy: -148.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1725.680248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.680248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.680248 (E_RNA)
where:
Base-Base interactions energy: -1176.673
where: short stacking energy: -499.998
Base-Backbone interact. energy: 1.712
local terms energy: -550.719047
where:
bonds (distance) C4'-P energy: -110.079
bonds (distance) P-C4' energy: -97.519
flat angles C4'-P-C4' energy: -119.352
flat angles P-C4'-P energy: -83.302
tors. eta vs tors. theta energy: -140.467
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: 5
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1625.576437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.576437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.576437 (E_RNA)
where:
Base-Base interactions energy: -1105.568
where: short stacking energy: -468.528
Base-Backbone interact. energy: -0.940
local terms energy: -519.067964
where:
bonds (distance) C4'-P energy: -102.646
bonds (distance) P-C4' energy: -95.443
flat angles C4'-P-C4' energy: -120.416
flat angles P-C4'-P energy: -72.669
tors. eta vs tors. theta energy: -127.894
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: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1524.597239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.597239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.597239 (E_RNA)
where:
Base-Base interactions energy: -1054.574
where: short stacking energy: -426.176
Base-Backbone interact. energy: 1.569
local terms energy: -471.592284
where:
bonds (distance) C4'-P energy: -87.630
bonds (distance) P-C4' energy: -103.168
flat angles C4'-P-C4' energy: -95.303
flat angles P-C4'-P energy: -73.011
tors. eta vs tors. theta energy: -112.479
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: 3
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1454.579012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.579012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.579012 (E_RNA)
where:
Base-Base interactions energy: -976.208
where: short stacking energy: -446.924
Base-Backbone interact. energy: 0.658
local terms energy: -479.029145
where:
bonds (distance) C4'-P energy: -92.984
bonds (distance) P-C4' energy: -92.391
flat angles C4'-P-C4' energy: -115.419
flat angles P-C4'-P energy: -58.394
tors. eta vs tors. theta energy: -119.841
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: 8
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1270.023033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.023033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.023033 (E_RNA)
where:
Base-Base interactions energy: -842.435
where: short stacking energy: -361.991
Base-Backbone interact. energy: -1.521
local terms energy: -426.066885
where:
bonds (distance) C4'-P energy: -88.742
bonds (distance) P-C4' energy: -107.411
flat angles C4'-P-C4' energy: -88.763
flat angles P-C4'-P energy: -57.441
tors. eta vs tors. theta energy: -83.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1172.757816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.757816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.757816 (E_RNA)
where:
Base-Base interactions energy: -749.033
where: short stacking energy: -328.953
Base-Backbone interact. energy: -2.316
local terms energy: -421.408578
where:
bonds (distance) C4'-P energy: -84.121
bonds (distance) P-C4' energy: -97.907
flat angles C4'-P-C4' energy: -98.862
flat angles P-C4'-P energy: -58.260
tors. eta vs tors. theta energy: -82.260
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: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -727.773747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.773747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.773747 (E_RNA)
where:
Base-Base interactions energy: -388.805
where: short stacking energy: -209.238
Base-Backbone interact. energy: -3.037
local terms energy: -335.932334
where:
bonds (distance) C4'-P energy: -80.416
bonds (distance) P-C4' energy: -98.949
flat angles C4'-P-C4' energy: -78.562
flat angles P-C4'-P energy: -48.222
tors. eta vs tors. theta energy: -29.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -673.772117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.772117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.772117 (E_RNA)
where:
Base-Base interactions energy: -391.368
where: short stacking energy: -172.422
Base-Backbone interact. energy: 0.870
local terms energy: -283.273650
where:
bonds (distance) C4'-P energy: -69.197
bonds (distance) P-C4' energy: -89.445
flat angles C4'-P-C4' energy: -84.862
flat angles P-C4'-P energy: -41.111
tors. eta vs tors. theta energy: 1.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1885.154247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.154247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.154247 (E_RNA)
where:
Base-Base interactions energy: -1315.301
where: short stacking energy: -557.003
Base-Backbone interact. energy: -2.230
local terms energy: -567.623679
where:
bonds (distance) C4'-P energy: -112.403
bonds (distance) P-C4' energy: -104.657
flat angles C4'-P-C4' energy: -121.297
flat angles P-C4'-P energy: -77.168
tors. eta vs tors. theta energy: -152.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1797.542801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.542801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.542801 (E_RNA)
where:
Base-Base interactions energy: -1262.132
where: short stacking energy: -524.977
Base-Backbone interact. energy: -1.683
local terms energy: -533.727784
where:
bonds (distance) C4'-P energy: -93.596
bonds (distance) P-C4' energy: -102.968
flat angles C4'-P-C4' energy: -114.264
flat angles P-C4'-P energy: -71.962
tors. eta vs tors. theta energy: -150.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1733.405056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.405056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.405056 (E_RNA)
where:
Base-Base interactions energy: -1197.020
where: short stacking energy: -509.358
Base-Backbone interact. energy: -1.022
local terms energy: -535.362954
where:
bonds (distance) C4'-P energy: -101.556
bonds (distance) P-C4' energy: -106.726
flat angles C4'-P-C4' energy: -114.688
flat angles P-C4'-P energy: -72.897
tors. eta vs tors. theta energy: -139.497
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: 5
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1630.557667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.557667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.557667 (E_RNA)
where:
Base-Base interactions energy: -1125.492
where: short stacking energy: -479.114
Base-Backbone interact. energy: 2.162
local terms energy: -507.227945
where:
bonds (distance) C4'-P energy: -92.068
bonds (distance) P-C4' energy: -103.712
flat angles C4'-P-C4' energy: -106.700
flat angles P-C4'-P energy: -81.713
tors. eta vs tors. theta energy: -123.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1557.584543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.584543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.584543 (E_RNA)
where:
Base-Base interactions energy: -1097.722
where: short stacking energy: -438.014
Base-Backbone interact. energy: 0.051
local terms energy: -459.913777
where:
bonds (distance) C4'-P energy: -93.768
bonds (distance) P-C4' energy: -95.168
flat angles C4'-P-C4' energy: -99.091
flat angles P-C4'-P energy: -62.501
tors. eta vs tors. theta energy: -109.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1437.247673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.247673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.247673 (E_RNA)
where:
Base-Base interactions energy: -992.460
where: short stacking energy: -408.517
Base-Backbone interact. energy: -1.597
local terms energy: -443.190499
where:
bonds (distance) C4'-P energy: -78.327
bonds (distance) P-C4' energy: -89.843
flat angles C4'-P-C4' energy: -103.196
flat angles P-C4'-P energy: -59.718
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: 7, replica: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1318.332879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.332879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.332879 (E_RNA)
where:
Base-Base interactions energy: -863.906
where: short stacking energy: -382.856
Base-Backbone interact. energy: -0.775
local terms energy: -453.651910
where:
bonds (distance) C4'-P energy: -100.574
bonds (distance) P-C4' energy: -96.235
flat angles C4'-P-C4' energy: -104.119
flat angles P-C4'-P energy: -66.023
tors. eta vs tors. theta energy: -86.701
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: 274
Temperature: 1.250000
Total energy: -1124.381280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.381280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.381280 (E_RNA)
where:
Base-Base interactions energy: -733.575
where: short stacking energy: -329.872
Base-Backbone interact. energy: 0.207
local terms energy: -391.012723
where:
bonds (distance) C4'-P energy: -91.897
bonds (distance) P-C4' energy: -86.835
flat angles C4'-P-C4' energy: -88.872
flat angles P-C4'-P energy: -58.714
tors. eta vs tors. theta energy: -64.696
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: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -739.188861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.188861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.188861 (E_RNA)
where:
Base-Base interactions energy: -411.527
where: short stacking energy: -231.380
Base-Backbone interact. energy: -0.113
local terms energy: -327.548506
where:
bonds (distance) C4'-P energy: -79.799
bonds (distance) P-C4' energy: -90.195
flat angles C4'-P-C4' energy: -88.936
flat angles P-C4'-P energy: -38.123
tors. eta vs tors. theta energy: -30.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -617.869678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.869678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.869678 (E_RNA)
where:
Base-Base interactions energy: -350.388
where: short stacking energy: -166.533
Base-Backbone interact. energy: -0.056
local terms energy: -267.425437
where:
bonds (distance) C4'-P energy: -62.604
bonds (distance) P-C4' energy: -87.112
flat angles C4'-P-C4' energy: -74.906
flat angles P-C4'-P energy: -42.553
tors. eta vs tors. theta energy: -0.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1857.359097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.359097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.359097 (E_RNA)
where:
Base-Base interactions energy: -1310.897
where: short stacking energy: -531.720
Base-Backbone interact. energy: -3.035
local terms energy: -543.427856
where:
bonds (distance) C4'-P energy: -95.648
bonds (distance) P-C4' energy: -97.633
flat angles C4'-P-C4' energy: -125.122
flat angles P-C4'-P energy: -84.685
tors. eta vs tors. theta energy: -140.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1821.326237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.326237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.326237 (E_RNA)
where:
Base-Base interactions energy: -1291.711
where: short stacking energy: -519.589
Base-Backbone interact. energy: -2.012
local terms energy: -527.603010
where:
bonds (distance) C4'-P energy: -101.880
bonds (distance) P-C4' energy: -95.209
flat angles C4'-P-C4' energy: -114.991
flat angles P-C4'-P energy: -71.780
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: 3, replica: 6
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1741.819496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.819496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.819496 (E_RNA)
where:
Base-Base interactions energy: -1207.644
where: short stacking energy: -496.922
Base-Backbone interact. energy: 0.280
local terms energy: -534.454917
where:
bonds (distance) C4'-P energy: -99.167
bonds (distance) P-C4' energy: -97.967
flat angles C4'-P-C4' energy: -112.556
flat angles P-C4'-P energy: -82.465
tors. eta vs tors. theta energy: -142.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1638.686754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.686754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.686754 (E_RNA)
where:
Base-Base interactions energy: -1159.959
where: short stacking energy: -489.107
Base-Backbone interact. energy: -0.695
local terms energy: -478.032732
where:
bonds (distance) C4'-P energy: -91.755
bonds (distance) P-C4' energy: -92.355
flat angles C4'-P-C4' energy: -104.471
flat angles P-C4'-P energy: -68.050
tors. eta vs tors. theta energy: -121.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1514.144597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.144597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.144597 (E_RNA)
where:
Base-Base interactions energy: -1026.677
where: short stacking energy: -432.213
Base-Backbone interact. energy: -3.651
local terms energy: -483.816868
where:
bonds (distance) C4'-P energy: -93.615
bonds (distance) P-C4' energy: -94.922
flat angles C4'-P-C4' energy: -110.380
flat angles P-C4'-P energy: -69.936
tors. eta vs tors. theta energy: -114.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1457.560716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.560716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.560716 (E_RNA)
where:
Base-Base interactions energy: -1003.677
where: short stacking energy: -442.634
Base-Backbone interact. energy: 0.934
local terms energy: -454.817966
where:
bonds (distance) C4'-P energy: -83.972
bonds (distance) P-C4' energy: -89.568
flat angles C4'-P-C4' energy: -108.684
flat angles P-C4'-P energy: -71.090
tors. eta vs tors. theta energy: -101.504
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: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1310.261038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.261038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.261038 (E_RNA)
where:
Base-Base interactions energy: -882.573
where: short stacking energy: -407.014
Base-Backbone interact. energy: -3.237
local terms energy: -424.451779
where:
bonds (distance) C4'-P energy: -70.404
bonds (distance) P-C4' energy: -82.157
flat angles C4'-P-C4' energy: -108.236
flat angles P-C4'-P energy: -64.906
tors. eta vs tors. theta energy: -98.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1167.874529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.874529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.874529 (E_RNA)
where:
Base-Base interactions energy: -747.649
where: short stacking energy: -314.640
Base-Backbone interact. energy: -1.236
local terms energy: -418.989817
where:
bonds (distance) C4'-P energy: -79.900
bonds (distance) P-C4' energy: -99.220
flat angles C4'-P-C4' energy: -106.313
flat angles P-C4'-P energy: -53.930
tors. eta vs tors. theta energy: -79.627
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: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -754.207259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.207259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.207259 (E_RNA)
where:
Base-Base interactions energy: -440.840
where: short stacking energy: -243.363
Base-Backbone interact. energy: -0.039
local terms energy: -313.328026
where:
bonds (distance) C4'-P energy: -71.290
bonds (distance) P-C4' energy: -85.259
flat angles C4'-P-C4' energy: -84.321
flat angles P-C4'-P energy: -37.864
tors. eta vs tors. theta energy: -34.595
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: 275
Temperature: 1.350000
Total energy: -591.836824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.836824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.836824 (E_RNA)
where:
Base-Base interactions energy: -302.447
where: short stacking energy: -174.685
Base-Backbone interact. energy: 2.768
local terms energy: -292.158052
where:
bonds (distance) C4'-P energy: -80.937
bonds (distance) P-C4' energy: -92.627
flat angles C4'-P-C4' energy: -66.026
flat angles P-C4'-P energy: -47.477
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1884.520653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.520653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.520653 (E_RNA)
where:
Base-Base interactions energy: -1350.561
where: short stacking energy: -546.648
Base-Backbone interact. energy: -1.160
local terms energy: -532.799438
where:
bonds (distance) C4'-P energy: -94.511
bonds (distance) P-C4' energy: -104.759
flat angles C4'-P-C4' energy: -110.833
flat angles P-C4'-P energy: -68.558
tors. eta vs tors. theta energy: -154.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1841.646907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.646907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.646907 (E_RNA)
where:
Base-Base interactions energy: -1296.562
where: short stacking energy: -532.571
Base-Backbone interact. energy: -5.168
local terms energy: -539.916560
where:
bonds (distance) C4'-P energy: -100.411
bonds (distance) P-C4' energy: -104.120
flat angles C4'-P-C4' energy: -113.003
flat angles P-C4'-P energy: -71.979
tors. eta vs tors. theta energy: -150.402
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: 3, replica: 6
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1708.529407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.529407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.529407 (E_RNA)
where:
Base-Base interactions energy: -1169.523
where: short stacking energy: -466.551
Base-Backbone interact. energy: -1.895
local terms energy: -537.111667
where:
bonds (distance) C4'-P energy: -103.057
bonds (distance) P-C4' energy: -90.854
flat angles C4'-P-C4' energy: -114.144
flat angles P-C4'-P energy: -83.425
tors. eta vs tors. theta energy: -145.632
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: 4, replica: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1624.385761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.385761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.385761 (E_RNA)
where:
Base-Base interactions energy: -1140.650
where: short stacking energy: -460.545
Base-Backbone interact. energy: -1.867
local terms energy: -481.869004
where:
bonds (distance) C4'-P energy: -87.937
bonds (distance) P-C4' energy: -94.657
flat angles C4'-P-C4' energy: -107.072
flat angles P-C4'-P energy: -75.457
tors. eta vs tors. theta energy: -116.747
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: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1529.693267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.693267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.693267 (E_RNA)
where:
Base-Base interactions energy: -1047.445
where: short stacking energy: -434.257
Base-Backbone interact. energy: -1.467
local terms energy: -480.781670
where:
bonds (distance) C4'-P energy: -106.415
bonds (distance) P-C4' energy: -94.081
flat angles C4'-P-C4' energy: -106.500
flat angles P-C4'-P energy: -63.354
tors. eta vs tors. theta energy: -110.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1500.839436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.839436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.839436 (E_RNA)
where:
Base-Base interactions energy: -1019.104
where: short stacking energy: -439.719
Base-Backbone interact. energy: -1.963
local terms energy: -479.772596
where:
bonds (distance) C4'-P energy: -91.243
bonds (distance) P-C4' energy: -88.089
flat angles C4'-P-C4' energy: -107.575
flat angles P-C4'-P energy: -84.481
tors. eta vs tors. theta energy: -108.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1310.426890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.426890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.426890 (E_RNA)
where:
Base-Base interactions energy: -856.607
where: short stacking energy: -345.235
Base-Backbone interact. energy: -1.288
local terms energy: -452.531251
where:
bonds (distance) C4'-P energy: -110.817
bonds (distance) P-C4' energy: -92.537
flat angles C4'-P-C4' energy: -96.434
flat angles P-C4'-P energy: -68.187
tors. eta vs tors. theta energy: -84.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1138.707432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.707432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.707432 (E_RNA)
where:
Base-Base interactions energy: -744.570
where: short stacking energy: -306.044
Base-Backbone interact. energy: -0.498
local terms energy: -393.638780
where:
bonds (distance) C4'-P energy: -82.276
bonds (distance) P-C4' energy: -95.229
flat angles C4'-P-C4' energy: -87.865
flat angles P-C4'-P energy: -66.056
tors. eta vs tors. theta energy: -62.213
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: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -695.820253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.820253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.820253 (E_RNA)
where:
Base-Base interactions energy: -357.540
where: short stacking energy: -190.299
Base-Backbone interact. energy: -0.662
local terms energy: -337.618588
where:
bonds (distance) C4'-P energy: -90.458
bonds (distance) P-C4' energy: -81.932
flat angles C4'-P-C4' energy: -84.390
flat angles P-C4'-P energy: -57.258
tors. eta vs tors. theta energy: -23.581
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: 276
Temperature: 1.350000
Total energy: -618.982337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.982337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.982337 (E_RNA)
where:
Base-Base interactions energy: -320.855
where: short stacking energy: -171.554
Base-Backbone interact. energy: 0.869
local terms energy: -298.996604
where:
bonds (distance) C4'-P energy: -86.316
bonds (distance) P-C4' energy: -91.964
flat angles C4'-P-C4' energy: -77.575
flat angles P-C4'-P energy: -32.908
tors. eta vs tors. theta energy: -10.234
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: 277
Temperature: 0.900000
Total energy: -1872.096886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.096886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.096886 (E_RNA)
where:
Base-Base interactions energy: -1303.646
where: short stacking energy: -532.961
Base-Backbone interact. energy: -2.543
local terms energy: -565.908184
where:
bonds (distance) C4'-P energy: -104.230
bonds (distance) P-C4' energy: -110.133
flat angles C4'-P-C4' energy: -114.957
flat angles P-C4'-P energy: -78.606
tors. eta vs tors. theta energy: -157.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1844.822365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.822365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.822365 (E_RNA)
where:
Base-Base interactions energy: -1316.195
where: short stacking energy: -519.317
Base-Backbone interact. energy: -4.134
local terms energy: -524.493780
where:
bonds (distance) C4'-P energy: -98.162
bonds (distance) P-C4' energy: -100.285
flat angles C4'-P-C4' energy: -112.680
flat angles P-C4'-P energy: -63.490
tors. eta vs tors. theta energy: -149.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1692.355237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.355237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.355237 (E_RNA)
where:
Base-Base interactions energy: -1192.801
where: short stacking energy: -500.370
Base-Backbone interact. energy: -2.278
local terms energy: -497.276061
where:
bonds (distance) C4'-P energy: -99.597
bonds (distance) P-C4' energy: -91.756
flat angles C4'-P-C4' energy: -105.568
flat angles P-C4'-P energy: -69.347
tors. eta vs tors. theta energy: -131.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1620.395709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.395709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.395709 (E_RNA)
where:
Base-Base interactions energy: -1110.719
where: short stacking energy: -449.071
Base-Backbone interact. energy: -5.442
local terms energy: -504.234034
where:
bonds (distance) C4'-P energy: -83.159
bonds (distance) P-C4' energy: -90.217
flat angles C4'-P-C4' energy: -110.052
flat angles P-C4'-P energy: -82.541
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: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1575.467732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.467732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.467732 (E_RNA)
where:
Base-Base interactions energy: -1081.203
where: short stacking energy: -468.588
Base-Backbone interact. energy: -5.003
local terms energy: -489.261628
where:
bonds (distance) C4'-P energy: -83.056
bonds (distance) P-C4' energy: -102.556
flat angles C4'-P-C4' energy: -117.045
flat angles P-C4'-P energy: -65.550
tors. eta vs tors. theta energy: -121.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1463.442117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.442117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.442117 (E_RNA)
where:
Base-Base interactions energy: -1000.346
where: short stacking energy: -439.121
Base-Backbone interact. energy: -1.583
local terms energy: -461.512478
where:
bonds (distance) C4'-P energy: -82.354
bonds (distance) P-C4' energy: -99.173
flat angles C4'-P-C4' energy: -91.253
flat angles P-C4'-P energy: -79.615
tors. eta vs tors. theta energy: -109.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1282.975747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.975747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.975747 (E_RNA)
where:
Base-Base interactions energy: -869.608
where: short stacking energy: -391.177
Base-Backbone interact. energy: 0.451
local terms energy: -413.819507
where:
bonds (distance) C4'-P energy: -77.824
bonds (distance) P-C4' energy: -75.668
flat angles C4'-P-C4' energy: -114.307
flat angles P-C4'-P energy: -61.197
tors. eta vs tors. theta energy: -84.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1130.821502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.821502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.821502 (E_RNA)
where:
Base-Base interactions energy: -766.040
where: short stacking energy: -313.862
Base-Backbone interact. energy: -5.816
local terms energy: -358.965038
where:
bonds (distance) C4'-P energy: -96.177
bonds (distance) P-C4' energy: -69.566
flat angles C4'-P-C4' energy: -82.585
flat angles P-C4'-P energy: -45.356
tors. eta vs tors. theta energy: -65.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -774.009848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.009848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.009848 (E_RNA)
where:
Base-Base interactions energy: -416.261
where: short stacking energy: -219.834
Base-Backbone interact. energy: 2.109
local terms energy: -359.857995
where:
bonds (distance) C4'-P energy: -101.804
bonds (distance) P-C4' energy: -83.128
flat angles C4'-P-C4' energy: -77.979
flat angles P-C4'-P energy: -56.913
tors. eta vs tors. theta energy: -40.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -545.693976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.693976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.693976 (E_RNA)
where:
Base-Base interactions energy: -257.498
where: short stacking energy: -168.234
Base-Backbone interact. energy: 2.885
local terms energy: -291.081560
where:
bonds (distance) C4'-P energy: -92.237
bonds (distance) P-C4' energy: -87.911
flat angles C4'-P-C4' energy: -70.186
flat angles P-C4'-P energy: -35.145
tors. eta vs tors. theta energy: -5.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1886.569874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.569874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.569874 (E_RNA)
where:
Base-Base interactions energy: -1331.043
where: short stacking energy: -557.922
Base-Backbone interact. energy: -0.065
local terms energy: -555.462038
where:
bonds (distance) C4'-P energy: -104.927
bonds (distance) P-C4' energy: -106.068
flat angles C4'-P-C4' energy: -120.391
flat angles P-C4'-P energy: -69.446
tors. eta vs tors. theta energy: -154.630
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: 278
Temperature: 0.950000
Total energy: -1816.983775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.983775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.983775 (E_RNA)
where:
Base-Base interactions energy: -1290.060
where: short stacking energy: -503.551
Base-Backbone interact. energy: -2.556
local terms energy: -524.368221
where:
bonds (distance) C4'-P energy: -95.344
bonds (distance) P-C4' energy: -108.058
flat angles C4'-P-C4' energy: -117.868
flat angles P-C4'-P energy: -62.037
tors. eta vs tors. theta energy: -141.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1718.161673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.161673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.161673 (E_RNA)
where:
Base-Base interactions energy: -1192.481
where: short stacking energy: -529.286
Base-Backbone interact. energy: -0.179
local terms energy: -525.501505
where:
bonds (distance) C4'-P energy: -91.986
bonds (distance) P-C4' energy: -101.581
flat angles C4'-P-C4' energy: -108.530
flat angles P-C4'-P energy: -72.989
tors. eta vs tors. theta energy: -150.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1669.770956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.770956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.770956 (E_RNA)
where:
Base-Base interactions energy: -1157.906
where: short stacking energy: -482.200
Base-Backbone interact. energy: 2.110
local terms energy: -513.974704
where:
bonds (distance) C4'-P energy: -84.538
bonds (distance) P-C4' energy: -111.262
flat angles C4'-P-C4' energy: -118.505
flat angles P-C4'-P energy: -69.181
tors. eta vs tors. theta energy: -130.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1559.712130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.712130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.712130 (E_RNA)
where:
Base-Base interactions energy: -1085.069
where: short stacking energy: -476.153
Base-Backbone interact. energy: -3.497
local terms energy: -471.146016
where:
bonds (distance) C4'-P energy: -86.834
bonds (distance) P-C4' energy: -98.311
flat angles C4'-P-C4' energy: -111.228
flat angles P-C4'-P energy: -64.315
tors. eta vs tors. theta energy: -110.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1449.825350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.825350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.825350 (E_RNA)
where:
Base-Base interactions energy: -1011.572
where: short stacking energy: -415.148
Base-Backbone interact. energy: 0.015
local terms energy: -438.269016
where:
bonds (distance) C4'-P energy: -71.959
bonds (distance) P-C4' energy: -89.563
flat angles C4'-P-C4' energy: -103.975
flat angles P-C4'-P energy: -62.469
tors. eta vs tors. theta energy: -110.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1325.422100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.422100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.422100 (E_RNA)
where:
Base-Base interactions energy: -910.994
where: short stacking energy: -374.670
Base-Backbone interact. energy: -2.237
local terms energy: -412.190981
where:
bonds (distance) C4'-P energy: -87.921
bonds (distance) P-C4' energy: -78.736
flat angles C4'-P-C4' energy: -88.021
flat angles P-C4'-P energy: -65.728
tors. eta vs tors. theta energy: -91.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1133.353683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.353683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.353683 (E_RNA)
where:
Base-Base interactions energy: -788.345
where: short stacking energy: -344.001
Base-Backbone interact. energy: 1.565
local terms energy: -346.573323
where:
bonds (distance) C4'-P energy: -84.098
bonds (distance) P-C4' energy: -71.744
flat angles C4'-P-C4' energy: -83.549
flat angles P-C4'-P energy: -40.595
tors. eta vs tors. theta energy: -66.586
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: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -761.926882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.926882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.926882 (E_RNA)
where:
Base-Base interactions energy: -439.174
where: short stacking energy: -237.113
Base-Backbone interact. energy: -2.301
local terms energy: -320.451968
where:
bonds (distance) C4'-P energy: -87.307
bonds (distance) P-C4' energy: -95.278
flat angles C4'-P-C4' energy: -67.929
flat angles P-C4'-P energy: -44.431
tors. eta vs tors. theta energy: -25.507
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: 278
Temperature: 1.350000
Total energy: -554.126815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.126815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.126815 (E_RNA)
where:
Base-Base interactions energy: -262.480
where: short stacking energy: -159.959
Base-Backbone interact. energy: -0.871
local terms energy: -290.775726
where:
bonds (distance) C4'-P energy: -86.925
bonds (distance) P-C4' energy: -82.679
flat angles C4'-P-C4' energy: -75.765
flat angles P-C4'-P energy: -34.262
tors. eta vs tors. theta energy: -11.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1867.046864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.046864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.046864 (E_RNA)
where:
Base-Base interactions energy: -1312.921
where: short stacking energy: -537.980
Base-Backbone interact. energy: 1.611
local terms energy: -555.737454
where:
bonds (distance) C4'-P energy: -98.946
bonds (distance) P-C4' energy: -105.533
flat angles C4'-P-C4' energy: -122.753
flat angles P-C4'-P energy: -74.028
tors. eta vs tors. theta energy: -154.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1857.989443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.989443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.989443 (E_RNA)
where:
Base-Base interactions energy: -1311.388
where: short stacking energy: -520.974
Base-Backbone interact. energy: -3.223
local terms energy: -543.378118
where:
bonds (distance) C4'-P energy: -94.554
bonds (distance) P-C4' energy: -110.345
flat angles C4'-P-C4' energy: -117.416
flat angles P-C4'-P energy: -79.560
tors. eta vs tors. theta energy: -141.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1710.224627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.224627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.224627 (E_RNA)
where:
Base-Base interactions energy: -1182.416
where: short stacking energy: -509.284
Base-Backbone interact. energy: -0.943
local terms energy: -526.865853
where:
bonds (distance) C4'-P energy: -97.042
bonds (distance) P-C4' energy: -106.032
flat angles C4'-P-C4' energy: -117.565
flat angles P-C4'-P energy: -67.241
tors. eta vs tors. theta energy: -138.986
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: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1644.566663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.566663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.566663 (E_RNA)
where:
Base-Base interactions energy: -1141.589
where: short stacking energy: -485.883
Base-Backbone interact. energy: -2.372
local terms energy: -500.606409
where:
bonds (distance) C4'-P energy: -90.102
bonds (distance) P-C4' energy: -107.864
flat angles C4'-P-C4' energy: -103.997
flat angles P-C4'-P energy: -73.943
tors. eta vs tors. theta energy: -124.701
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: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1523.214075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.214075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.214075 (E_RNA)
where:
Base-Base interactions energy: -1051.422
where: short stacking energy: -439.398
Base-Backbone interact. energy: 1.050
local terms energy: -472.842576
where:
bonds (distance) C4'-P energy: -97.975
bonds (distance) P-C4' energy: -88.907
flat angles C4'-P-C4' energy: -108.073
flat angles P-C4'-P energy: -68.245
tors. eta vs tors. theta energy: -109.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1489.638440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.638440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.638440 (E_RNA)
where:
Base-Base interactions energy: -1026.046
where: short stacking energy: -430.784
Base-Backbone interact. energy: 6.746
local terms energy: -470.338179
where:
bonds (distance) C4'-P energy: -112.437
bonds (distance) P-C4' energy: -95.177
flat angles C4'-P-C4' energy: -113.186
flat angles P-C4'-P energy: -43.426
tors. eta vs tors. theta energy: -106.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1300.015195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.015195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.015195 (E_RNA)
where:
Base-Base interactions energy: -891.147
where: short stacking energy: -358.139
Base-Backbone interact. energy: -2.476
local terms energy: -406.392589
where:
bonds (distance) C4'-P energy: -87.434
bonds (distance) P-C4' energy: -97.694
flat angles C4'-P-C4' energy: -84.790
flat angles P-C4'-P energy: -56.427
tors. eta vs tors. theta energy: -80.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -1113.792413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.792413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.792413 (E_RNA)
where:
Base-Base interactions energy: -721.480
where: short stacking energy: -301.735
Base-Backbone interact. energy: -2.008
local terms energy: -390.304595
where:
bonds (distance) C4'-P energy: -75.766
bonds (distance) P-C4' energy: -94.972
flat angles C4'-P-C4' energy: -92.810
flat angles P-C4'-P energy: -53.269
tors. eta vs tors. theta energy: -73.487
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: 9
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -727.335870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.335870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.335870 (E_RNA)
where:
Base-Base interactions energy: -398.813
where: short stacking energy: -193.628
Base-Backbone interact. energy: -2.883
local terms energy: -325.640672
where:
bonds (distance) C4'-P energy: -71.524
bonds (distance) P-C4' energy: -99.478
flat angles C4'-P-C4' energy: -81.989
flat angles P-C4'-P energy: -52.297
tors. eta vs tors. theta energy: -20.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -565.939252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.939252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.939252 (E_RNA)
where:
Base-Base interactions energy: -267.889
where: short stacking energy: -141.723
Base-Backbone interact. energy: 4.962
local terms energy: -303.012864
where:
bonds (distance) C4'-P energy: -87.914
bonds (distance) P-C4' energy: -81.225
flat angles C4'-P-C4' energy: -82.761
flat angles P-C4'-P energy: -54.342
tors. eta vs tors. theta energy: 3.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1884.512518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.512518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.512518 (E_RNA)
where:
Base-Base interactions energy: -1349.173
where: short stacking energy: -526.374
Base-Backbone interact. energy: -1.853
local terms energy: -533.485998
where:
bonds (distance) C4'-P energy: -95.781
bonds (distance) P-C4' energy: -104.539
flat angles C4'-P-C4' energy: -117.598
flat angles P-C4'-P energy: -78.444
tors. eta vs tors. theta energy: -137.124
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: 280
Temperature: 0.950000
Total energy: -1847.447464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.447464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.447464 (E_RNA)
where:
Base-Base interactions energy: -1298.800
where: short stacking energy: -537.790
Base-Backbone interact. energy: 0.677
local terms energy: -549.323915
where:
bonds (distance) C4'-P energy: -102.783
bonds (distance) P-C4' energy: -102.815
flat angles C4'-P-C4' energy: -119.603
flat angles P-C4'-P energy: -69.332
tors. eta vs tors. theta energy: -154.792
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: 6
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1715.704996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.704996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.704996 (E_RNA)
where:
Base-Base interactions energy: -1182.584
where: short stacking energy: -490.057
Base-Backbone interact. energy: -1.575
local terms energy: -531.546365
where:
bonds (distance) C4'-P energy: -96.023
bonds (distance) P-C4' energy: -92.792
flat angles C4'-P-C4' energy: -122.015
flat angles P-C4'-P energy: -76.372
tors. eta vs tors. theta energy: -144.344
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: 5
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1700.552478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.552478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.552478 (E_RNA)
where:
Base-Base interactions energy: -1196.582
where: short stacking energy: -513.260
Base-Backbone interact. energy: -0.050
local terms energy: -503.920951
where:
bonds (distance) C4'-P energy: -85.839
bonds (distance) P-C4' energy: -97.112
flat angles C4'-P-C4' energy: -111.262
flat angles P-C4'-P energy: -80.145
tors. eta vs tors. theta energy: -129.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1508.528106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.528106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.528106 (E_RNA)
where:
Base-Base interactions energy: -1029.680
where: short stacking energy: -424.426
Base-Backbone interact. energy: 3.362
local terms energy: -482.209627
where:
bonds (distance) C4'-P energy: -86.381
bonds (distance) P-C4' energy: -98.436
flat angles C4'-P-C4' energy: -111.960
flat angles P-C4'-P energy: -70.810
tors. eta vs tors. theta energy: -114.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1497.615400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.615400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.615400 (E_RNA)
where:
Base-Base interactions energy: -1015.900
where: short stacking energy: -419.244
Base-Backbone interact. energy: -1.130
local terms energy: -480.585361
where:
bonds (distance) C4'-P energy: -92.343
bonds (distance) P-C4' energy: -101.794
flat angles C4'-P-C4' energy: -108.098
flat angles P-C4'-P energy: -68.234
tors. eta vs tors. theta energy: -110.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1322.779201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.779201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.779201 (E_RNA)
where:
Base-Base interactions energy: -892.859
where: short stacking energy: -366.782
Base-Backbone interact. energy: -3.926
local terms energy: -425.993528
where:
bonds (distance) C4'-P energy: -88.031
bonds (distance) P-C4' energy: -76.797
flat angles C4'-P-C4' energy: -95.883
flat angles P-C4'-P energy: -72.955
tors. eta vs tors. theta energy: -92.328
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: 7
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1152.169542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.169542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.169542 (E_RNA)
where:
Base-Base interactions energy: -748.416
where: short stacking energy: -351.752
Base-Backbone interact. energy: 0.137
local terms energy: -403.890513
where:
bonds (distance) C4'-P energy: -81.297
bonds (distance) P-C4' energy: -82.914
flat angles C4'-P-C4' energy: -84.791
flat angles P-C4'-P energy: -60.467
tors. eta vs tors. theta energy: -94.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -791.573527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.573527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.573527 (E_RNA)
where:
Base-Base interactions energy: -478.736
where: short stacking energy: -252.686
Base-Backbone interact. energy: 0.143
local terms energy: -312.980525
where:
bonds (distance) C4'-P energy: -72.247
bonds (distance) P-C4' energy: -80.409
flat angles C4'-P-C4' energy: -82.879
flat angles P-C4'-P energy: -45.434
tors. eta vs tors. theta energy: -32.012
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: 280
Temperature: 1.350000
Total energy: -554.352292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.352292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.352292 (E_RNA)
where:
Base-Base interactions energy: -276.814
where: short stacking energy: -165.725
Base-Backbone interact. energy: -0.934
local terms energy: -276.604436
where:
bonds (distance) C4'-P energy: -73.848
bonds (distance) P-C4' energy: -98.993
flat angles C4'-P-C4' energy: -58.376
flat angles P-C4'-P energy: -38.646
tors. eta vs tors. theta energy: -6.741
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: 1
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1890.349092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.349092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.349092 (E_RNA)
where:
Base-Base interactions energy: -1343.176
where: short stacking energy: -535.435
Base-Backbone interact. energy: -2.609
local terms energy: -544.563538
where:
bonds (distance) C4'-P energy: -98.895
bonds (distance) P-C4' energy: -110.451
flat angles C4'-P-C4' energy: -109.948
flat angles P-C4'-P energy: -74.594
tors. eta vs tors. theta energy: -150.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1818.016666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.016666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.016666 (E_RNA)
where:
Base-Base interactions energy: -1285.964
where: short stacking energy: -525.259
Base-Backbone interact. energy: -3.886
local terms energy: -528.165786
where:
bonds (distance) C4'-P energy: -100.303
bonds (distance) P-C4' energy: -112.276
flat angles C4'-P-C4' energy: -114.603
flat angles P-C4'-P energy: -60.980
tors. eta vs tors. theta energy: -140.004
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: 6
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1724.298197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.298197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.298197 (E_RNA)
where:
Base-Base interactions energy: -1208.713
where: short stacking energy: -516.823
Base-Backbone interact. energy: -0.217
local terms energy: -515.367820
where:
bonds (distance) C4'-P energy: -95.158
bonds (distance) P-C4' energy: -100.580
flat angles C4'-P-C4' energy: -110.263
flat angles P-C4'-P energy: -69.143
tors. eta vs tors. theta energy: -140.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1643.318533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.318533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.318533 (E_RNA)
where:
Base-Base interactions energy: -1148.337
where: short stacking energy: -476.884
Base-Backbone interact. energy: 0.335
local terms energy: -495.316523
where:
bonds (distance) C4'-P energy: -98.639
bonds (distance) P-C4' energy: -101.543
flat angles C4'-P-C4' energy: -104.268
flat angles P-C4'-P energy: -70.108
tors. eta vs tors. theta energy: -120.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1533.451268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.451268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.451268 (E_RNA)
where:
Base-Base interactions energy: -1090.194
where: short stacking energy: -459.904
Base-Backbone interact. energy: -0.161
local terms energy: -443.096208
where:
bonds (distance) C4'-P energy: -84.408
bonds (distance) P-C4' energy: -76.278
flat angles C4'-P-C4' energy: -91.568
flat angles P-C4'-P energy: -70.966
tors. eta vs tors. theta energy: -119.877
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: 281
Temperature: 1.150000
Total energy: -1526.843046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.843046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.843046 (E_RNA)
where:
Base-Base interactions energy: -1082.138
where: short stacking energy: -436.649
Base-Backbone interact. energy: 2.904
local terms energy: -447.608783
where:
bonds (distance) C4'-P energy: -91.167
bonds (distance) P-C4' energy: -85.544
flat angles C4'-P-C4' energy: -99.825
flat angles P-C4'-P energy: -61.234
tors. eta vs tors. theta energy: -109.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1324.858006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.858006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.858006 (E_RNA)
where:
Base-Base interactions energy: -900.036
where: short stacking energy: -373.417
Base-Backbone interact. energy: -2.276
local terms energy: -422.546523
where:
bonds (distance) C4'-P energy: -83.024
bonds (distance) P-C4' energy: -80.043
flat angles C4'-P-C4' energy: -100.430
flat angles P-C4'-P energy: -67.814
tors. eta vs tors. theta energy: -91.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -1148.054737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.054737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.054737 (E_RNA)
where:
Base-Base interactions energy: -751.684
where: short stacking energy: -326.991
Base-Backbone interact. energy: 3.538
local terms energy: -399.909043
where:
bonds (distance) C4'-P energy: -77.965
bonds (distance) P-C4' energy: -90.646
flat angles C4'-P-C4' energy: -93.735
flat angles P-C4'-P energy: -64.562
tors. eta vs tors. theta energy: -73.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -746.488617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.488617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.488617 (E_RNA)
where:
Base-Base interactions energy: -405.848
where: short stacking energy: -185.001
Base-Backbone interact. energy: 0.032
local terms energy: -340.672637
where:
bonds (distance) C4'-P energy: -84.636
bonds (distance) P-C4' energy: -92.022
flat angles C4'-P-C4' energy: -84.832
flat angles P-C4'-P energy: -66.897
tors. eta vs tors. theta energy: -12.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -560.623945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.623945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.623945 (E_RNA)
where:
Base-Base interactions energy: -249.593
where: short stacking energy: -150.220
Base-Backbone interact. energy: -1.246
local terms energy: -309.784785
where:
bonds (distance) C4'-P energy: -95.193
bonds (distance) P-C4' energy: -91.156
flat angles C4'-P-C4' energy: -76.954
flat angles P-C4'-P energy: -55.954
tors. eta vs tors. theta energy: 9.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1873.390157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.390157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.390157 (E_RNA)
where:
Base-Base interactions energy: -1337.004
where: short stacking energy: -526.935
Base-Backbone interact. energy: -3.587
local terms energy: -532.799050
where:
bonds (distance) C4'-P energy: -99.509
bonds (distance) P-C4' energy: -116.974
flat angles C4'-P-C4' energy: -110.332
flat angles P-C4'-P energy: -73.004
tors. eta vs tors. theta energy: -132.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1852.791845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.791845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.791845 (E_RNA)
where:
Base-Base interactions energy: -1311.653
where: short stacking energy: -535.099
Base-Backbone interact. energy: -2.463
local terms energy: -538.675693
where:
bonds (distance) C4'-P energy: -91.317
bonds (distance) P-C4' energy: -111.280
flat angles C4'-P-C4' energy: -116.518
flat angles P-C4'-P energy: -76.593
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: 6
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1696.769193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.769193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.769193 (E_RNA)
where:
Base-Base interactions energy: -1172.176
where: short stacking energy: -478.358
Base-Backbone interact. energy: 0.552
local terms energy: -525.145443
where:
bonds (distance) C4'-P energy: -96.184
bonds (distance) P-C4' energy: -110.187
flat angles C4'-P-C4' energy: -108.975
flat angles P-C4'-P energy: -73.750
tors. eta vs tors. theta energy: -136.049
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: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1660.216953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.216953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.216953 (E_RNA)
where:
Base-Base interactions energy: -1152.547
where: short stacking energy: -491.427
Base-Backbone interact. energy: -1.336
local terms energy: -506.333731
where:
bonds (distance) C4'-P energy: -84.650
bonds (distance) P-C4' energy: -100.950
flat angles C4'-P-C4' energy: -109.114
flat angles P-C4'-P energy: -69.453
tors. eta vs tors. theta energy: -142.168
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: 4
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1524.609351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.609351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.609351 (E_RNA)
where:
Base-Base interactions energy: -1074.443
where: short stacking energy: -428.274
Base-Backbone interact. energy: 0.601
local terms energy: -450.767515
where:
bonds (distance) C4'-P energy: -67.855
bonds (distance) P-C4' energy: -91.018
flat angles C4'-P-C4' energy: -105.311
flat angles P-C4'-P energy: -68.563
tors. eta vs tors. theta energy: -118.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1462.189046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.189046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.189046 (E_RNA)
where:
Base-Base interactions energy: -1014.637
where: short stacking energy: -431.483
Base-Backbone interact. energy: -0.793
local terms energy: -446.759074
where:
bonds (distance) C4'-P energy: -90.413
bonds (distance) P-C4' energy: -95.966
flat angles C4'-P-C4' energy: -102.007
flat angles P-C4'-P energy: -55.168
tors. eta vs tors. theta energy: -103.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1330.807581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.807581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.807581 (E_RNA)
where:
Base-Base interactions energy: -905.381
where: short stacking energy: -376.998
Base-Backbone interact. energy: -2.215
local terms energy: -423.211717
where:
bonds (distance) C4'-P energy: -96.285
bonds (distance) P-C4' energy: -94.411
flat angles C4'-P-C4' energy: -103.090
flat angles P-C4'-P energy: -43.466
tors. eta vs tors. theta energy: -85.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1198.737415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.737415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.737415 (E_RNA)
where:
Base-Base interactions energy: -784.254
where: short stacking energy: -354.732
Base-Backbone interact. energy: -1.745
local terms energy: -412.738998
where:
bonds (distance) C4'-P energy: -85.887
bonds (distance) P-C4' energy: -83.075
flat angles C4'-P-C4' energy: -89.306
flat angles P-C4'-P energy: -72.395
tors. eta vs tors. theta energy: -82.075
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: 9
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -718.526299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.526299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.526299 (E_RNA)
where:
Base-Base interactions energy: -396.594
where: short stacking energy: -212.936
Base-Backbone interact. energy: -1.170
local terms energy: -320.762085
where:
bonds (distance) C4'-P energy: -79.524
bonds (distance) P-C4' energy: -108.243
flat angles C4'-P-C4' energy: -58.372
flat angles P-C4'-P energy: -49.552
tors. eta vs tors. theta energy: -25.072
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: 282
Temperature: 1.350000
Total energy: -533.039313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.039313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.039313 (E_RNA)
where:
Base-Base interactions energy: -272.320
where: short stacking energy: -180.107
Base-Backbone interact. energy: -3.132
local terms energy: -257.587330
where:
bonds (distance) C4'-P energy: -74.197
bonds (distance) P-C4' energy: -83.879
flat angles C4'-P-C4' energy: -65.227
flat angles P-C4'-P energy: -45.514
tors. eta vs tors. theta energy: 11.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1880.503163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.503163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.503163 (E_RNA)
where:
Base-Base interactions energy: -1338.916
where: short stacking energy: -511.454
Base-Backbone interact. energy: -4.933
local terms energy: -536.654222
where:
bonds (distance) C4'-P energy: -105.437
bonds (distance) P-C4' energy: -95.118
flat angles C4'-P-C4' energy: -111.249
flat angles P-C4'-P energy: -78.903
tors. eta vs tors. theta energy: -145.948
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: 2, replica: 2
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1854.235815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.235815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.235815 (E_RNA)
where:
Base-Base interactions energy: -1310.402
where: short stacking energy: -539.755
Base-Backbone interact. energy: 0.016
local terms energy: -543.849636
where:
bonds (distance) C4'-P energy: -103.556
bonds (distance) P-C4' energy: -103.036
flat angles C4'-P-C4' energy: -109.867
flat angles P-C4'-P energy: -75.354
tors. eta vs tors. theta energy: -152.036
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: 6
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1678.932686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.932686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.932686 (E_RNA)
where:
Base-Base interactions energy: -1145.248
where: short stacking energy: -485.300
Base-Backbone interact. energy: -0.006
local terms energy: -533.679212
where:
bonds (distance) C4'-P energy: -99.024
bonds (distance) P-C4' energy: -101.195
flat angles C4'-P-C4' energy: -114.269
flat angles P-C4'-P energy: -78.375
tors. eta vs tors. theta energy: -140.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1708.531555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.531555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.531555 (E_RNA)
where:
Base-Base interactions energy: -1200.385
where: short stacking energy: -510.278
Base-Backbone interact. energy: -1.764
local terms energy: -506.382690
where:
bonds (distance) C4'-P energy: -94.158
bonds (distance) P-C4' energy: -91.741
flat angles C4'-P-C4' energy: -111.846
flat angles P-C4'-P energy: -65.345
tors. eta vs tors. theta energy: -143.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1522.344580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.344580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.344580 (E_RNA)
where:
Base-Base interactions energy: -1058.116
where: short stacking energy: -429.960
Base-Backbone interact. energy: -1.091
local terms energy: -463.137614
where:
bonds (distance) C4'-P energy: -81.280
bonds (distance) P-C4' energy: -93.099
flat angles C4'-P-C4' energy: -96.091
flat angles P-C4'-P energy: -85.423
tors. eta vs tors. theta energy: -107.245
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: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1451.537713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.537713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.537713 (E_RNA)
where:
Base-Base interactions energy: -985.620
where: short stacking energy: -432.684
Base-Backbone interact. energy: -0.295
local terms energy: -465.622501
where:
bonds (distance) C4'-P energy: -95.398
bonds (distance) P-C4' energy: -87.556
flat angles C4'-P-C4' energy: -102.841
flat angles P-C4'-P energy: -68.943
tors. eta vs tors. theta energy: -110.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1376.097480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.097480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.097480 (E_RNA)
where:
Base-Base interactions energy: -928.257
where: short stacking energy: -369.709
Base-Backbone interact. energy: 3.167
local terms energy: -451.007309
where:
bonds (distance) C4'-P energy: -92.755
bonds (distance) P-C4' energy: -103.045
flat angles C4'-P-C4' energy: -93.392
flat angles P-C4'-P energy: -66.393
tors. eta vs tors. theta energy: -95.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1160.986111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.986111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.986111 (E_RNA)
where:
Base-Base interactions energy: -788.050
where: short stacking energy: -297.591
Base-Backbone interact. energy: -0.166
local terms energy: -372.770086
where:
bonds (distance) C4'-P energy: -77.799
bonds (distance) P-C4' energy: -96.615
flat angles C4'-P-C4' energy: -70.712
flat angles P-C4'-P energy: -59.111
tors. eta vs tors. theta energy: -68.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -759.422436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.422436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.422436 (E_RNA)
where:
Base-Base interactions energy: -456.060
where: short stacking energy: -228.249
Base-Backbone interact. energy: 2.488
local terms energy: -305.850913
where:
bonds (distance) C4'-P energy: -79.929
bonds (distance) P-C4' energy: -85.274
flat angles C4'-P-C4' energy: -83.429
flat angles P-C4'-P energy: -42.681
tors. eta vs tors. theta energy: -14.538
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: 283
Temperature: 1.350000
Total energy: -548.692067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.692067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.692067 (E_RNA)
where:
Base-Base interactions energy: -266.568
where: short stacking energy: -161.303
Base-Backbone interact. energy: 3.511
local terms energy: -285.634970
where:
bonds (distance) C4'-P energy: -89.264
bonds (distance) P-C4' energy: -87.414
flat angles C4'-P-C4' energy: -69.976
flat angles P-C4'-P energy: -41.978
tors. eta vs tors. theta energy: 2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1866.840804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.840804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.840804 (E_RNA)
where:
Base-Base interactions energy: -1334.414
where: short stacking energy: -526.796
Base-Backbone interact. energy: -0.573
local terms energy: -531.853316
where:
bonds (distance) C4'-P energy: -93.026
bonds (distance) P-C4' energy: -115.145
flat angles C4'-P-C4' energy: -108.472
flat angles P-C4'-P energy: -72.072
tors. eta vs tors. theta energy: -143.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1844.542375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.542375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.542375 (E_RNA)
where:
Base-Base interactions energy: -1296.414
where: short stacking energy: -530.251
Base-Backbone interact. energy: -2.968
local terms energy: -545.161147
where:
bonds (distance) C4'-P energy: -86.813
bonds (distance) P-C4' energy: -114.923
flat angles C4'-P-C4' energy: -117.016
flat angles P-C4'-P energy: -73.012
tors. eta vs tors. theta energy: -153.397
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: 5
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1708.813991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.813991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.813991 (E_RNA)
where:
Base-Base interactions energy: -1199.077
where: short stacking energy: -510.095
Base-Backbone interact. energy: -1.826
local terms energy: -507.910577
where:
bonds (distance) C4'-P energy: -95.463
bonds (distance) P-C4' energy: -96.286
flat angles C4'-P-C4' energy: -111.806
flat angles P-C4'-P energy: -64.092
tors. eta vs tors. theta energy: -140.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1644.213543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.213543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.213543 (E_RNA)
where:
Base-Base interactions energy: -1126.113
where: short stacking energy: -494.985
Base-Backbone interact. energy: 2.187
local terms energy: -520.287869
where:
bonds (distance) C4'-P energy: -92.743
bonds (distance) P-C4' energy: -94.970
flat angles C4'-P-C4' energy: -119.252
flat angles P-C4'-P energy: -74.091
tors. eta vs tors. theta energy: -139.231
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: 4
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1537.420545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.420545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.420545 (E_RNA)
where:
Base-Base interactions energy: -1055.384
where: short stacking energy: -425.330
Base-Backbone interact. energy: -1.783
local terms energy: -480.253772
where:
bonds (distance) C4'-P energy: -94.983
bonds (distance) P-C4' energy: -101.134
flat angles C4'-P-C4' energy: -101.719
flat angles P-C4'-P energy: -77.495
tors. eta vs tors. theta energy: -104.923
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: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1463.670950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.670950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.670950 (E_RNA)
where:
Base-Base interactions energy: -1014.405
where: short stacking energy: -429.046
Base-Backbone interact. energy: -1.864
local terms energy: -447.401817
where:
bonds (distance) C4'-P energy: -84.888
bonds (distance) P-C4' energy: -107.962
flat angles C4'-P-C4' energy: -87.453
flat angles P-C4'-P energy: -60.808
tors. eta vs tors. theta energy: -106.292
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: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1396.936839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.936839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.936839 (E_RNA)
where:
Base-Base interactions energy: -940.015
where: short stacking energy: -409.344
Base-Backbone interact. energy: -0.896
local terms energy: -456.026610
where:
bonds (distance) C4'-P energy: -89.998
bonds (distance) P-C4' energy: -98.050
flat angles C4'-P-C4' energy: -99.909
flat angles P-C4'-P energy: -56.173
tors. eta vs tors. theta energy: -111.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1162.360318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.360318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.360318 (E_RNA)
where:
Base-Base interactions energy: -779.573
where: short stacking energy: -344.947
Base-Backbone interact. energy: 1.835
local terms energy: -384.621985
where:
bonds (distance) C4'-P energy: -81.346
bonds (distance) P-C4' energy: -77.738
flat angles C4'-P-C4' energy: -80.733
flat angles P-C4'-P energy: -48.375
tors. eta vs tors. theta energy: -96.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -788.556212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.556212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.556212 (E_RNA)
where:
Base-Base interactions energy: -446.512
where: short stacking energy: -231.763
Base-Backbone interact. energy: -0.335
local terms energy: -341.708639
where:
bonds (distance) C4'-P energy: -80.366
bonds (distance) P-C4' energy: -80.900
flat angles C4'-P-C4' energy: -86.609
flat angles P-C4'-P energy: -54.827
tors. eta vs tors. theta energy: -39.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -577.220001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.220001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.220001 (E_RNA)
where:
Base-Base interactions energy: -284.632
where: short stacking energy: -172.817
Base-Backbone interact. energy: 4.280
local terms energy: -296.868017
where:
bonds (distance) C4'-P energy: -77.731
bonds (distance) P-C4' energy: -88.350
flat angles C4'-P-C4' energy: -64.635
flat angles P-C4'-P energy: -49.824
tors. eta vs tors. theta energy: -16.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1874.451191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.451191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.451191 (E_RNA)
where:
Base-Base interactions energy: -1327.777
where: short stacking energy: -539.848
Base-Backbone interact. energy: 0.733
local terms energy: -547.407320
where:
bonds (distance) C4'-P energy: -97.531
bonds (distance) P-C4' energy: -104.781
flat angles C4'-P-C4' energy: -115.900
flat angles P-C4'-P energy: -88.469
tors. eta vs tors. theta energy: -140.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1848.067832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.067832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.067832 (E_RNA)
where:
Base-Base interactions energy: -1299.290
where: short stacking energy: -537.985
Base-Backbone interact. energy: -3.247
local terms energy: -545.530801
where:
bonds (distance) C4'-P energy: -104.923
bonds (distance) P-C4' energy: -88.925
flat angles C4'-P-C4' energy: -123.205
flat angles P-C4'-P energy: -73.289
tors. eta vs tors. theta energy: -155.189
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: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1703.629901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.629901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.629901 (E_RNA)
where:
Base-Base interactions energy: -1163.784
where: short stacking energy: -493.971
Base-Backbone interact. energy: -2.261
local terms energy: -537.584782
where:
bonds (distance) C4'-P energy: -97.782
bonds (distance) P-C4' energy: -102.602
flat angles C4'-P-C4' energy: -123.401
flat angles P-C4'-P energy: -70.308
tors. eta vs tors. theta energy: -143.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1612.133096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.133096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.133096 (E_RNA)
where:
Base-Base interactions energy: -1100.909
where: short stacking energy: -457.863
Base-Backbone interact. energy: -0.764
local terms energy: -510.459199
where:
bonds (distance) C4'-P energy: -97.846
bonds (distance) P-C4' energy: -87.945
flat angles C4'-P-C4' energy: -115.870
flat angles P-C4'-P energy: -79.874
tors. eta vs tors. theta energy: -128.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1546.299265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.299265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.299265 (E_RNA)
where:
Base-Base interactions energy: -1058.588
where: short stacking energy: -444.026
Base-Backbone interact. energy: -3.533
local terms energy: -484.178376
where:
bonds (distance) C4'-P energy: -90.585
bonds (distance) P-C4' energy: -88.066
flat angles C4'-P-C4' energy: -117.800
flat angles P-C4'-P energy: -69.406
tors. eta vs tors. theta energy: -118.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1472.726768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.726768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.726768 (E_RNA)
where:
Base-Base interactions energy: -1002.655
where: short stacking energy: -412.946
Base-Backbone interact. energy: 0.107
local terms energy: -470.179093
where:
bonds (distance) C4'-P energy: -86.444
bonds (distance) P-C4' energy: -106.661
flat angles C4'-P-C4' energy: -98.149
flat angles P-C4'-P energy: -67.727
tors. eta vs tors. theta energy: -111.199
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: 7, replica: 8
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1253.157148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.157148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.157148 (E_RNA)
where:
Base-Base interactions energy: -834.628
where: short stacking energy: -370.153
Base-Backbone interact. energy: -1.572
local terms energy: -416.956890
where:
bonds (distance) C4'-P energy: -73.612
bonds (distance) P-C4' energy: -103.121
flat angles C4'-P-C4' energy: -99.099
flat angles P-C4'-P energy: -64.597
tors. eta vs tors. theta energy: -76.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1221.546128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.546128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.546128 (E_RNA)
where:
Base-Base interactions energy: -826.551
where: short stacking energy: -341.903
Base-Backbone interact. energy: 0.436
local terms energy: -395.430523
where:
bonds (distance) C4'-P energy: -78.312
bonds (distance) P-C4' energy: -96.356
flat angles C4'-P-C4' energy: -79.710
flat angles P-C4'-P energy: -62.363
tors. eta vs tors. theta energy: -78.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -753.311261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.311261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.311261 (E_RNA)
where:
Base-Base interactions energy: -440.167
where: short stacking energy: -210.460
Base-Backbone interact. energy: -1.240
local terms energy: -311.904048
where:
bonds (distance) C4'-P energy: -88.971
bonds (distance) P-C4' energy: -94.172
flat angles C4'-P-C4' energy: -78.126
flat angles P-C4'-P energy: -32.499
tors. eta vs tors. theta energy: -18.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -521.521281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.521281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.521281 (E_RNA)
where:
Base-Base interactions energy: -224.505
where: short stacking energy: -150.143
Base-Backbone interact. energy: 2.501
local terms energy: -299.517381
where:
bonds (distance) C4'-P energy: -96.817
bonds (distance) P-C4' energy: -88.209
flat angles C4'-P-C4' energy: -67.259
flat angles P-C4'-P energy: -38.413
tors. eta vs tors. theta energy: -8.819
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: 286
Temperature: 0.900000
Total energy: -1884.553077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.553077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.553077 (E_RNA)
where:
Base-Base interactions energy: -1340.842
where: short stacking energy: -536.558
Base-Backbone interact. energy: -2.305
local terms energy: -541.405382
where:
bonds (distance) C4'-P energy: -115.423
bonds (distance) P-C4' energy: -97.183
flat angles C4'-P-C4' energy: -113.103
flat angles P-C4'-P energy: -74.917
tors. eta vs tors. theta energy: -140.779
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: 2
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1801.161923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.161923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.161923 (E_RNA)
where:
Base-Base interactions energy: -1252.319
where: short stacking energy: -531.215
Base-Backbone interact. energy: -2.407
local terms energy: -546.435222
where:
bonds (distance) C4'-P energy: -108.181
bonds (distance) P-C4' energy: -95.632
flat angles C4'-P-C4' energy: -119.519
flat angles P-C4'-P energy: -78.479
tors. eta vs tors. theta energy: -144.624
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: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1659.503259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.503259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.503259 (E_RNA)
where:
Base-Base interactions energy: -1157.460
where: short stacking energy: -483.691
Base-Backbone interact. energy: -2.118
local terms energy: -499.925561
where:
bonds (distance) C4'-P energy: -94.681
bonds (distance) P-C4' energy: -101.491
flat angles C4'-P-C4' energy: -110.428
flat angles P-C4'-P energy: -64.063
tors. eta vs tors. theta energy: -129.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1639.685802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.685802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.685802 (E_RNA)
where:
Base-Base interactions energy: -1126.512
where: short stacking energy: -484.633
Base-Backbone interact. energy: -1.590
local terms energy: -511.583536
where:
bonds (distance) C4'-P energy: -78.571
bonds (distance) P-C4' energy: -100.255
flat angles C4'-P-C4' energy: -113.436
flat angles P-C4'-P energy: -82.214
tors. eta vs tors. theta energy: -137.107
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: 5, replica: 4
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1567.808441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.808441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.808441 (E_RNA)
where:
Base-Base interactions energy: -1079.449
where: short stacking energy: -472.344
Base-Backbone interact. energy: -1.165
local terms energy: -487.194764
where:
bonds (distance) C4'-P energy: -90.553
bonds (distance) P-C4' energy: -92.919
flat angles C4'-P-C4' energy: -100.184
flat angles P-C4'-P energy: -72.866
tors. eta vs tors. theta energy: -130.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1505.368525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.368525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.368525 (E_RNA)
where:
Base-Base interactions energy: -1041.827
where: short stacking energy: -428.587
Base-Backbone interact. energy: 0.168
local terms energy: -463.709441
where:
bonds (distance) C4'-P energy: -94.535
bonds (distance) P-C4' energy: -96.266
flat angles C4'-P-C4' energy: -99.578
flat angles P-C4'-P energy: -64.752
tors. eta vs tors. theta energy: -108.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1293.335125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.335125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.335125 (E_RNA)
where:
Base-Base interactions energy: -878.515
where: short stacking energy: -358.613
Base-Backbone interact. energy: -1.234
local terms energy: -413.586211
where:
bonds (distance) C4'-P energy: -92.475
bonds (distance) P-C4' energy: -90.410
flat angles C4'-P-C4' energy: -89.570
flat angles P-C4'-P energy: -56.224
tors. eta vs tors. theta energy: -84.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1193.484276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.484276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.484276 (E_RNA)
where:
Base-Base interactions energy: -806.088
where: short stacking energy: -360.123
Base-Backbone interact. energy: -1.982
local terms energy: -385.414367
where:
bonds (distance) C4'-P energy: -92.703
bonds (distance) P-C4' energy: -82.714
flat angles C4'-P-C4' energy: -89.996
flat angles P-C4'-P energy: -36.517
tors. eta vs tors. theta energy: -83.485
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: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -759.503389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.503389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.503389 (E_RNA)
where:
Base-Base interactions energy: -416.163
where: short stacking energy: -210.904
Base-Backbone interact. energy: 0.570
local terms energy: -343.909884
where:
bonds (distance) C4'-P energy: -95.339
bonds (distance) P-C4' energy: -94.944
flat angles C4'-P-C4' energy: -82.059
flat angles P-C4'-P energy: -51.494
tors. eta vs tors. theta energy: -20.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -544.462510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.462510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.462510 (E_RNA)
where:
Base-Base interactions energy: -242.051
where: short stacking energy: -164.209
Base-Backbone interact. energy: 1.033
local terms energy: -303.445440
where:
bonds (distance) C4'-P energy: -80.104
bonds (distance) P-C4' energy: -90.101
flat angles C4'-P-C4' energy: -71.520
flat angles P-C4'-P energy: -54.424
tors. eta vs tors. theta energy: -7.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1856.954781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.954781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.954781 (E_RNA)
where:
Base-Base interactions energy: -1302.148
where: short stacking energy: -533.027
Base-Backbone interact. energy: -1.933
local terms energy: -552.873195
where:
bonds (distance) C4'-P energy: -104.927
bonds (distance) P-C4' energy: -101.455
flat angles C4'-P-C4' energy: -114.503
flat angles P-C4'-P energy: -87.583
tors. eta vs tors. theta energy: -144.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1840.555582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.555582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.555582 (E_RNA)
where:
Base-Base interactions energy: -1292.188
where: short stacking energy: -528.511
Base-Backbone interact. energy: -2.959
local terms energy: -545.408873
where:
bonds (distance) C4'-P energy: -98.519
bonds (distance) P-C4' energy: -104.751
flat angles C4'-P-C4' energy: -123.258
flat angles P-C4'-P energy: -74.567
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: 3, replica: 5
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1689.218433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.218433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.218433 (E_RNA)
where:
Base-Base interactions energy: -1176.443
where: short stacking energy: -531.363
Base-Backbone interact. energy: -3.395
local terms energy: -509.379973
where:
bonds (distance) C4'-P energy: -90.214
bonds (distance) P-C4' energy: -90.363
flat angles C4'-P-C4' energy: -107.822
flat angles P-C4'-P energy: -79.135
tors. eta vs tors. theta energy: -141.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1615.449995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.449995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.449995 (E_RNA)
where:
Base-Base interactions energy: -1093.773
where: short stacking energy: -463.988
Base-Backbone interact. energy: -1.295
local terms energy: -520.381584
where:
bonds (distance) C4'-P energy: -99.894
bonds (distance) P-C4' energy: -103.521
flat angles C4'-P-C4' energy: -107.988
flat angles P-C4'-P energy: -77.118
tors. eta vs tors. theta energy: -131.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1579.537577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.537577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.537577 (E_RNA)
where:
Base-Base interactions energy: -1097.814
where: short stacking energy: -442.106
Base-Backbone interact. energy: -3.175
local terms energy: -478.548431
where:
bonds (distance) C4'-P energy: -89.755
bonds (distance) P-C4' energy: -94.011
flat angles C4'-P-C4' energy: -93.693
flat angles P-C4'-P energy: -77.702
tors. eta vs tors. theta energy: -123.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1471.551108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.551108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.551108 (E_RNA)
where:
Base-Base interactions energy: -1010.119
where: short stacking energy: -425.254
Base-Backbone interact. energy: 0.596
local terms energy: -462.028248
where:
bonds (distance) C4'-P energy: -87.586
bonds (distance) P-C4' energy: -101.550
flat angles C4'-P-C4' energy: -101.298
flat angles P-C4'-P energy: -65.112
tors. eta vs tors. theta energy: -106.483
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: 8
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1258.075413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.075413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.075413 (E_RNA)
where:
Base-Base interactions energy: -841.143
where: short stacking energy: -361.258
Base-Backbone interact. energy: 0.840
local terms energy: -417.772589
where:
bonds (distance) C4'-P energy: -77.544
bonds (distance) P-C4' energy: -94.166
flat angles C4'-P-C4' energy: -90.730
flat angles P-C4'-P energy: -68.999
tors. eta vs tors. theta energy: -86.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1176.634768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.634768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.634768 (E_RNA)
where:
Base-Base interactions energy: -795.677
where: short stacking energy: -332.014
Base-Backbone interact. energy: 1.816
local terms energy: -382.773482
where:
bonds (distance) C4'-P energy: -69.822
bonds (distance) P-C4' energy: -92.997
flat angles C4'-P-C4' energy: -91.224
flat angles P-C4'-P energy: -57.994
tors. eta vs tors. theta energy: -70.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -782.362460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.362460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.362460 (E_RNA)
where:
Base-Base interactions energy: -452.435
where: short stacking energy: -215.165
Base-Backbone interact. energy: -2.504
local terms energy: -327.422886
where:
bonds (distance) C4'-P energy: -81.900
bonds (distance) P-C4' energy: -91.593
flat angles C4'-P-C4' energy: -93.771
flat angles P-C4'-P energy: -43.696
tors. eta vs tors. theta energy: -16.463
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: 287
Temperature: 1.350000
Total energy: -527.973105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.973105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.973105 (E_RNA)
where:
Base-Base interactions energy: -245.217
where: short stacking energy: -157.952
Base-Backbone interact. energy: -0.568
local terms energy: -282.188186
where:
bonds (distance) C4'-P energy: -77.337
bonds (distance) P-C4' energy: -94.598
flat angles C4'-P-C4' energy: -66.105
flat angles P-C4'-P energy: -45.206
tors. eta vs tors. theta energy: 1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1888.364383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.364383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.364383 (E_RNA)
where:
Base-Base interactions energy: -1340.078
where: short stacking energy: -525.592
Base-Backbone interact. energy: -2.278
local terms energy: -546.008373
where:
bonds (distance) C4'-P energy: -93.200
bonds (distance) P-C4' energy: -109.808
flat angles C4'-P-C4' energy: -122.302
flat angles P-C4'-P energy: -69.478
tors. eta vs tors. theta energy: -151.221
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: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1834.909444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.909444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.909444 (E_RNA)
where:
Base-Base interactions energy: -1282.419
where: short stacking energy: -532.135
Base-Backbone interact. energy: -5.050
local terms energy: -547.440971
where:
bonds (distance) C4'-P energy: -96.598
bonds (distance) P-C4' energy: -104.401
flat angles C4'-P-C4' energy: -120.048
flat angles P-C4'-P energy: -76.121
tors. eta vs tors. theta energy: -150.274
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: 6
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1697.064608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.064608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.064608 (E_RNA)
where:
Base-Base interactions energy: -1170.099
where: short stacking energy: -522.399
Base-Backbone interact. energy: 1.769
local terms energy: -528.734597
where:
bonds (distance) C4'-P energy: -89.459
bonds (distance) P-C4' energy: -92.681
flat angles C4'-P-C4' energy: -116.218
flat angles P-C4'-P energy: -82.780
tors. eta vs tors. theta energy: -147.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1684.494679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.494679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.494679 (E_RNA)
where:
Base-Base interactions energy: -1168.650
where: short stacking energy: -506.474
Base-Backbone interact. energy: -1.480
local terms energy: -514.364681
where:
bonds (distance) C4'-P energy: -99.669
bonds (distance) P-C4' energy: -101.102
flat angles C4'-P-C4' energy: -104.241
flat angles P-C4'-P energy: -80.243
tors. eta vs tors. theta energy: -129.109
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: 288
Temperature: 1.100000
Total energy: -1576.840131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.840131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.840131 (E_RNA)
where:
Base-Base interactions energy: -1087.495
where: short stacking energy: -470.243
Base-Backbone interact. energy: -2.554
local terms energy: -486.790700
where:
bonds (distance) C4'-P energy: -92.063
bonds (distance) P-C4' energy: -92.266
flat angles C4'-P-C4' energy: -103.486
flat angles P-C4'-P energy: -76.882
tors. eta vs tors. theta energy: -122.094
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: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1498.870090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.870090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.870090 (E_RNA)
where:
Base-Base interactions energy: -1032.985
where: short stacking energy: -424.268
Base-Backbone interact. energy: -0.958
local terms energy: -464.927946
where:
bonds (distance) C4'-P energy: -82.365
bonds (distance) P-C4' energy: -90.774
flat angles C4'-P-C4' energy: -102.787
flat angles P-C4'-P energy: -69.315
tors. eta vs tors. theta energy: -119.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1310.726470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.726470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.726470 (E_RNA)
where:
Base-Base interactions energy: -855.903
where: short stacking energy: -374.077
Base-Backbone interact. energy: 4.443
local terms energy: -459.266019
where:
bonds (distance) C4'-P energy: -93.339
bonds (distance) P-C4' energy: -106.622
flat angles C4'-P-C4' energy: -101.778
flat angles P-C4'-P energy: -67.905
tors. eta vs tors. theta energy: -89.623
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: 8, replica: 7
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1208.396888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.396888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.396888 (E_RNA)
where:
Base-Base interactions energy: -824.239
where: short stacking energy: -348.223
Base-Backbone interact. energy: -1.879
local terms energy: -382.278192
where:
bonds (distance) C4'-P energy: -85.651
bonds (distance) P-C4' energy: -86.973
flat angles C4'-P-C4' energy: -96.366
flat angles P-C4'-P energy: -48.836
tors. eta vs tors. theta energy: -64.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -755.168233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.168233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.168233 (E_RNA)
where:
Base-Base interactions energy: -439.231
where: short stacking energy: -217.487
Base-Backbone interact. energy: 0.090
local terms energy: -316.027251
where:
bonds (distance) C4'-P energy: -79.490
bonds (distance) P-C4' energy: -88.626
flat angles C4'-P-C4' energy: -86.604
flat angles P-C4'-P energy: -40.899
tors. eta vs tors. theta energy: -20.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -558.401446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.401446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.401446 (E_RNA)
where:
Base-Base interactions energy: -285.265
where: short stacking energy: -186.754
Base-Backbone interact. energy: -2.693
local terms energy: -270.444390
where:
bonds (distance) C4'-P energy: -81.995
bonds (distance) P-C4' energy: -80.803
flat angles C4'-P-C4' energy: -66.243
flat angles P-C4'-P energy: -36.453
tors. eta vs tors. theta energy: -4.950
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: 1
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1904.916809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.916809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.916809 (E_RNA)
where:
Base-Base interactions energy: -1349.855
where: short stacking energy: -569.336
Base-Backbone interact. energy: -0.244
local terms energy: -554.817718
where:
bonds (distance) C4'-P energy: -94.167
bonds (distance) P-C4' energy: -96.674
flat angles C4'-P-C4' energy: -127.755
flat angles P-C4'-P energy: -74.891
tors. eta vs tors. theta energy: -161.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1822.879812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.879812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.879812 (E_RNA)
where:
Base-Base interactions energy: -1282.965
where: short stacking energy: -518.957
Base-Backbone interact. energy: 1.020
local terms energy: -540.935085
where:
bonds (distance) C4'-P energy: -95.177
bonds (distance) P-C4' energy: -104.892
flat angles C4'-P-C4' energy: -123.173
flat angles P-C4'-P energy: -69.282
tors. eta vs tors. theta energy: -148.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1683.300162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.300162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.300162 (E_RNA)
where:
Base-Base interactions energy: -1173.523
where: short stacking energy: -518.438
Base-Backbone interact. energy: 1.135
local terms energy: -510.912589
where:
bonds (distance) C4'-P energy: -83.717
bonds (distance) P-C4' energy: -105.326
flat angles C4'-P-C4' energy: -110.706
flat angles P-C4'-P energy: -82.599
tors. eta vs tors. theta energy: -128.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1620.551133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.551133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.551133 (E_RNA)
where:
Base-Base interactions energy: -1112.441
where: short stacking energy: -472.597
Base-Backbone interact. energy: -1.726
local terms energy: -506.384425
where:
bonds (distance) C4'-P energy: -84.775
bonds (distance) P-C4' energy: -106.329
flat angles C4'-P-C4' energy: -121.006
flat angles P-C4'-P energy: -69.775
tors. eta vs tors. theta energy: -124.499
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: 4
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1553.494803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.494803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.494803 (E_RNA)
where:
Base-Base interactions energy: -1082.830
where: short stacking energy: -454.793
Base-Backbone interact. energy: -1.216
local terms energy: -469.448771
where:
bonds (distance) C4'-P energy: -101.689
bonds (distance) P-C4' energy: -81.613
flat angles C4'-P-C4' energy: -100.096
flat angles P-C4'-P energy: -71.102
tors. eta vs tors. theta energy: -114.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1541.215933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.215933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.215933 (E_RNA)
where:
Base-Base interactions energy: -1078.498
where: short stacking energy: -455.254
Base-Backbone interact. energy: -3.779
local terms energy: -458.938803
where:
bonds (distance) C4'-P energy: -75.694
bonds (distance) P-C4' energy: -94.181
flat angles C4'-P-C4' energy: -108.372
flat angles P-C4'-P energy: -61.084
tors. eta vs tors. theta energy: -119.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1315.946187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.946187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.946187 (E_RNA)
where:
Base-Base interactions energy: -885.656
where: short stacking energy: -359.141
Base-Backbone interact. energy: 2.959
local terms energy: -433.249606
where:
bonds (distance) C4'-P energy: -79.367
bonds (distance) P-C4' energy: -93.300
flat angles C4'-P-C4' energy: -106.180
flat angles P-C4'-P energy: -65.796
tors. eta vs tors. theta energy: -88.607
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: 8, replica: 7
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1212.307446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.307446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.307446 (E_RNA)
where:
Base-Base interactions energy: -818.727
where: short stacking energy: -346.076
Base-Backbone interact. energy: -1.136
local terms energy: -392.444396
where:
bonds (distance) C4'-P energy: -82.513
bonds (distance) P-C4' energy: -92.670
flat angles C4'-P-C4' energy: -89.551
flat angles P-C4'-P energy: -50.165
tors. eta vs tors. theta energy: -77.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -719.392030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.392030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.392030 (E_RNA)
where:
Base-Base interactions energy: -407.305
where: short stacking energy: -201.075
Base-Backbone interact. energy: 2.418
local terms energy: -314.504853
where:
bonds (distance) C4'-P energy: -89.985
bonds (distance) P-C4' energy: -76.701
flat angles C4'-P-C4' energy: -73.487
flat angles P-C4'-P energy: -57.979
tors. eta vs tors. theta energy: -16.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -534.273770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.273770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.273770 (E_RNA)
where:
Base-Base interactions energy: -248.391
where: short stacking energy: -139.917
Base-Backbone interact. energy: 3.011
local terms energy: -288.893631
where:
bonds (distance) C4'-P energy: -79.024
bonds (distance) P-C4' energy: -88.431
flat angles C4'-P-C4' energy: -78.028
flat angles P-C4'-P energy: -53.315
tors. eta vs tors. theta energy: 9.905
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: 1, replica: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1864.061265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.061265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.061265 (E_RNA)
where:
Base-Base interactions energy: -1289.409
where: short stacking energy: -533.675
Base-Backbone interact. energy: -2.650
local terms energy: -572.002554
where:
bonds (distance) C4'-P energy: -109.636
bonds (distance) P-C4' energy: -109.410
flat angles C4'-P-C4' energy: -114.182
flat angles P-C4'-P energy: -83.762
tors. eta vs tors. theta energy: -155.012
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: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1840.504817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.504817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.504817 (E_RNA)
where:
Base-Base interactions energy: -1281.151
where: short stacking energy: -526.922
Base-Backbone interact. energy: -3.171
local terms energy: -556.183343
where:
bonds (distance) C4'-P energy: -106.635
bonds (distance) P-C4' energy: -111.885
flat angles C4'-P-C4' energy: -115.031
flat angles P-C4'-P energy: -77.420
tors. eta vs tors. theta energy: -145.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1687.110207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.110207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.110207 (E_RNA)
where:
Base-Base interactions energy: -1162.664
where: short stacking energy: -522.247
Base-Backbone interact. energy: -2.417
local terms energy: -522.028992
where:
bonds (distance) C4'-P energy: -95.785
bonds (distance) P-C4' energy: -102.952
flat angles C4'-P-C4' energy: -111.814
flat angles P-C4'-P energy: -67.576
tors. eta vs tors. theta energy: -143.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1631.658878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.658878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.658878 (E_RNA)
where:
Base-Base interactions energy: -1114.202
where: short stacking energy: -498.546
Base-Backbone interact. energy: -3.240
local terms energy: -514.217084
where:
bonds (distance) C4'-P energy: -93.253
bonds (distance) P-C4' energy: -98.631
flat angles C4'-P-C4' energy: -112.777
flat angles P-C4'-P energy: -81.380
tors. eta vs tors. theta energy: -128.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1585.191357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.191357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.191357 (E_RNA)
where:
Base-Base interactions energy: -1107.208
where: short stacking energy: -451.283
Base-Backbone interact. energy: -4.646
local terms energy: -473.337651
where:
bonds (distance) C4'-P energy: -91.826
bonds (distance) P-C4' energy: -85.482
flat angles C4'-P-C4' energy: -104.204
flat angles P-C4'-P energy: -70.456
tors. eta vs tors. theta energy: -121.369
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: 4
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1510.833251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.833251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.833251 (E_RNA)
where:
Base-Base interactions energy: -1040.751
where: short stacking energy: -446.205
Base-Backbone interact. energy: -0.907
local terms energy: -469.174516
where:
bonds (distance) C4'-P energy: -92.313
bonds (distance) P-C4' energy: -98.379
flat angles C4'-P-C4' energy: -95.413
flat angles P-C4'-P energy: -70.889
tors. eta vs tors. theta energy: -112.182
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: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1318.677878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.677878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.677878 (E_RNA)
where:
Base-Base interactions energy: -887.327
where: short stacking energy: -391.962
Base-Backbone interact. energy: 1.343
local terms energy: -432.694274
where:
bonds (distance) C4'-P energy: -88.785
bonds (distance) P-C4' energy: -71.458
flat angles C4'-P-C4' energy: -101.535
flat angles P-C4'-P energy: -64.813
tors. eta vs tors. theta energy: -106.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1165.962588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.962588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.962588 (E_RNA)
where:
Base-Base interactions energy: -756.393
where: short stacking energy: -331.120
Base-Backbone interact. energy: -4.567
local terms energy: -405.002907
where:
bonds (distance) C4'-P energy: -85.045
bonds (distance) P-C4' energy: -91.398
flat angles C4'-P-C4' energy: -99.204
flat angles P-C4'-P energy: -67.030
tors. eta vs tors. theta energy: -62.327
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: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -759.670585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.670585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.670585 (E_RNA)
where:
Base-Base interactions energy: -430.286
where: short stacking energy: -217.574
Base-Backbone interact. energy: 3.143
local terms energy: -332.527966
where:
bonds (distance) C4'-P energy: -93.809
bonds (distance) P-C4' energy: -96.346
flat angles C4'-P-C4' energy: -72.063
flat angles P-C4'-P energy: -38.982
tors. eta vs tors. theta energy: -31.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -531.344336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.344336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.344336 (E_RNA)
where:
Base-Base interactions energy: -270.047
where: short stacking energy: -155.084
Base-Backbone interact. energy: -0.556
local terms energy: -260.740784
where:
bonds (distance) C4'-P energy: -80.669
bonds (distance) P-C4' energy: -72.729
flat angles C4'-P-C4' energy: -68.936
flat angles P-C4'-P energy: -40.588
tors. eta vs tors. theta energy: 2.180
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: 291
Temperature: 0.900000
Total energy: -1878.304539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.304539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.304539 (E_RNA)
where:
Base-Base interactions energy: -1323.957
where: short stacking energy: -543.592
Base-Backbone interact. energy: -3.588
local terms energy: -550.760195
where:
bonds (distance) C4'-P energy: -109.207
bonds (distance) P-C4' energy: -103.959
flat angles C4'-P-C4' energy: -113.079
flat angles P-C4'-P energy: -78.891
tors. eta vs tors. theta energy: -145.625
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: 291
Temperature: 0.950000
Total energy: -1839.398126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.398126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.398126 (E_RNA)
where:
Base-Base interactions energy: -1285.178
where: short stacking energy: -531.991
Base-Backbone interact. energy: -0.791
local terms energy: -553.429152
where:
bonds (distance) C4'-P energy: -92.775
bonds (distance) P-C4' energy: -110.439
flat angles C4'-P-C4' energy: -123.457
flat angles P-C4'-P energy: -78.124
tors. eta vs tors. theta energy: -148.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1650.262445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.262445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.262445 (E_RNA)
where:
Base-Base interactions energy: -1147.192
where: short stacking energy: -477.270
Base-Backbone interact. energy: -2.710
local terms energy: -500.360970
where:
bonds (distance) C4'-P energy: -97.764
bonds (distance) P-C4' energy: -99.160
flat angles C4'-P-C4' energy: -104.530
flat angles P-C4'-P energy: -66.237
tors. eta vs tors. theta energy: -132.670
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: 5
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1614.720866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.720866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.720866 (E_RNA)
where:
Base-Base interactions energy: -1116.060
where: short stacking energy: -481.672
Base-Backbone interact. energy: -0.538
local terms energy: -498.123202
where:
bonds (distance) C4'-P energy: -103.151
bonds (distance) P-C4' energy: -94.851
flat angles C4'-P-C4' energy: -104.912
flat angles P-C4'-P energy: -72.150
tors. eta vs tors. theta energy: -123.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1587.139788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.139788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.139788 (E_RNA)
where:
Base-Base interactions energy: -1106.762
where: short stacking energy: -452.790
Base-Backbone interact. energy: -0.021
local terms energy: -480.356578
where:
bonds (distance) C4'-P energy: -87.865
bonds (distance) P-C4' energy: -90.475
flat angles C4'-P-C4' energy: -114.861
flat angles P-C4'-P energy: -68.654
tors. eta vs tors. theta energy: -118.501
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: 4
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1445.291836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.291836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.291836 (E_RNA)
where:
Base-Base interactions energy: -984.527
where: short stacking energy: -426.547
Base-Backbone interact. energy: -2.834
local terms energy: -457.931065
where:
bonds (distance) C4'-P energy: -84.731
bonds (distance) P-C4' energy: -108.337
flat angles C4'-P-C4' energy: -98.663
flat angles P-C4'-P energy: -58.519
tors. eta vs tors. theta energy: -107.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1309.391369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.391369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.391369 (E_RNA)
where:
Base-Base interactions energy: -869.118
where: short stacking energy: -376.112
Base-Backbone interact. energy: -1.125
local terms energy: -439.148473
where:
bonds (distance) C4'-P energy: -104.068
bonds (distance) P-C4' energy: -80.227
flat angles C4'-P-C4' energy: -105.225
flat angles P-C4'-P energy: -57.294
tors. eta vs tors. theta energy: -92.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1148.688360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.688360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.688360 (E_RNA)
where:
Base-Base interactions energy: -763.488
where: short stacking energy: -327.388
Base-Backbone interact. energy: -1.101
local terms energy: -384.099884
where:
bonds (distance) C4'-P energy: -83.090
bonds (distance) P-C4' energy: -92.776
flat angles C4'-P-C4' energy: -83.720
flat angles P-C4'-P energy: -60.296
tors. eta vs tors. theta energy: -64.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -738.194879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.194879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.194879 (E_RNA)
where:
Base-Base interactions energy: -390.793
where: short stacking energy: -215.609
Base-Backbone interact. energy: -1.182
local terms energy: -346.219835
where:
bonds (distance) C4'-P energy: -89.503
bonds (distance) P-C4' energy: -90.008
flat angles C4'-P-C4' energy: -86.491
flat angles P-C4'-P energy: -52.260
tors. eta vs tors. theta energy: -27.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -554.351982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.351982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.351982 (E_RNA)
where:
Base-Base interactions energy: -245.143
where: short stacking energy: -138.463
Base-Backbone interact. energy: -1.469
local terms energy: -307.740153
where:
bonds (distance) C4'-P energy: -98.885
bonds (distance) P-C4' energy: -86.645
flat angles C4'-P-C4' energy: -73.893
flat angles P-C4'-P energy: -55.414
tors. eta vs tors. theta energy: 7.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1887.031308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.031308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.031308 (E_RNA)
where:
Base-Base interactions energy: -1354.499
where: short stacking energy: -551.027
Base-Backbone interact. energy: -1.958
local terms energy: -530.574157
where:
bonds (distance) C4'-P energy: -90.528
bonds (distance) P-C4' energy: -104.174
flat angles C4'-P-C4' energy: -115.836
flat angles P-C4'-P energy: -72.880
tors. eta vs tors. theta energy: -147.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1828.195163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.195163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.195163 (E_RNA)
where:
Base-Base interactions energy: -1291.919
where: short stacking energy: -549.279
Base-Backbone interact. energy: 0.931
local terms energy: -537.207817
where:
bonds (distance) C4'-P energy: -93.216
bonds (distance) P-C4' energy: -97.579
flat angles C4'-P-C4' energy: -123.993
flat angles P-C4'-P energy: -66.352
tors. eta vs tors. theta energy: -156.067
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: 6
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1658.359491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.359491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.359491 (E_RNA)
where:
Base-Base interactions energy: -1133.771
where: short stacking energy: -476.542
Base-Backbone interact. energy: 2.848
local terms energy: -527.436656
where:
bonds (distance) C4'-P energy: -93.536
bonds (distance) P-C4' energy: -103.792
flat angles C4'-P-C4' energy: -117.481
flat angles P-C4'-P energy: -70.643
tors. eta vs tors. theta energy: -141.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1631.439683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.439683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.439683 (E_RNA)
where:
Base-Base interactions energy: -1125.478
where: short stacking energy: -492.191
Base-Backbone interact. energy: -1.761
local terms energy: -504.200996
where:
bonds (distance) C4'-P energy: -89.598
bonds (distance) P-C4' energy: -105.838
flat angles C4'-P-C4' energy: -112.529
flat angles P-C4'-P energy: -66.834
tors. eta vs tors. theta energy: -129.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1524.754757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.754757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.754757 (E_RNA)
where:
Base-Base interactions energy: -1036.413
where: short stacking energy: -451.682
Base-Backbone interact. energy: -0.166
local terms energy: -488.175686
where:
bonds (distance) C4'-P energy: -87.673
bonds (distance) P-C4' energy: -96.946
flat angles C4'-P-C4' energy: -118.470
flat angles P-C4'-P energy: -69.500
tors. eta vs tors. theta energy: -115.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1490.358579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.358579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.358579 (E_RNA)
where:
Base-Base interactions energy: -1035.155
where: short stacking energy: -445.652
Base-Backbone interact. energy: -0.926
local terms energy: -454.277046
where:
bonds (distance) C4'-P energy: -85.328
bonds (distance) P-C4' energy: -98.427
flat angles C4'-P-C4' energy: -101.199
flat angles P-C4'-P energy: -56.382
tors. eta vs tors. theta energy: -112.941
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: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1277.176659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.176659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.176659 (E_RNA)
where:
Base-Base interactions energy: -872.813
where: short stacking energy: -367.546
Base-Backbone interact. energy: -1.507
local terms energy: -402.857609
where:
bonds (distance) C4'-P energy: -80.478
bonds (distance) P-C4' energy: -83.071
flat angles C4'-P-C4' energy: -100.367
flat angles P-C4'-P energy: -51.935
tors. eta vs tors. theta energy: -87.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1192.511777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.511777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.511777 (E_RNA)
where:
Base-Base interactions energy: -801.984
where: short stacking energy: -332.821
Base-Backbone interact. energy: -2.486
local terms energy: -388.041495
where:
bonds (distance) C4'-P energy: -71.304
bonds (distance) P-C4' energy: -80.365
flat angles C4'-P-C4' energy: -101.908
flat angles P-C4'-P energy: -59.460
tors. eta vs tors. theta energy: -75.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -743.528904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.528904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.528904 (E_RNA)
where:
Base-Base interactions energy: -447.969
where: short stacking energy: -235.059
Base-Backbone interact. energy: -0.871
local terms energy: -294.689166
where:
bonds (distance) C4'-P energy: -78.958
bonds (distance) P-C4' energy: -73.025
flat angles C4'-P-C4' energy: -83.117
flat angles P-C4'-P energy: -43.748
tors. eta vs tors. theta energy: -15.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -541.346604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.346604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.346604 (E_RNA)
where:
Base-Base interactions energy: -250.514
where: short stacking energy: -151.187
Base-Backbone interact. energy: 0.666
local terms energy: -291.498661
where:
bonds (distance) C4'-P energy: -91.374
bonds (distance) P-C4' energy: -75.161
flat angles C4'-P-C4' energy: -78.470
flat angles P-C4'-P energy: -47.417
tors. eta vs tors. theta energy: 0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1860.654062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.654062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.654062 (E_RNA)
where:
Base-Base interactions energy: -1304.540
where: short stacking energy: -519.306
Base-Backbone interact. energy: -3.782
local terms energy: -552.332617
where:
bonds (distance) C4'-P energy: -105.053
bonds (distance) P-C4' energy: -101.149
flat angles C4'-P-C4' energy: -117.189
flat angles P-C4'-P energy: -70.690
tors. eta vs tors. theta energy: -158.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1812.588835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.588835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.588835 (E_RNA)
where:
Base-Base interactions energy: -1274.448
where: short stacking energy: -508.775
Base-Backbone interact. energy: -3.873
local terms energy: -534.268752
where:
bonds (distance) C4'-P energy: -106.355
bonds (distance) P-C4' energy: -103.040
flat angles C4'-P-C4' energy: -117.211
flat angles P-C4'-P energy: -71.031
tors. eta vs tors. theta energy: -136.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1646.378416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.378416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.378416 (E_RNA)
where:
Base-Base interactions energy: -1127.095
where: short stacking energy: -501.217
Base-Backbone interact. energy: -2.320
local terms energy: -516.963340
where:
bonds (distance) C4'-P energy: -87.187
bonds (distance) P-C4' energy: -95.529
flat angles C4'-P-C4' energy: -120.623
flat angles P-C4'-P energy: -79.838
tors. eta vs tors. theta energy: -133.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1643.735582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.735582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.735582 (E_RNA)
where:
Base-Base interactions energy: -1138.000
where: short stacking energy: -501.917
Base-Backbone interact. energy: -0.671
local terms energy: -505.064713
where:
bonds (distance) C4'-P energy: -94.352
bonds (distance) P-C4' energy: -99.277
flat angles C4'-P-C4' energy: -106.891
flat angles P-C4'-P energy: -72.654
tors. eta vs tors. theta energy: -131.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1566.604887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.604887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.604887 (E_RNA)
where:
Base-Base interactions energy: -1089.950
where: short stacking energy: -472.759
Base-Backbone interact. energy: -1.852
local terms energy: -474.802450
where:
bonds (distance) C4'-P energy: -89.765
bonds (distance) P-C4' energy: -88.643
flat angles C4'-P-C4' energy: -106.141
flat angles P-C4'-P energy: -66.710
tors. eta vs tors. theta energy: -123.544
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: 4
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1467.232848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.232848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.232848 (E_RNA)
where:
Base-Base interactions energy: -1007.360
where: short stacking energy: -414.446
Base-Backbone interact. energy: 0.424
local terms energy: -460.297066
where:
bonds (distance) C4'-P energy: -83.588
bonds (distance) P-C4' energy: -102.657
flat angles C4'-P-C4' energy: -104.354
flat angles P-C4'-P energy: -69.158
tors. eta vs tors. theta energy: -100.539
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: 8
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1332.662982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.662982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.662982 (E_RNA)
where:
Base-Base interactions energy: -899.834
where: short stacking energy: -390.668
Base-Backbone interact. energy: -3.671
local terms energy: -429.157757
where:
bonds (distance) C4'-P energy: -78.046
bonds (distance) P-C4' energy: -86.150
flat angles C4'-P-C4' energy: -93.417
flat angles P-C4'-P energy: -74.949
tors. eta vs tors. theta energy: -96.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1100.761913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.761913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.761913 (E_RNA)
where:
Base-Base interactions energy: -740.867
where: short stacking energy: -313.891
Base-Backbone interact. energy: 3.369
local terms energy: -363.263787
where:
bonds (distance) C4'-P energy: -85.381
bonds (distance) P-C4' energy: -92.618
flat angles C4'-P-C4' energy: -79.269
flat angles P-C4'-P energy: -59.667
tors. eta vs tors. theta energy: -46.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -755.412829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.412829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.412829 (E_RNA)
where:
Base-Base interactions energy: -430.362
where: short stacking energy: -227.716
Base-Backbone interact. energy: 3.879
local terms energy: -328.930026
where:
bonds (distance) C4'-P energy: -74.788
bonds (distance) P-C4' energy: -80.841
flat angles C4'-P-C4' energy: -67.202
flat angles P-C4'-P energy: -75.042
tors. eta vs tors. theta energy: -31.057
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: 293
Temperature: 1.350000
Total energy: -562.219950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.219950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.219950 (E_RNA)
where:
Base-Base interactions energy: -258.213
where: short stacking energy: -159.741
Base-Backbone interact. energy: 0.336
local terms energy: -304.342492
where:
bonds (distance) C4'-P energy: -103.601
bonds (distance) P-C4' energy: -94.015
flat angles C4'-P-C4' energy: -58.524
flat angles P-C4'-P energy: -42.973
tors. eta vs tors. theta energy: -5.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1876.599790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.599790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.599790 (E_RNA)
where:
Base-Base interactions energy: -1329.368
where: short stacking energy: -547.128
Base-Backbone interact. energy: -0.962
local terms energy: -546.270328
where:
bonds (distance) C4'-P energy: -103.794
bonds (distance) P-C4' energy: -104.368
flat angles C4'-P-C4' energy: -116.822
flat angles P-C4'-P energy: -70.789
tors. eta vs tors. theta energy: -150.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1827.481088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.481088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.481088 (E_RNA)
where:
Base-Base interactions energy: -1271.923
where: short stacking energy: -532.765
Base-Backbone interact. energy: -0.081
local terms energy: -555.477300
where:
bonds (distance) C4'-P energy: -96.975
bonds (distance) P-C4' energy: -105.269
flat angles C4'-P-C4' energy: -129.104
flat angles P-C4'-P energy: -75.378
tors. eta vs tors. theta energy: -148.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1668.952833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.952833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.952833 (E_RNA)
where:
Base-Base interactions energy: -1135.487
where: short stacking energy: -482.742
Base-Backbone interact. energy: 0.442
local terms energy: -533.907588
where:
bonds (distance) C4'-P energy: -90.650
bonds (distance) P-C4' energy: -105.330
flat angles C4'-P-C4' energy: -115.857
flat angles P-C4'-P energy: -80.827
tors. eta vs tors. theta energy: -141.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1622.533678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.533678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.533678 (E_RNA)
where:
Base-Base interactions energy: -1140.522
where: short stacking energy: -485.507
Base-Backbone interact. energy: -1.019
local terms energy: -480.992264
where:
bonds (distance) C4'-P energy: -80.395
bonds (distance) P-C4' energy: -88.727
flat angles C4'-P-C4' energy: -107.521
flat angles P-C4'-P energy: -71.669
tors. eta vs tors. theta energy: -132.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1589.308940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.308940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.308940 (E_RNA)
where:
Base-Base interactions energy: -1096.838
where: short stacking energy: -477.411
Base-Backbone interact. energy: -0.684
local terms energy: -491.786858
where:
bonds (distance) C4'-P energy: -93.749
bonds (distance) P-C4' energy: -92.095
flat angles C4'-P-C4' energy: -113.704
flat angles P-C4'-P energy: -74.492
tors. eta vs tors. theta energy: -117.747
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: 4
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1448.850559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.850559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.850559 (E_RNA)
where:
Base-Base interactions energy: -1013.099
where: short stacking energy: -421.658
Base-Backbone interact. energy: -1.161
local terms energy: -434.590882
where:
bonds (distance) C4'-P energy: -92.725
bonds (distance) P-C4' energy: -76.463
flat angles C4'-P-C4' energy: -103.310
flat angles P-C4'-P energy: -64.485
tors. eta vs tors. theta energy: -97.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1304.821298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.821298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.821298 (E_RNA)
where:
Base-Base interactions energy: -884.127
where: short stacking energy: -381.538
Base-Backbone interact. energy: -1.115
local terms energy: -419.579668
where:
bonds (distance) C4'-P energy: -82.366
bonds (distance) P-C4' energy: -94.628
flat angles C4'-P-C4' energy: -96.892
flat angles P-C4'-P energy: -61.664
tors. eta vs tors. theta energy: -84.029
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: 7
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1108.703738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.703738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.703738 (E_RNA)
where:
Base-Base interactions energy: -725.312
where: short stacking energy: -297.994
Base-Backbone interact. energy: 3.992
local terms energy: -387.383763
where:
bonds (distance) C4'-P energy: -90.083
bonds (distance) P-C4' energy: -100.126
flat angles C4'-P-C4' energy: -95.661
flat angles P-C4'-P energy: -46.875
tors. eta vs tors. theta energy: -54.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -763.202404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.202404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.202404 (E_RNA)
where:
Base-Base interactions energy: -443.477
where: short stacking energy: -231.731
Base-Backbone interact. energy: 1.062
local terms energy: -320.787221
where:
bonds (distance) C4'-P energy: -81.356
bonds (distance) P-C4' energy: -83.958
flat angles C4'-P-C4' energy: -82.667
flat angles P-C4'-P energy: -42.825
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: 10, replica: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -549.748832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.748832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.748832 (E_RNA)
where:
Base-Base interactions energy: -247.617
where: short stacking energy: -162.870
Base-Backbone interact. energy: -0.570
local terms energy: -301.561962
where:
bonds (distance) C4'-P energy: -92.687
bonds (distance) P-C4' energy: -88.928
flat angles C4'-P-C4' energy: -75.134
flat angles P-C4'-P energy: -51.477
tors. eta vs tors. theta energy: 6.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1856.200985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.200985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.200985 (E_RNA)
where:
Base-Base interactions energy: -1297.321
where: short stacking energy: -510.229
Base-Backbone interact. energy: -1.144
local terms energy: -557.735387
where:
bonds (distance) C4'-P energy: -97.560
bonds (distance) P-C4' energy: -114.400
flat angles C4'-P-C4' energy: -113.032
flat angles P-C4'-P energy: -78.640
tors. eta vs tors. theta energy: -154.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1773.801903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.801903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.801903 (E_RNA)
where:
Base-Base interactions energy: -1248.291
where: short stacking energy: -492.123
Base-Backbone interact. energy: 0.378
local terms energy: -525.888738
where:
bonds (distance) C4'-P energy: -101.904
bonds (distance) P-C4' energy: -101.096
flat angles C4'-P-C4' energy: -117.733
flat angles P-C4'-P energy: -73.429
tors. eta vs tors. theta energy: -131.727
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: 6
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1656.799643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.799643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.799643 (E_RNA)
where:
Base-Base interactions energy: -1136.852
where: short stacking energy: -477.866
Base-Backbone interact. energy: -3.229
local terms energy: -516.718518
where:
bonds (distance) C4'-P energy: -102.134
bonds (distance) P-C4' energy: -89.038
flat angles C4'-P-C4' energy: -122.084
flat angles P-C4'-P energy: -72.098
tors. eta vs tors. theta energy: -131.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1606.548658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.548658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.548658 (E_RNA)
where:
Base-Base interactions energy: -1095.136
where: short stacking energy: -477.485
Base-Backbone interact. energy: 0.628
local terms energy: -512.041191
where:
bonds (distance) C4'-P energy: -93.320
bonds (distance) P-C4' energy: -105.552
flat angles C4'-P-C4' energy: -119.475
flat angles P-C4'-P energy: -59.541
tors. eta vs tors. theta energy: -134.152
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: 295
Temperature: 1.100000
Total energy: -1560.682317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.682317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.682317 (E_RNA)
where:
Base-Base interactions energy: -1085.754
where: short stacking energy: -442.879
Base-Backbone interact. energy: -3.674
local terms energy: -471.254377
where:
bonds (distance) C4'-P energy: -72.769
bonds (distance) P-C4' energy: -101.078
flat angles C4'-P-C4' energy: -105.061
flat angles P-C4'-P energy: -73.292
tors. eta vs tors. theta energy: -119.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1488.562300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.562300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.562300 (E_RNA)
where:
Base-Base interactions energy: -1026.947
where: short stacking energy: -424.022
Base-Backbone interact. energy: 1.195
local terms energy: -462.809876
where:
bonds (distance) C4'-P energy: -96.265
bonds (distance) P-C4' energy: -81.997
flat angles C4'-P-C4' energy: -99.295
flat angles P-C4'-P energy: -74.398
tors. eta vs tors. theta energy: -110.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1331.664512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.664512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.664512 (E_RNA)
where:
Base-Base interactions energy: -900.670
where: short stacking energy: -391.132
Base-Backbone interact. energy: 0.682
local terms energy: -431.676835
where:
bonds (distance) C4'-P energy: -94.503
bonds (distance) P-C4' energy: -86.986
flat angles C4'-P-C4' energy: -86.569
flat angles P-C4'-P energy: -72.419
tors. eta vs tors. theta energy: -91.200
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: 7
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1143.093857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.093857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.093857 (E_RNA)
where:
Base-Base interactions energy: -731.420
where: short stacking energy: -332.034
Base-Backbone interact. energy: 0.881
local terms energy: -412.554492
where:
bonds (distance) C4'-P energy: -98.785
bonds (distance) P-C4' energy: -81.383
flat angles C4'-P-C4' energy: -101.555
flat angles P-C4'-P energy: -61.480
tors. eta vs tors. theta energy: -69.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -732.971011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.971011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.971011 (E_RNA)
where:
Base-Base interactions energy: -417.965
where: short stacking energy: -206.313
Base-Backbone interact. energy: -1.414
local terms energy: -313.591780
where:
bonds (distance) C4'-P energy: -83.095
bonds (distance) P-C4' energy: -87.065
flat angles C4'-P-C4' energy: -78.235
flat angles P-C4'-P energy: -54.987
tors. eta vs tors. theta energy: -10.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -512.142806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.142806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.142806 (E_RNA)
where:
Base-Base interactions energy: -239.595
where: short stacking energy: -144.991
Base-Backbone interact. energy: -4.216
local terms energy: -268.331970
where:
bonds (distance) C4'-P energy: -85.003
bonds (distance) P-C4' energy: -75.376
flat angles C4'-P-C4' energy: -71.503
flat angles P-C4'-P energy: -48.417
tors. eta vs tors. theta energy: 11.968
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: 1
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1877.855026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.855026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.855026 (E_RNA)
where:
Base-Base interactions energy: -1325.237
where: short stacking energy: -551.722
Base-Backbone interact. energy: -2.769
local terms energy: -549.848446
where:
bonds (distance) C4'-P energy: -99.746
bonds (distance) P-C4' energy: -101.991
flat angles C4'-P-C4' energy: -119.506
flat angles P-C4'-P energy: -79.070
tors. eta vs tors. theta energy: -149.535
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: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1797.275236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.275236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.275236 (E_RNA)
where:
Base-Base interactions energy: -1277.750
where: short stacking energy: -496.437
Base-Backbone interact. energy: -4.132
local terms energy: -515.393875
where:
bonds (distance) C4'-P energy: -103.534
bonds (distance) P-C4' energy: -95.583
flat angles C4'-P-C4' energy: -110.370
flat angles P-C4'-P energy: -73.178
tors. eta vs tors. theta energy: -132.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1658.850014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.850014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.850014 (E_RNA)
where:
Base-Base interactions energy: -1149.771
where: short stacking energy: -494.333
Base-Backbone interact. energy: -1.776
local terms energy: -507.302185
where:
bonds (distance) C4'-P energy: -95.046
bonds (distance) P-C4' energy: -99.791
flat angles C4'-P-C4' energy: -103.851
flat angles P-C4'-P energy: -76.103
tors. eta vs tors. theta energy: -132.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1623.684400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.684400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.684400 (E_RNA)
where:
Base-Base interactions energy: -1136.002
where: short stacking energy: -496.825
Base-Backbone interact. energy: -1.840
local terms energy: -485.842493
where:
bonds (distance) C4'-P energy: -77.341
bonds (distance) P-C4' energy: -89.799
flat angles C4'-P-C4' energy: -108.411
flat angles P-C4'-P energy: -74.879
tors. eta vs tors. theta energy: -135.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1578.161516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.161516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.161516 (E_RNA)
where:
Base-Base interactions energy: -1110.464
where: short stacking energy: -449.659
Base-Backbone interact. energy: -2.373
local terms energy: -465.323761
where:
bonds (distance) C4'-P energy: -79.231
bonds (distance) P-C4' energy: -89.970
flat angles C4'-P-C4' energy: -112.604
flat angles P-C4'-P energy: -67.248
tors. eta vs tors. theta energy: -116.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1496.175750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.175750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.175750 (E_RNA)
where:
Base-Base interactions energy: -1045.681
where: short stacking energy: -436.988
Base-Backbone interact. energy: -1.635
local terms energy: -448.860494
where:
bonds (distance) C4'-P energy: -90.324
bonds (distance) P-C4' energy: -83.844
flat angles C4'-P-C4' energy: -94.236
flat angles P-C4'-P energy: -80.117
tors. eta vs tors. theta energy: -100.340
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: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1346.526473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.526473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.526473 (E_RNA)
where:
Base-Base interactions energy: -907.913
where: short stacking energy: -391.179
Base-Backbone interact. energy: -2.186
local terms energy: -436.427105
where:
bonds (distance) C4'-P energy: -79.302
bonds (distance) P-C4' energy: -98.233
flat angles C4'-P-C4' energy: -101.776
flat angles P-C4'-P energy: -59.621
tors. eta vs tors. theta energy: -97.495
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: 8, replica: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1148.155313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.155313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.155313 (E_RNA)
where:
Base-Base interactions energy: -763.160
where: short stacking energy: -344.301
Base-Backbone interact. energy: -4.022
local terms energy: -380.973388
where:
bonds (distance) C4'-P energy: -84.716
bonds (distance) P-C4' energy: -74.768
flat angles C4'-P-C4' energy: -80.276
flat angles P-C4'-P energy: -69.609
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: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -782.771506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.771506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.771506 (E_RNA)
where:
Base-Base interactions energy: -444.421
where: short stacking energy: -238.124
Base-Backbone interact. energy: 0.953
local terms energy: -339.303872
where:
bonds (distance) C4'-P energy: -99.245
bonds (distance) P-C4' energy: -84.247
flat angles C4'-P-C4' energy: -85.410
flat angles P-C4'-P energy: -37.405
tors. eta vs tors. theta energy: -32.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -541.531811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.531811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.531811 (E_RNA)
where:
Base-Base interactions energy: -257.217
where: short stacking energy: -156.084
Base-Backbone interact. energy: 4.979
local terms energy: -289.293928
where:
bonds (distance) C4'-P energy: -72.508
bonds (distance) P-C4' energy: -83.000
flat angles C4'-P-C4' energy: -86.140
flat angles P-C4'-P energy: -37.547
tors. eta vs tors. theta energy: -10.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1876.756616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.756616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.756616 (E_RNA)
where:
Base-Base interactions energy: -1320.198
where: short stacking energy: -545.991
Base-Backbone interact. energy: -1.036
local terms energy: -555.523554
where:
bonds (distance) C4'-P energy: -100.944
bonds (distance) P-C4' energy: -99.589
flat angles C4'-P-C4' energy: -123.831
flat angles P-C4'-P energy: -79.639
tors. eta vs tors. theta energy: -151.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1821.676049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.676049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.676049 (E_RNA)
where:
Base-Base interactions energy: -1301.345
where: short stacking energy: -506.331
Base-Backbone interact. energy: 2.138
local terms energy: -522.469381
where:
bonds (distance) C4'-P energy: -104.703
bonds (distance) P-C4' energy: -94.046
flat angles C4'-P-C4' energy: -120.725
flat angles P-C4'-P energy: -74.775
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: 3, replica: 6
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1690.798094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.798094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.798094 (E_RNA)
where:
Base-Base interactions energy: -1174.906
where: short stacking energy: -495.313
Base-Backbone interact. energy: -3.123
local terms energy: -512.768697
where:
bonds (distance) C4'-P energy: -96.675
bonds (distance) P-C4' energy: -98.585
flat angles C4'-P-C4' energy: -109.159
flat angles P-C4'-P energy: -71.029
tors. eta vs tors. theta energy: -137.321
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: 4, replica: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1640.240941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.240941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.240941 (E_RNA)
where:
Base-Base interactions energy: -1110.291
where: short stacking energy: -486.797
Base-Backbone interact. energy: -2.365
local terms energy: -527.585116
where:
bonds (distance) C4'-P energy: -93.806
bonds (distance) P-C4' energy: -119.450
flat angles C4'-P-C4' energy: -110.177
flat angles P-C4'-P energy: -74.176
tors. eta vs tors. theta energy: -129.977
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: 297
Temperature: 1.100000
Total energy: -1623.569950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.569950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.569950 (E_RNA)
where:
Base-Base interactions energy: -1132.862
where: short stacking energy: -474.916
Base-Backbone interact. energy: 2.011
local terms energy: -492.718775
where:
bonds (distance) C4'-P energy: -86.957
bonds (distance) P-C4' energy: -82.652
flat angles C4'-P-C4' energy: -119.343
flat angles P-C4'-P energy: -69.110
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: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1516.644079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.644079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.644079 (E_RNA)
where:
Base-Base interactions energy: -1064.188
where: short stacking energy: -447.501
Base-Backbone interact. energy: -2.338
local terms energy: -450.117586
where:
bonds (distance) C4'-P energy: -74.834
bonds (distance) P-C4' energy: -86.174
flat angles C4'-P-C4' energy: -102.478
flat angles P-C4'-P energy: -73.879
tors. eta vs tors. theta energy: -112.753
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: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1372.491637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.491637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.491637 (E_RNA)
where:
Base-Base interactions energy: -914.474
where: short stacking energy: -404.155
Base-Backbone interact. energy: -0.414
local terms energy: -457.603159
where:
bonds (distance) C4'-P energy: -99.023
bonds (distance) P-C4' energy: -100.922
flat angles C4'-P-C4' energy: -103.896
flat angles P-C4'-P energy: -54.071
tors. eta vs tors. theta energy: -99.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1146.387690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.387690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.387690 (E_RNA)
where:
Base-Base interactions energy: -746.197
where: short stacking energy: -321.366
Base-Backbone interact. energy: -1.833
local terms energy: -398.357426
where:
bonds (distance) C4'-P energy: -84.782
bonds (distance) P-C4' energy: -97.497
flat angles C4'-P-C4' energy: -91.906
flat angles P-C4'-P energy: -61.460
tors. eta vs tors. theta energy: -62.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -717.998804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.998804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.998804 (E_RNA)
where:
Base-Base interactions energy: -424.814
where: short stacking energy: -233.386
Base-Backbone interact. energy: 1.054
local terms energy: -294.239017
where:
bonds (distance) C4'-P energy: -79.744
bonds (distance) P-C4' energy: -90.540
flat angles C4'-P-C4' energy: -76.651
flat angles P-C4'-P energy: -33.794
tors. eta vs tors. theta energy: -13.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -529.447546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.447546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.447546 (E_RNA)
where:
Base-Base interactions energy: -250.574
where: short stacking energy: -140.601
Base-Backbone interact. energy: -1.091
local terms energy: -277.782771
where:
bonds (distance) C4'-P energy: -87.383
bonds (distance) P-C4' energy: -78.823
flat angles C4'-P-C4' energy: -69.777
flat angles P-C4'-P energy: -37.171
tors. eta vs tors. theta energy: -4.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1912.224082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.224082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.224082 (E_RNA)
where:
Base-Base interactions energy: -1358.650
where: short stacking energy: -578.317
Base-Backbone interact. energy: -2.539
local terms energy: -551.035748
where:
bonds (distance) C4'-P energy: -93.389
bonds (distance) P-C4' energy: -105.723
flat angles C4'-P-C4' energy: -123.950
flat angles P-C4'-P energy: -73.690
tors. eta vs tors. theta energy: -154.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1831.219568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.219568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.219568 (E_RNA)
where:
Base-Base interactions energy: -1290.388
where: short stacking energy: -521.004
Base-Backbone interact. energy: -2.165
local terms energy: -538.666811
where:
bonds (distance) C4'-P energy: -105.531
bonds (distance) P-C4' energy: -106.680
flat angles C4'-P-C4' energy: -117.418
flat angles P-C4'-P energy: -70.914
tors. eta vs tors. theta energy: -138.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1683.749568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.749568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.749568 (E_RNA)
where:
Base-Base interactions energy: -1187.912
where: short stacking energy: -507.661
Base-Backbone interact. energy: -0.396
local terms energy: -495.442215
where:
bonds (distance) C4'-P energy: -83.164
bonds (distance) P-C4' energy: -102.581
flat angles C4'-P-C4' energy: -105.259
flat angles P-C4'-P energy: -66.154
tors. eta vs tors. theta energy: -138.284
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: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1610.121084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.121084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.121084 (E_RNA)
where:
Base-Base interactions energy: -1110.117
where: short stacking energy: -451.343
Base-Backbone interact. energy: -4.069
local terms energy: -495.935256
where:
bonds (distance) C4'-P energy: -92.315
bonds (distance) P-C4' energy: -101.503
flat angles C4'-P-C4' energy: -109.334
flat angles P-C4'-P energy: -65.547
tors. eta vs tors. theta energy: -127.238
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: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1616.780748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.780748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.780748 (E_RNA)
where:
Base-Base interactions energy: -1141.960
where: short stacking energy: -471.240
Base-Backbone interact. energy: -2.193
local terms energy: -472.627850
where:
bonds (distance) C4'-P energy: -93.802
bonds (distance) P-C4' energy: -50.430
flat angles C4'-P-C4' energy: -111.607
flat angles P-C4'-P energy: -83.074
tors. eta vs tors. theta energy: -133.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1510.720894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.720894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.720894 (E_RNA)
where:
Base-Base interactions energy: -1022.235
where: short stacking energy: -446.250
Base-Backbone interact. energy: 0.366
local terms energy: -488.852415
where:
bonds (distance) C4'-P energy: -89.955
bonds (distance) P-C4' energy: -105.561
flat angles C4'-P-C4' energy: -99.204
flat angles P-C4'-P energy: -74.143
tors. eta vs tors. theta energy: -119.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1306.845741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.845741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.845741 (E_RNA)
where:
Base-Base interactions energy: -877.847
where: short stacking energy: -372.205
Base-Backbone interact. energy: -1.151
local terms energy: -427.847248
where:
bonds (distance) C4'-P energy: -87.790
bonds (distance) P-C4' energy: -97.970
flat angles C4'-P-C4' energy: -87.980
flat angles P-C4'-P energy: -61.757
tors. eta vs tors. theta energy: -92.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -1128.041009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.041009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.041009 (E_RNA)
where:
Base-Base interactions energy: -736.997
where: short stacking energy: -348.434
Base-Backbone interact. energy: -0.987
local terms energy: -390.057333
where:
bonds (distance) C4'-P energy: -83.705
bonds (distance) P-C4' energy: -94.008
flat angles C4'-P-C4' energy: -85.052
flat angles P-C4'-P energy: -57.973
tors. eta vs tors. theta energy: -69.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -704.073103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.073103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.073103 (E_RNA)
where:
Base-Base interactions energy: -380.324
where: short stacking energy: -199.042
Base-Backbone interact. energy: -0.356
local terms energy: -323.393643
where:
bonds (distance) C4'-P energy: -97.698
bonds (distance) P-C4' energy: -75.345
flat angles C4'-P-C4' energy: -85.538
flat angles P-C4'-P energy: -57.818
tors. eta vs tors. theta energy: -6.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -559.199427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.199427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.199427 (E_RNA)
where:
Base-Base interactions energy: -274.579
where: short stacking energy: -156.660
Base-Backbone interact. energy: -1.155
local terms energy: -283.465691
where:
bonds (distance) C4'-P energy: -88.932
bonds (distance) P-C4' energy: -70.332
flat angles C4'-P-C4' energy: -84.917
flat angles P-C4'-P energy: -41.064
tors. eta vs tors. theta energy: 1.780
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: 299
Temperature: 0.900000
Total energy: -1892.842392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.842392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.842392 (E_RNA)
where:
Base-Base interactions energy: -1328.147
where: short stacking energy: -546.811
Base-Backbone interact. energy: -4.661
local terms energy: -560.034526
where:
bonds (distance) C4'-P energy: -95.331
bonds (distance) P-C4' energy: -107.828
flat angles C4'-P-C4' energy: -120.295
flat angles P-C4'-P energy: -77.379
tors. eta vs tors. theta energy: -159.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1828.139979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.139979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.139979 (E_RNA)
where:
Base-Base interactions energy: -1293.668
where: short stacking energy: -519.383
Base-Backbone interact. energy: 0.078
local terms energy: -534.549937
where:
bonds (distance) C4'-P energy: -104.876
bonds (distance) P-C4' energy: -97.799
flat angles C4'-P-C4' energy: -115.780
flat angles P-C4'-P energy: -79.092
tors. eta vs tors. theta energy: -137.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1689.530804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.530804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.530804 (E_RNA)
where:
Base-Base interactions energy: -1168.770
where: short stacking energy: -494.171
Base-Backbone interact. energy: 0.448
local terms energy: -521.208565
where:
bonds (distance) C4'-P energy: -98.778
bonds (distance) P-C4' energy: -97.650
flat angles C4'-P-C4' energy: -104.507
flat angles P-C4'-P energy: -79.131
tors. eta vs tors. theta energy: -141.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1572.108443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.108443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.108443 (E_RNA)
where:
Base-Base interactions energy: -1074.096
where: short stacking energy: -451.782
Base-Backbone interact. energy: -0.428
local terms energy: -497.584663
where:
bonds (distance) C4'-P energy: -88.968
bonds (distance) P-C4' energy: -95.619
flat angles C4'-P-C4' energy: -112.967
flat angles P-C4'-P energy: -75.323
tors. eta vs tors. theta energy: -124.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1545.599740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.599740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.599740 (E_RNA)
where:
Base-Base interactions energy: -1057.623
where: short stacking energy: -456.461
Base-Backbone interact. energy: -1.149
local terms energy: -486.827294
where:
bonds (distance) C4'-P energy: -98.887
bonds (distance) P-C4' energy: -89.206
flat angles C4'-P-C4' energy: -104.977
flat angles P-C4'-P energy: -78.352
tors. eta vs tors. theta energy: -115.405
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: 299
Temperature: 1.150000
Total energy: -1462.536269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.536269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.536269 (E_RNA)
where:
Base-Base interactions energy: -1018.379
where: short stacking energy: -407.255
Base-Backbone interact. energy: -2.545
local terms energy: -441.612018
where:
bonds (distance) C4'-P energy: -97.227
bonds (distance) P-C4' energy: -89.790
flat angles C4'-P-C4' energy: -102.986
flat angles P-C4'-P energy: -49.550
tors. eta vs tors. theta energy: -102.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1334.881602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.881602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.881602 (E_RNA)
where:
Base-Base interactions energy: -903.750
where: short stacking energy: -370.617
Base-Backbone interact. energy: -0.992
local terms energy: -430.140430
where:
bonds (distance) C4'-P energy: -83.936
bonds (distance) P-C4' energy: -98.118
flat angles C4'-P-C4' energy: -99.875
flat angles P-C4'-P energy: -62.858
tors. eta vs tors. theta energy: -85.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1122.052476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.052476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.052476 (E_RNA)
where:
Base-Base interactions energy: -732.124
where: short stacking energy: -311.174
Base-Backbone interact. energy: 1.409
local terms energy: -391.337044
where:
bonds (distance) C4'-P energy: -86.986
bonds (distance) P-C4' energy: -93.991
flat angles C4'-P-C4' energy: -77.787
flat angles P-C4'-P energy: -71.995
tors. eta vs tors. theta energy: -60.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -713.382332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.382332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.382332 (E_RNA)
where:
Base-Base interactions energy: -384.785
where: short stacking energy: -195.376
Base-Backbone interact. energy: -0.111
local terms energy: -328.485995
where:
bonds (distance) C4'-P energy: -100.875
bonds (distance) P-C4' energy: -102.523
flat angles C4'-P-C4' energy: -78.348
flat angles P-C4'-P energy: -39.975
tors. eta vs tors. theta energy: -6.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -600.267831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.267831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.267831 (E_RNA)
where:
Base-Base interactions energy: -308.544
where: short stacking energy: -147.492
Base-Backbone interact. energy: -1.844
local terms energy: -289.880086
where:
bonds (distance) C4'-P energy: -90.205
bonds (distance) P-C4' energy: -92.184
flat angles C4'-P-C4' energy: -78.068
flat angles P-C4'-P energy: -50.687
tors. eta vs tors. theta energy: 21.264
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: 300
Temperature: 0.900000
Total energy: -1882.219246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.219246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.219246 (E_RNA)
where:
Base-Base interactions energy: -1332.104
where: short stacking energy: -538.240
Base-Backbone interact. energy: -3.553
local terms energy: -546.562778
where:
bonds (distance) C4'-P energy: -104.881
bonds (distance) P-C4' energy: -101.622
flat angles C4'-P-C4' energy: -116.788
flat angles P-C4'-P energy: -73.982
tors. eta vs tors. theta energy: -149.289
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: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1829.141739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.141739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.141739 (E_RNA)
where:
Base-Base interactions energy: -1302.103
where: short stacking energy: -512.460
Base-Backbone interact. energy: -3.660
local terms energy: -523.378931
where:
bonds (distance) C4'-P energy: -99.652
bonds (distance) P-C4' energy: -85.979
flat angles C4'-P-C4' energy: -118.617
flat angles P-C4'-P energy: -78.517
tors. eta vs tors. theta energy: -140.614
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: 6
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1690.863934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.863934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.863934 (E_RNA)
where:
Base-Base interactions energy: -1160.032
where: short stacking energy: -494.405
Base-Backbone interact. energy: -2.676
local terms energy: -528.155531
where:
bonds (distance) C4'-P energy: -93.657
bonds (distance) P-C4' energy: -91.145
flat angles C4'-P-C4' energy: -119.149
flat angles P-C4'-P energy: -76.857
tors. eta vs tors. theta energy: -147.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1572.403452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.403452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.403452 (E_RNA)
where:
Base-Base interactions energy: -1084.471
where: short stacking energy: -423.287
Base-Backbone interact. energy: -0.446
local terms energy: -487.486662
where:
bonds (distance) C4'-P energy: -93.710
bonds (distance) P-C4' energy: -105.970
flat angles C4'-P-C4' energy: -97.138
flat angles P-C4'-P energy: -82.254
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: 5, replica: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1544.833471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.833471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.833471 (E_RNA)
where:
Base-Base interactions energy: -1086.470
where: short stacking energy: -445.755
Base-Backbone interact. energy: 1.964
local terms energy: -460.327155
where:
bonds (distance) C4'-P energy: -90.308
bonds (distance) P-C4' energy: -105.887
flat angles C4'-P-C4' energy: -78.441
flat angles P-C4'-P energy: -67.112
tors. eta vs tors. theta energy: -118.580
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: 4
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1455.783883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.783883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.783883 (E_RNA)
where:
Base-Base interactions energy: -999.929
where: short stacking energy: -441.397
Base-Backbone interact. energy: 3.669
local terms energy: -459.524119
where:
bonds (distance) C4'-P energy: -85.126
bonds (distance) P-C4' energy: -93.804
flat angles C4'-P-C4' energy: -104.813
flat angles P-C4'-P energy: -67.072
tors. eta vs tors. theta energy: -108.710
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: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1321.018945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.018945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.018945 (E_RNA)
where:
Base-Base interactions energy: -899.101
where: short stacking energy: -397.439
Base-Backbone interact. energy: -1.870
local terms energy: -420.048487
where:
bonds (distance) C4'-P energy: -89.664
bonds (distance) P-C4' energy: -82.310
flat angles C4'-P-C4' energy: -98.965
flat angles P-C4'-P energy: -54.891
tors. eta vs tors. theta energy: -94.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1131.046951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.046951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.046951 (E_RNA)
where:
Base-Base interactions energy: -741.367
where: short stacking energy: -332.163
Base-Backbone interact. energy: -2.004
local terms energy: -387.675941
where:
bonds (distance) C4'-P energy: -77.698
bonds (distance) P-C4' energy: -96.058
flat angles C4'-P-C4' energy: -81.141
flat angles P-C4'-P energy: -60.550
tors. eta vs tors. theta energy: -72.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -807.832585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.832585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.832585 (E_RNA)
where:
Base-Base interactions energy: -491.306
where: short stacking energy: -217.696
Base-Backbone interact. energy: 0.095
local terms energy: -316.622179
where:
bonds (distance) C4'-P energy: -62.641
bonds (distance) P-C4' energy: -89.857
flat angles C4'-P-C4' energy: -80.326
flat angles P-C4'-P energy: -57.527
tors. eta vs tors. theta energy: -26.271
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: 300
Temperature: 1.350000
Total energy: -531.171686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.171686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.171686 (E_RNA)
where:
Base-Base interactions energy: -252.128
where: short stacking energy: -167.961
Base-Backbone interact. energy: -1.880
local terms energy: -277.163483
where:
bonds (distance) C4'-P energy: -85.797
bonds (distance) P-C4' energy: -66.897
flat angles C4'-P-C4' energy: -73.982
flat angles P-C4'-P energy: -47.284
tors. eta vs tors. theta energy: -3.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1908.675560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.675560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.675560 (E_RNA)
where:
Base-Base interactions energy: -1350.332
where: short stacking energy: -546.493
Base-Backbone interact. energy: -3.788
local terms energy: -554.554902
where:
bonds (distance) C4'-P energy: -104.939
bonds (distance) P-C4' energy: -108.438
flat angles C4'-P-C4' energy: -117.458
flat angles P-C4'-P energy: -76.242
tors. eta vs tors. theta energy: -147.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1804.464000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.464000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.464000 (E_RNA)
where:
Base-Base interactions energy: -1273.928
where: short stacking energy: -510.930
Base-Backbone interact. energy: 0.476
local terms energy: -531.011578
where:
bonds (distance) C4'-P energy: -108.938
bonds (distance) P-C4' energy: -99.068
flat angles C4'-P-C4' energy: -117.080
flat angles P-C4'-P energy: -73.098
tors. eta vs tors. theta energy: -132.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1701.292736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.292736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.292736 (E_RNA)
where:
Base-Base interactions energy: -1183.384
where: short stacking energy: -492.132
Base-Backbone interact. energy: -0.381
local terms energy: -517.526879
where:
bonds (distance) C4'-P energy: -93.015
bonds (distance) P-C4' energy: -106.896
flat angles C4'-P-C4' energy: -110.028
flat angles P-C4'-P energy: -72.188
tors. eta vs tors. theta energy: -135.401
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: 5
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1563.788271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.788271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.788271 (E_RNA)
where:
Base-Base interactions energy: -1057.452
where: short stacking energy: -471.839
Base-Backbone interact. energy: 0.912
local terms energy: -507.247712
where:
bonds (distance) C4'-P energy: -98.736
bonds (distance) P-C4' energy: -102.027
flat angles C4'-P-C4' energy: -103.364
flat angles P-C4'-P energy: -78.577
tors. eta vs tors. theta energy: -124.543
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: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1594.331067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.331067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.331067 (E_RNA)
where:
Base-Base interactions energy: -1094.158
where: short stacking energy: -480.895
Base-Backbone interact. energy: 0.712
local terms energy: -500.884646
where:
bonds (distance) C4'-P energy: -92.580
bonds (distance) P-C4' energy: -100.841
flat angles C4'-P-C4' energy: -101.306
flat angles P-C4'-P energy: -73.921
tors. eta vs tors. theta energy: -132.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1441.616622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.616622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.616622 (E_RNA)
where:
Base-Base interactions energy: -991.106
where: short stacking energy: -402.181
Base-Backbone interact. energy: -2.270
local terms energy: -448.240630
where:
bonds (distance) C4'-P energy: -91.264
bonds (distance) P-C4' energy: -101.637
flat angles C4'-P-C4' energy: -95.719
flat angles P-C4'-P energy: -52.974
tors. eta vs tors. theta energy: -106.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1311.247827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.247827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.247827 (E_RNA)
where:
Base-Base interactions energy: -916.442
where: short stacking energy: -360.701
Base-Backbone interact. energy: -1.177
local terms energy: -393.628578
where:
bonds (distance) C4'-P energy: -72.468
bonds (distance) P-C4' energy: -76.449
flat angles C4'-P-C4' energy: -93.210
flat angles P-C4'-P energy: -60.578
tors. eta vs tors. theta energy: -90.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1190.014746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.014746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.014746 (E_RNA)
where:
Base-Base interactions energy: -808.778
where: short stacking energy: -326.104
Base-Backbone interact. energy: 1.084
local terms energy: -382.321261
where:
bonds (distance) C4'-P energy: -73.708
bonds (distance) P-C4' energy: -90.902
flat angles C4'-P-C4' energy: -91.445
flat angles P-C4'-P energy: -61.426
tors. eta vs tors. theta energy: -64.840
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: 9
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -808.475313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.475313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.475313 (E_RNA)
where:
Base-Base interactions energy: -492.967
where: short stacking energy: -242.532
Base-Backbone interact. energy: -2.311
local terms energy: -313.196938
where:
bonds (distance) C4'-P energy: -51.681
bonds (distance) P-C4' energy: -86.348
flat angles C4'-P-C4' energy: -80.693
flat angles P-C4'-P energy: -58.606
tors. eta vs tors. theta energy: -35.870
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: 301
Temperature: 1.350000
Total energy: -553.218270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.218270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.218270 (E_RNA)
where:
Base-Base interactions energy: -257.187
where: short stacking energy: -146.926
Base-Backbone interact. energy: -5.259
local terms energy: -290.772372
where:
bonds (distance) C4'-P energy: -70.209
bonds (distance) P-C4' energy: -96.093
flat angles C4'-P-C4' energy: -63.280
flat angles P-C4'-P energy: -70.322
tors. eta vs tors. theta energy: 9.130
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: 302
Temperature: 0.900000
Total energy: -1870.657711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.657711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.657711 (E_RNA)
where:
Base-Base interactions energy: -1306.024
where: short stacking energy: -524.174
Base-Backbone interact. energy: -3.432
local terms energy: -561.202125
where:
bonds (distance) C4'-P energy: -110.448
bonds (distance) P-C4' energy: -101.951
flat angles C4'-P-C4' energy: -121.237
flat angles P-C4'-P energy: -75.635
tors. eta vs tors. theta energy: -151.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1798.156177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.156177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.156177 (E_RNA)
where:
Base-Base interactions energy: -1282.586
where: short stacking energy: -513.399
Base-Backbone interact. energy: -2.089
local terms energy: -513.480892
where:
bonds (distance) C4'-P energy: -105.763
bonds (distance) P-C4' energy: -98.615
flat angles C4'-P-C4' energy: -107.978
flat angles P-C4'-P energy: -66.980
tors. eta vs tors. theta energy: -134.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1694.479215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.479215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.479215 (E_RNA)
where:
Base-Base interactions energy: -1167.843
where: short stacking energy: -518.985
Base-Backbone interact. energy: -1.891
local terms energy: -524.745016
where:
bonds (distance) C4'-P energy: -77.423
bonds (distance) P-C4' energy: -99.689
flat angles C4'-P-C4' energy: -115.427
flat angles P-C4'-P energy: -79.435
tors. eta vs tors. theta energy: -152.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1583.711823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.711823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.711823 (E_RNA)
where:
Base-Base interactions energy: -1064.985
where: short stacking energy: -453.829
Base-Backbone interact. energy: 1.858
local terms energy: -520.585346
where:
bonds (distance) C4'-P energy: -98.192
bonds (distance) P-C4' energy: -100.340
flat angles C4'-P-C4' energy: -121.419
flat angles P-C4'-P energy: -84.430
tors. eta vs tors. theta energy: -116.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1569.918325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.918325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.918325 (E_RNA)
where:
Base-Base interactions energy: -1098.816
where: short stacking energy: -450.639
Base-Backbone interact. energy: -3.380
local terms energy: -467.722982
where:
bonds (distance) C4'-P energy: -98.635
bonds (distance) P-C4' energy: -93.832
flat angles C4'-P-C4' energy: -100.649
flat angles P-C4'-P energy: -64.879
tors. eta vs tors. theta energy: -109.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1464.200948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.200948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.200948 (E_RNA)
where:
Base-Base interactions energy: -993.558
where: short stacking energy: -406.882
Base-Backbone interact. energy: -0.304
local terms energy: -470.338948
where:
bonds (distance) C4'-P energy: -90.788
bonds (distance) P-C4' energy: -97.186
flat angles C4'-P-C4' energy: -110.835
flat angles P-C4'-P energy: -73.231
tors. eta vs tors. theta energy: -98.298
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: 302
Temperature: 1.200000
Total energy: -1208.537665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.537665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.537665 (E_RNA)
where:
Base-Base interactions energy: -807.106
where: short stacking energy: -350.512
Base-Backbone interact. energy: 1.617
local terms energy: -403.048763
where:
bonds (distance) C4'-P energy: -84.184
bonds (distance) P-C4' energy: -88.837
flat angles C4'-P-C4' energy: -101.185
flat angles P-C4'-P energy: -59.467
tors. eta vs tors. theta energy: -69.377
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: 8, replica: 8
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1270.196971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.196971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.196971 (E_RNA)
where:
Base-Base interactions energy: -873.304
where: short stacking energy: -363.982
Base-Backbone interact. energy: -0.002
local terms energy: -396.891238
where:
bonds (distance) C4'-P energy: -71.463
bonds (distance) P-C4' energy: -98.546
flat angles C4'-P-C4' energy: -93.505
flat angles P-C4'-P energy: -58.553
tors. eta vs tors. theta energy: -74.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -791.885729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.885729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.885729 (E_RNA)
where:
Base-Base interactions energy: -454.218
where: short stacking energy: -233.367
Base-Backbone interact. energy: -1.464
local terms energy: -336.203909
where:
bonds (distance) C4'-P energy: -65.824
bonds (distance) P-C4' energy: -94.320
flat angles C4'-P-C4' energy: -88.350
flat angles P-C4'-P energy: -46.667
tors. eta vs tors. theta energy: -41.042
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: 302
Temperature: 1.350000
Total energy: -537.105589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.105589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.105589 (E_RNA)
where:
Base-Base interactions energy: -288.308
where: short stacking energy: -165.508
Base-Backbone interact. energy: 3.578
local terms energy: -252.375372
where:
bonds (distance) C4'-P energy: -74.397
bonds (distance) P-C4' energy: -83.941
flat angles C4'-P-C4' energy: -63.899
flat angles P-C4'-P energy: -47.475
tors. eta vs tors. theta energy: 17.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1871.947938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.947938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.947938 (E_RNA)
where:
Base-Base interactions energy: -1328.564
where: short stacking energy: -543.048
Base-Backbone interact. energy: -4.232
local terms energy: -539.151478
where:
bonds (distance) C4'-P energy: -98.087
bonds (distance) P-C4' energy: -100.131
flat angles C4'-P-C4' energy: -114.844
flat angles P-C4'-P energy: -77.647
tors. eta vs tors. theta energy: -148.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1799.761982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.761982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.761982 (E_RNA)
where:
Base-Base interactions energy: -1295.189
where: short stacking energy: -505.940
Base-Backbone interact. energy: -2.262
local terms energy: -502.311456
where:
bonds (distance) C4'-P energy: -97.741
bonds (distance) P-C4' energy: -93.435
flat angles C4'-P-C4' energy: -108.243
flat angles P-C4'-P energy: -68.416
tors. eta vs tors. theta energy: -134.477
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: 6
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1671.593930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.593930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.593930 (E_RNA)
where:
Base-Base interactions energy: -1176.652
where: short stacking energy: -484.238
Base-Backbone interact. energy: -1.138
local terms energy: -493.803676
where:
bonds (distance) C4'-P energy: -97.247
bonds (distance) P-C4' energy: -93.554
flat angles C4'-P-C4' energy: -103.254
flat angles P-C4'-P energy: -63.153
tors. eta vs tors. theta energy: -136.595
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: 4, replica: 3
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1640.177282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.177282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.177282 (E_RNA)
where:
Base-Base interactions energy: -1117.877
where: short stacking energy: -478.582
Base-Backbone interact. energy: -0.341
local terms energy: -521.958857
where:
bonds (distance) C4'-P energy: -103.561
bonds (distance) P-C4' energy: -100.866
flat angles C4'-P-C4' energy: -115.112
flat angles P-C4'-P energy: -73.474
tors. eta vs tors. theta energy: -128.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1494.670513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.670513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.670513 (E_RNA)
where:
Base-Base interactions energy: -1054.368
where: short stacking energy: -454.374
Base-Backbone interact. energy: -3.026
local terms energy: -437.276248
where:
bonds (distance) C4'-P energy: -83.804
bonds (distance) P-C4' energy: -75.992
flat angles C4'-P-C4' energy: -90.553
flat angles P-C4'-P energy: -73.546
tors. eta vs tors. theta energy: -113.382
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: 6, replica: 4
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1490.960004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.960004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.960004 (E_RNA)
where:
Base-Base interactions energy: -1034.498
where: short stacking energy: -424.062
Base-Backbone interact. energy: 0.463
local terms energy: -456.924321
where:
bonds (distance) C4'-P energy: -98.017
bonds (distance) P-C4' energy: -97.691
flat angles C4'-P-C4' energy: -95.190
flat angles P-C4'-P energy: -63.351
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: 7
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1243.082632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.082632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.082632 (E_RNA)
where:
Base-Base interactions energy: -799.859
where: short stacking energy: -350.419
Base-Backbone interact. energy: -1.991
local terms energy: -441.233383
where:
bonds (distance) C4'-P energy: -93.226
bonds (distance) P-C4' energy: -96.234
flat angles C4'-P-C4' energy: -102.559
flat angles P-C4'-P energy: -67.150
tors. eta vs tors. theta energy: -82.064
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: 8, replica: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1271.317586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.317586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.317586 (E_RNA)
where:
Base-Base interactions energy: -869.569
where: short stacking energy: -348.079
Base-Backbone interact. energy: -2.005
local terms energy: -399.743426
where:
bonds (distance) C4'-P energy: -90.463
bonds (distance) P-C4' energy: -96.882
flat angles C4'-P-C4' energy: -85.349
flat angles P-C4'-P energy: -55.645
tors. eta vs tors. theta energy: -71.404
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: 9, replica: 9
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -752.369943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.369943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.369943 (E_RNA)
where:
Base-Base interactions energy: -446.848
where: short stacking energy: -225.836
Base-Backbone interact. energy: 0.021
local terms energy: -305.542173
where:
bonds (distance) C4'-P energy: -78.036
bonds (distance) P-C4' energy: -87.707
flat angles C4'-P-C4' energy: -81.976
flat angles P-C4'-P energy: -49.929
tors. eta vs tors. theta energy: -7.894
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: 303
Temperature: 1.350000
Total energy: -625.630940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.630940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.630940 (E_RNA)
where:
Base-Base interactions energy: -328.420
where: short stacking energy: -167.432
Base-Backbone interact. energy: -0.318
local terms energy: -296.892755
where:
bonds (distance) C4'-P energy: -89.441
bonds (distance) P-C4' energy: -88.479
flat angles C4'-P-C4' energy: -76.777
flat angles P-C4'-P energy: -33.837
tors. eta vs tors. theta energy: -8.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1880.116164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.116164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.116164 (E_RNA)
where:
Base-Base interactions energy: -1311.425
where: short stacking energy: -535.501
Base-Backbone interact. energy: -1.962
local terms energy: -566.728396
where:
bonds (distance) C4'-P energy: -96.528
bonds (distance) P-C4' energy: -104.565
flat angles C4'-P-C4' energy: -122.521
flat angles P-C4'-P energy: -88.219
tors. eta vs tors. theta energy: -154.896
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: 304
Temperature: 0.950000
Total energy: -1802.169903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.169903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.169903 (E_RNA)
where:
Base-Base interactions energy: -1268.741
where: short stacking energy: -524.499
Base-Backbone interact. energy: -4.981
local terms energy: -528.447394
where:
bonds (distance) C4'-P energy: -92.212
bonds (distance) P-C4' energy: -97.353
flat angles C4'-P-C4' energy: -125.522
flat angles P-C4'-P energy: -75.266
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: 3, replica: 6
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1658.585077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.585077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.585077 (E_RNA)
where:
Base-Base interactions energy: -1155.418
where: short stacking energy: -490.262
Base-Backbone interact. energy: 0.257
local terms energy: -503.423925
where:
bonds (distance) C4'-P energy: -87.417
bonds (distance) P-C4' energy: -104.314
flat angles C4'-P-C4' energy: -107.211
flat angles P-C4'-P energy: -75.921
tors. eta vs tors. theta energy: -128.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1649.305888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.305888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.305888 (E_RNA)
where:
Base-Base interactions energy: -1126.126
where: short stacking energy: -493.822
Base-Backbone interact. energy: -0.585
local terms energy: -522.594002
where:
bonds (distance) C4'-P energy: -98.567
bonds (distance) P-C4' energy: -100.088
flat angles C4'-P-C4' energy: -106.574
flat angles P-C4'-P energy: -77.025
tors. eta vs tors. theta energy: -140.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1534.032855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.032855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.032855 (E_RNA)
where:
Base-Base interactions energy: -1060.175
where: short stacking energy: -454.977
Base-Backbone interact. energy: 3.009
local terms energy: -476.866890
where:
bonds (distance) C4'-P energy: -87.446
bonds (distance) P-C4' energy: -87.686
flat angles C4'-P-C4' energy: -109.351
flat angles P-C4'-P energy: -67.114
tors. eta vs tors. theta energy: -125.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1497.351715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.351715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.351715 (E_RNA)
where:
Base-Base interactions energy: -1026.873
where: short stacking energy: -433.308
Base-Backbone interact. energy: -2.488
local terms energy: -467.990463
where:
bonds (distance) C4'-P energy: -89.484
bonds (distance) P-C4' energy: -101.024
flat angles C4'-P-C4' energy: -102.217
flat angles P-C4'-P energy: -62.025
tors. eta vs tors. theta energy: -113.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1311.351087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.351087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.351087 (E_RNA)
where:
Base-Base interactions energy: -870.868
where: short stacking energy: -392.922
Base-Backbone interact. energy: -2.186
local terms energy: -438.297657
where:
bonds (distance) C4'-P energy: -93.087
bonds (distance) P-C4' energy: -95.657
flat angles C4'-P-C4' energy: -93.825
flat angles P-C4'-P energy: -66.326
tors. eta vs tors. theta energy: -89.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1214.215177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.215177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.215177 (E_RNA)
where:
Base-Base interactions energy: -815.623
where: short stacking energy: -359.172
Base-Backbone interact. energy: -0.223
local terms energy: -398.369015
where:
bonds (distance) C4'-P energy: -85.790
bonds (distance) P-C4' energy: -91.085
flat angles C4'-P-C4' energy: -84.515
flat angles P-C4'-P energy: -57.384
tors. eta vs tors. theta energy: -79.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -726.795554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.795554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.795554 (E_RNA)
where:
Base-Base interactions energy: -420.040
where: short stacking energy: -212.585
Base-Backbone interact. energy: -1.279
local terms energy: -305.476899
where:
bonds (distance) C4'-P energy: -82.379
bonds (distance) P-C4' energy: -89.852
flat angles C4'-P-C4' energy: -78.732
flat angles P-C4'-P energy: -42.806
tors. eta vs tors. theta energy: -11.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -631.548102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.548102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.548102 (E_RNA)
where:
Base-Base interactions energy: -321.233
where: short stacking energy: -189.209
Base-Backbone interact. energy: 3.793
local terms energy: -314.108203
where:
bonds (distance) C4'-P energy: -76.039
bonds (distance) P-C4' energy: -74.920
flat angles C4'-P-C4' energy: -84.375
flat angles P-C4'-P energy: -58.158
tors. eta vs tors. theta energy: -20.616
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: 305
Temperature: 0.900000
Total energy: -1885.885134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.885134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.885134 (E_RNA)
where:
Base-Base interactions energy: -1336.366
where: short stacking energy: -544.013
Base-Backbone interact. energy: -0.654
local terms energy: -548.864787
where:
bonds (distance) C4'-P energy: -106.551
bonds (distance) P-C4' energy: -108.892
flat angles C4'-P-C4' energy: -116.553
flat angles P-C4'-P energy: -70.372
tors. eta vs tors. theta energy: -146.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1823.300080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.300080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.300080 (E_RNA)
where:
Base-Base interactions energy: -1264.902
where: short stacking energy: -504.603
Base-Backbone interact. energy: 2.136
local terms energy: -560.533838
where:
bonds (distance) C4'-P energy: -99.002
bonds (distance) P-C4' energy: -106.966
flat angles C4'-P-C4' energy: -123.492
flat angles P-C4'-P energy: -89.061
tors. eta vs tors. theta energy: -142.013
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: 6
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1668.230241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.230241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.230241 (E_RNA)
where:
Base-Base interactions energy: -1134.507
where: short stacking energy: -480.293
Base-Backbone interact. energy: -3.566
local terms energy: -530.157085
where:
bonds (distance) C4'-P energy: -101.526
bonds (distance) P-C4' energy: -102.405
flat angles C4'-P-C4' energy: -117.275
flat angles P-C4'-P energy: -74.177
tors. eta vs tors. theta energy: -134.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1639.880935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.880935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.880935 (E_RNA)
where:
Base-Base interactions energy: -1112.649
where: short stacking energy: -470.756
Base-Backbone interact. energy: -0.279
local terms energy: -526.952998
where:
bonds (distance) C4'-P energy: -105.983
bonds (distance) P-C4' energy: -96.378
flat angles C4'-P-C4' energy: -111.007
flat angles P-C4'-P energy: -77.003
tors. eta vs tors. theta energy: -136.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1588.193023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.193023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.193023 (E_RNA)
where:
Base-Base interactions energy: -1106.245
where: short stacking energy: -479.569
Base-Backbone interact. energy: -1.497
local terms energy: -480.450609
where:
bonds (distance) C4'-P energy: -86.328
bonds (distance) P-C4' energy: -90.159
flat angles C4'-P-C4' energy: -113.793
flat angles P-C4'-P energy: -58.261
tors. eta vs tors. theta energy: -131.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1477.609833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.609833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.609833 (E_RNA)
where:
Base-Base interactions energy: -1012.613
where: short stacking energy: -424.399
Base-Backbone interact. energy: -0.620
local terms energy: -464.377150
where:
bonds (distance) C4'-P energy: -96.175
bonds (distance) P-C4' energy: -83.644
flat angles C4'-P-C4' energy: -103.609
flat angles P-C4'-P energy: -80.187
tors. eta vs tors. theta energy: -100.762
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: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1388.053833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.053833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.053833 (E_RNA)
where:
Base-Base interactions energy: -948.390
where: short stacking energy: -409.034
Base-Backbone interact. energy: 1.596
local terms energy: -441.259215
where:
bonds (distance) C4'-P energy: -78.137
bonds (distance) P-C4' energy: -77.773
flat angles C4'-P-C4' energy: -110.488
flat angles P-C4'-P energy: -67.298
tors. eta vs tors. theta energy: -107.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1278.898909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.898909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.898909 (E_RNA)
where:
Base-Base interactions energy: -882.045
where: short stacking energy: -347.368
Base-Backbone interact. energy: -2.786
local terms energy: -394.068198
where:
bonds (distance) C4'-P energy: -68.105
bonds (distance) P-C4' energy: -78.968
flat angles C4'-P-C4' energy: -102.207
flat angles P-C4'-P energy: -63.961
tors. eta vs tors. theta energy: -80.828
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: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -722.006895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.006895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.006895 (E_RNA)
where:
Base-Base interactions energy: -387.184
where: short stacking energy: -198.071
Base-Backbone interact. energy: 2.549
local terms energy: -337.372357
where:
bonds (distance) C4'-P energy: -65.941
bonds (distance) P-C4' energy: -87.927
flat angles C4'-P-C4' energy: -98.962
flat angles P-C4'-P energy: -61.452
tors. eta vs tors. theta energy: -23.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -657.717602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.717602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.717602 (E_RNA)
where:
Base-Base interactions energy: -349.362
where: short stacking energy: -193.943
Base-Backbone interact. energy: 0.094
local terms energy: -308.449036
where:
bonds (distance) C4'-P energy: -91.355
bonds (distance) P-C4' energy: -82.885
flat angles C4'-P-C4' energy: -77.988
flat angles P-C4'-P energy: -40.607
tors. eta vs tors. theta energy: -15.614
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: 1, replica: 1
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1846.417572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.417572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.417572 (E_RNA)
where:
Base-Base interactions energy: -1325.783
where: short stacking energy: -524.531
Base-Backbone interact. energy: -6.769
local terms energy: -513.865926
where:
bonds (distance) C4'-P energy: -102.875
bonds (distance) P-C4' energy: -83.554
flat angles C4'-P-C4' energy: -112.172
flat angles P-C4'-P energy: -76.521
tors. eta vs tors. theta energy: -138.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1813.725907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.725907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.725907 (E_RNA)
where:
Base-Base interactions energy: -1255.531
where: short stacking energy: -520.670
Base-Backbone interact. energy: -3.514
local terms energy: -554.681134
where:
bonds (distance) C4'-P energy: -106.530
bonds (distance) P-C4' energy: -101.798
flat angles C4'-P-C4' energy: -123.108
flat angles P-C4'-P energy: -82.467
tors. eta vs tors. theta energy: -140.777
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: 6
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1695.177650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.177650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.177650 (E_RNA)
where:
Base-Base interactions energy: -1178.126
where: short stacking energy: -513.432
Base-Backbone interact. energy: -2.165
local terms energy: -514.886783
where:
bonds (distance) C4'-P energy: -85.080
bonds (distance) P-C4' energy: -91.160
flat angles C4'-P-C4' energy: -117.082
flat angles P-C4'-P energy: -79.846
tors. eta vs tors. theta energy: -141.719
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: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1614.627220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.627220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.627220 (E_RNA)
where:
Base-Base interactions energy: -1151.276
where: short stacking energy: -501.032
Base-Backbone interact. energy: 3.505
local terms energy: -466.856048
where:
bonds (distance) C4'-P energy: -77.670
bonds (distance) P-C4' energy: -105.947
flat angles C4'-P-C4' energy: -101.760
flat angles P-C4'-P energy: -64.135
tors. eta vs tors. theta energy: -117.344
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: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1498.878299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.878299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.878299 (E_RNA)
where:
Base-Base interactions energy: -1036.184
where: short stacking energy: -442.465
Base-Backbone interact. energy: 0.460
local terms energy: -463.153728
where:
bonds (distance) C4'-P energy: -84.613
bonds (distance) P-C4' energy: -86.240
flat angles C4'-P-C4' energy: -109.216
flat angles P-C4'-P energy: -73.774
tors. eta vs tors. theta energy: -109.310
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: 4
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1455.771802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.771802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.771802 (E_RNA)
where:
Base-Base interactions energy: -972.340
where: short stacking energy: -410.711
Base-Backbone interact. energy: -0.759
local terms energy: -482.672602
where:
bonds (distance) C4'-P energy: -106.509
bonds (distance) P-C4' energy: -102.005
flat angles C4'-P-C4' energy: -116.090
flat angles P-C4'-P energy: -48.279
tors. eta vs tors. theta energy: -109.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1291.753710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.753710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.753710 (E_RNA)
where:
Base-Base interactions energy: -897.448
where: short stacking energy: -369.910
Base-Backbone interact. energy: -0.064
local terms energy: -394.242203
where:
bonds (distance) C4'-P energy: -91.003
bonds (distance) P-C4' energy: -82.054
flat angles C4'-P-C4' energy: -77.760
flat angles P-C4'-P energy: -65.398
tors. eta vs tors. theta energy: -78.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1276.877209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.877209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.877209 (E_RNA)
where:
Base-Base interactions energy: -874.464
where: short stacking energy: -326.593
Base-Backbone interact. energy: 1.683
local terms energy: -404.096132
where:
bonds (distance) C4'-P energy: -84.063
bonds (distance) P-C4' energy: -81.748
flat angles C4'-P-C4' energy: -79.848
flat angles P-C4'-P energy: -72.385
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: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -743.347451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.347451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.347451 (E_RNA)
where:
Base-Base interactions energy: -400.891
where: short stacking energy: -202.738
Base-Backbone interact. energy: -3.469
local terms energy: -338.987245
where:
bonds (distance) C4'-P energy: -80.102
bonds (distance) P-C4' energy: -95.421
flat angles C4'-P-C4' energy: -104.190
flat angles P-C4'-P energy: -25.766
tors. eta vs tors. theta energy: -33.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -643.608745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.608745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.608745 (E_RNA)
where:
Base-Base interactions energy: -370.806
where: short stacking energy: -176.421
Base-Backbone interact. energy: 1.157
local terms energy: -273.959806
where:
bonds (distance) C4'-P energy: -75.502
bonds (distance) P-C4' energy: -82.820
flat angles C4'-P-C4' energy: -74.467
flat angles P-C4'-P energy: -39.914
tors. eta vs tors. theta energy: -1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1879.908760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.908760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.908760 (E_RNA)
where:
Base-Base interactions energy: -1327.698
where: short stacking energy: -548.398
Base-Backbone interact. energy: -0.501
local terms energy: -551.710466
where:
bonds (distance) C4'-P energy: -91.402
bonds (distance) P-C4' energy: -108.461
flat angles C4'-P-C4' energy: -118.671
flat angles P-C4'-P energy: -78.104
tors. eta vs tors. theta energy: -155.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1800.016696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.016696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.016696 (E_RNA)
where:
Base-Base interactions energy: -1260.194
where: short stacking energy: -522.755
Base-Backbone interact. energy: -1.923
local terms energy: -537.899747
where:
bonds (distance) C4'-P energy: -105.105
bonds (distance) P-C4' energy: -105.820
flat angles C4'-P-C4' energy: -111.273
flat angles P-C4'-P energy: -74.561
tors. eta vs tors. theta energy: -141.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1681.799713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.799713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.799713 (E_RNA)
where:
Base-Base interactions energy: -1178.963
where: short stacking energy: -500.316
Base-Backbone interact. energy: 0.149
local terms energy: -502.985127
where:
bonds (distance) C4'-P energy: -91.598
bonds (distance) P-C4' energy: -91.179
flat angles C4'-P-C4' energy: -110.490
flat angles P-C4'-P energy: -70.689
tors. eta vs tors. theta energy: -139.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1664.789025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.789025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.789025 (E_RNA)
where:
Base-Base interactions energy: -1162.346
where: short stacking energy: -479.385
Base-Backbone interact. energy: -3.434
local terms energy: -499.008581
where:
bonds (distance) C4'-P energy: -91.496
bonds (distance) P-C4' energy: -96.853
flat angles C4'-P-C4' energy: -99.477
flat angles P-C4'-P energy: -78.528
tors. eta vs tors. theta energy: -132.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1538.718369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.718369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.718369 (E_RNA)
where:
Base-Base interactions energy: -1051.775
where: short stacking energy: -449.396
Base-Backbone interact. energy: -0.850
local terms energy: -486.093134
where:
bonds (distance) C4'-P energy: -91.003
bonds (distance) P-C4' energy: -112.508
flat angles C4'-P-C4' energy: -103.796
flat angles P-C4'-P energy: -70.593
tors. eta vs tors. theta energy: -108.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1473.712788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.712788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.712788 (E_RNA)
where:
Base-Base interactions energy: -1014.123
where: short stacking energy: -418.516
Base-Backbone interact. energy: 0.176
local terms energy: -459.766038
where:
bonds (distance) C4'-P energy: -88.706
bonds (distance) P-C4' energy: -85.980
flat angles C4'-P-C4' energy: -96.278
flat angles P-C4'-P energy: -82.333
tors. eta vs tors. theta energy: -106.469
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: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1292.783957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.783957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.783957 (E_RNA)
where:
Base-Base interactions energy: -882.840
where: short stacking energy: -372.658
Base-Backbone interact. energy: 2.753
local terms energy: -412.697231
where:
bonds (distance) C4'-P energy: -87.711
bonds (distance) P-C4' energy: -95.515
flat angles C4'-P-C4' energy: -97.894
flat angles P-C4'-P energy: -45.418
tors. eta vs tors. theta energy: -86.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1274.938690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.938690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.938690 (E_RNA)
where:
Base-Base interactions energy: -879.390
where: short stacking energy: -350.180
Base-Backbone interact. energy: 1.270
local terms energy: -396.818025
where:
bonds (distance) C4'-P energy: -95.384
bonds (distance) P-C4' energy: -94.196
flat angles C4'-P-C4' energy: -86.657
flat angles P-C4'-P energy: -48.391
tors. eta vs tors. theta energy: -72.189
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: 307
Temperature: 1.300000
Total energy: -711.459569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.459569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.459569 (E_RNA)
where:
Base-Base interactions energy: -377.668
where: short stacking energy: -206.193
Base-Backbone interact. energy: 6.802
local terms energy: -340.593697
where:
bonds (distance) C4'-P energy: -91.420
bonds (distance) P-C4' energy: -107.504
flat angles C4'-P-C4' energy: -85.001
flat angles P-C4'-P energy: -44.442
tors. eta vs tors. theta energy: -12.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -660.397772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.397772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.397772 (E_RNA)
where:
Base-Base interactions energy: -362.934
where: short stacking energy: -196.055
Base-Backbone interact. energy: -0.589
local terms energy: -296.874915
where:
bonds (distance) C4'-P energy: -80.630
bonds (distance) P-C4' energy: -80.546
flat angles C4'-P-C4' energy: -83.129
flat angles P-C4'-P energy: -49.179
tors. eta vs tors. theta energy: -3.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1880.968226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.968226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.968226 (E_RNA)
where:
Base-Base interactions energy: -1325.909
where: short stacking energy: -567.148
Base-Backbone interact. energy: -4.111
local terms energy: -550.947943
where:
bonds (distance) C4'-P energy: -95.896
bonds (distance) P-C4' energy: -100.527
flat angles C4'-P-C4' energy: -123.603
flat angles P-C4'-P energy: -72.240
tors. eta vs tors. theta energy: -158.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1780.642326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.642326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.642326 (E_RNA)
where:
Base-Base interactions energy: -1243.890
where: short stacking energy: -499.175
Base-Backbone interact. energy: -2.444
local terms energy: -534.308902
where:
bonds (distance) C4'-P energy: -96.574
bonds (distance) P-C4' energy: -99.092
flat angles C4'-P-C4' energy: -120.223
flat angles P-C4'-P energy: -83.884
tors. eta vs tors. theta energy: -134.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1750.682050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.682050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.682050 (E_RNA)
where:
Base-Base interactions energy: -1237.635
where: short stacking energy: -524.127
Base-Backbone interact. energy: 0.889
local terms energy: -513.936050
where:
bonds (distance) C4'-P energy: -85.928
bonds (distance) P-C4' energy: -98.283
flat angles C4'-P-C4' energy: -117.863
flat angles P-C4'-P energy: -82.203
tors. eta vs tors. theta energy: -129.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1648.229184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.229184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.229184 (E_RNA)
where:
Base-Base interactions energy: -1167.630
where: short stacking energy: -486.119
Base-Backbone interact. energy: -1.504
local terms energy: -479.095814
where:
bonds (distance) C4'-P energy: -97.201
bonds (distance) P-C4' energy: -84.295
flat angles C4'-P-C4' energy: -109.561
flat angles P-C4'-P energy: -62.062
tors. eta vs tors. theta energy: -125.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1556.479128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.479128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.479128 (E_RNA)
where:
Base-Base interactions energy: -1074.247
where: short stacking energy: -441.675
Base-Backbone interact. energy: -0.793
local terms energy: -481.439105
where:
bonds (distance) C4'-P energy: -86.110
bonds (distance) P-C4' energy: -100.135
flat angles C4'-P-C4' energy: -103.768
flat angles P-C4'-P energy: -70.986
tors. eta vs tors. theta energy: -120.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1497.186622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.186622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.186622 (E_RNA)
where:
Base-Base interactions energy: -1046.613
where: short stacking energy: -427.115
Base-Backbone interact. energy: -2.147
local terms energy: -448.426944
where:
bonds (distance) C4'-P energy: -84.655
bonds (distance) P-C4' energy: -95.434
flat angles C4'-P-C4' energy: -103.792
flat angles P-C4'-P energy: -59.341
tors. eta vs tors. theta energy: -105.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1341.855058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.855058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.855058 (E_RNA)
where:
Base-Base interactions energy: -914.974
where: short stacking energy: -381.630
Base-Backbone interact. energy: -2.246
local terms energy: -424.635074
where:
bonds (distance) C4'-P energy: -90.040
bonds (distance) P-C4' energy: -94.178
flat angles C4'-P-C4' energy: -90.627
flat angles P-C4'-P energy: -56.549
tors. eta vs tors. theta energy: -93.242
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: 308
Temperature: 1.250000
Total energy: -1238.700498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.700498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.700498 (E_RNA)
where:
Base-Base interactions energy: -837.097
where: short stacking energy: -361.020
Base-Backbone interact. energy: -1.978
local terms energy: -399.626060
where:
bonds (distance) C4'-P energy: -63.746
bonds (distance) P-C4' energy: -96.394
flat angles C4'-P-C4' energy: -96.091
flat angles P-C4'-P energy: -72.502
tors. eta vs tors. theta energy: -70.893
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: 9
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -737.079033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.079033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.079033 (E_RNA)
where:
Base-Base interactions energy: -408.997
where: short stacking energy: -217.395
Base-Backbone interact. energy: -0.065
local terms energy: -328.017052
where:
bonds (distance) C4'-P energy: -80.623
bonds (distance) P-C4' energy: -97.646
flat angles C4'-P-C4' energy: -70.245
flat angles P-C4'-P energy: -39.136
tors. eta vs tors. theta energy: -40.367
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: 308
Temperature: 1.350000
Total energy: -647.136264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.136264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.136264 (E_RNA)
where:
Base-Base interactions energy: -355.379
where: short stacking energy: -190.700
Base-Backbone interact. energy: 0.427
local terms energy: -292.184211
where:
bonds (distance) C4'-P energy: -80.967
bonds (distance) P-C4' energy: -92.622
flat angles C4'-P-C4' energy: -66.352
flat angles P-C4'-P energy: -41.191
tors. eta vs tors. theta energy: -11.053
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: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1882.801481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.801481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.801481 (E_RNA)
where:
Base-Base interactions energy: -1325.078
where: short stacking energy: -557.019
Base-Backbone interact. energy: -0.545
local terms energy: -557.178309
where:
bonds (distance) C4'-P energy: -112.199
bonds (distance) P-C4' energy: -98.144
flat angles C4'-P-C4' energy: -116.836
flat angles P-C4'-P energy: -76.785
tors. eta vs tors. theta energy: -153.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1757.986904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.986904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.986904 (E_RNA)
where:
Base-Base interactions energy: -1234.774
where: short stacking energy: -495.946
Base-Backbone interact. energy: 0.798
local terms energy: -524.010515
where:
bonds (distance) C4'-P energy: -103.306
bonds (distance) P-C4' energy: -104.854
flat angles C4'-P-C4' energy: -117.679
flat angles P-C4'-P energy: -64.379
tors. eta vs tors. theta energy: -133.793
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: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1735.848028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.848028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.848028 (E_RNA)
where:
Base-Base interactions energy: -1203.109
where: short stacking energy: -499.296
Base-Backbone interact. energy: -2.978
local terms energy: -529.760577
where:
bonds (distance) C4'-P energy: -110.215
bonds (distance) P-C4' energy: -104.813
flat angles C4'-P-C4' energy: -108.913
flat angles P-C4'-P energy: -77.818
tors. eta vs tors. theta energy: -128.002
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: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1597.672790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.672790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.672790 (E_RNA)
where:
Base-Base interactions energy: -1129.566
where: short stacking energy: -471.923
Base-Backbone interact. energy: -2.323
local terms energy: -465.784164
where:
bonds (distance) C4'-P energy: -77.707
bonds (distance) P-C4' energy: -86.584
flat angles C4'-P-C4' energy: -106.830
flat angles P-C4'-P energy: -72.682
tors. eta vs tors. theta energy: -121.981
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: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1545.206739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.206739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.206739 (E_RNA)
where:
Base-Base interactions energy: -1052.638
where: short stacking energy: -423.557
Base-Backbone interact. energy: -0.076
local terms energy: -492.493109
where:
bonds (distance) C4'-P energy: -84.103
bonds (distance) P-C4' energy: -103.803
flat angles C4'-P-C4' energy: -114.767
flat angles P-C4'-P energy: -76.864
tors. eta vs tors. theta energy: -112.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1509.014499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.014499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.014499 (E_RNA)
where:
Base-Base interactions energy: -1036.934
where: short stacking energy: -436.529
Base-Backbone interact. energy: -2.795
local terms energy: -469.284917
where:
bonds (distance) C4'-P energy: -89.486
bonds (distance) P-C4' energy: -98.808
flat angles C4'-P-C4' energy: -105.701
flat angles P-C4'-P energy: -67.218
tors. eta vs tors. theta energy: -108.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1305.388582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.388582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.388582 (E_RNA)
where:
Base-Base interactions energy: -868.592
where: short stacking energy: -385.540
Base-Backbone interact. energy: -2.966
local terms energy: -433.830584
where:
bonds (distance) C4'-P energy: -82.148
bonds (distance) P-C4' energy: -99.017
flat angles C4'-P-C4' energy: -90.435
flat angles P-C4'-P energy: -60.491
tors. eta vs tors. theta energy: -101.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1172.381994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.381994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.381994 (E_RNA)
where:
Base-Base interactions energy: -809.938
where: short stacking energy: -323.288
Base-Backbone interact. energy: -0.689
local terms energy: -361.755505
where:
bonds (distance) C4'-P energy: -78.717
bonds (distance) P-C4' energy: -88.495
flat angles C4'-P-C4' energy: -86.123
flat angles P-C4'-P energy: -59.295
tors. eta vs tors. theta energy: -49.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -784.979155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.979155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.979155 (E_RNA)
where:
Base-Base interactions energy: -457.429
where: short stacking energy: -230.058
Base-Backbone interact. energy: -4.629
local terms energy: -322.920869
where:
bonds (distance) C4'-P energy: -90.541
bonds (distance) P-C4' energy: -85.327
flat angles C4'-P-C4' energy: -65.870
flat angles P-C4'-P energy: -60.335
tors. eta vs tors. theta energy: -20.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -723.774768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.774768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.774768 (E_RNA)
where:
Base-Base interactions energy: -395.019
where: short stacking energy: -217.462
Base-Backbone interact. energy: -0.641
local terms energy: -328.115303
where:
bonds (distance) C4'-P energy: -84.021
bonds (distance) P-C4' energy: -75.231
flat angles C4'-P-C4' energy: -92.268
flat angles P-C4'-P energy: -44.426
tors. eta vs tors. theta energy: -32.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1887.957811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.957811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.957811 (E_RNA)
where:
Base-Base interactions energy: -1340.395
where: short stacking energy: -563.893
Base-Backbone interact. energy: -2.063
local terms energy: -545.500416
where:
bonds (distance) C4'-P energy: -98.445
bonds (distance) P-C4' energy: -104.629
flat angles C4'-P-C4' energy: -117.121
flat angles P-C4'-P energy: -74.778
tors. eta vs tors. theta energy: -150.527
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: 310
Temperature: 0.950000
Total energy: -1791.060275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.060275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.060275 (E_RNA)
where:
Base-Base interactions energy: -1267.044
where: short stacking energy: -505.306
Base-Backbone interact. energy: -5.314
local terms energy: -518.701922
where:
bonds (distance) C4'-P energy: -105.803
bonds (distance) P-C4' energy: -99.983
flat angles C4'-P-C4' energy: -110.072
flat angles P-C4'-P energy: -70.377
tors. eta vs tors. theta energy: -132.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1744.540244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.540244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.540244 (E_RNA)
where:
Base-Base interactions energy: -1225.130
where: short stacking energy: -496.034
Base-Backbone interact. energy: -1.915
local terms energy: -517.496073
where:
bonds (distance) C4'-P energy: -96.850
bonds (distance) P-C4' energy: -96.614
flat angles C4'-P-C4' energy: -119.291
flat angles P-C4'-P energy: -77.377
tors. eta vs tors. theta energy: -127.365
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: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1627.751842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.751842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.751842 (E_RNA)
where:
Base-Base interactions energy: -1122.210
where: short stacking energy: -467.743
Base-Backbone interact. energy: -1.619
local terms energy: -503.922656
where:
bonds (distance) C4'-P energy: -89.838
bonds (distance) P-C4' energy: -97.300
flat angles C4'-P-C4' energy: -117.882
flat angles P-C4'-P energy: -78.596
tors. eta vs tors. theta energy: -120.307
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: 6
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1576.773641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.773641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.773641 (E_RNA)
where:
Base-Base interactions energy: -1083.208
where: short stacking energy: -449.584
Base-Backbone interact. energy: -1.947
local terms energy: -491.618679
where:
bonds (distance) C4'-P energy: -89.560
bonds (distance) P-C4' energy: -92.680
flat angles C4'-P-C4' energy: -107.229
flat angles P-C4'-P energy: -70.462
tors. eta vs tors. theta energy: -131.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1488.231377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.231377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.231377 (E_RNA)
where:
Base-Base interactions energy: -1018.769
where: short stacking energy: -417.601
Base-Backbone interact. energy: -2.420
local terms energy: -467.042525
where:
bonds (distance) C4'-P energy: -85.219
bonds (distance) P-C4' energy: -85.683
flat angles C4'-P-C4' energy: -112.994
flat angles P-C4'-P energy: -71.642
tors. eta vs tors. theta energy: -111.503
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: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1286.792494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.792494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.792494 (E_RNA)
where:
Base-Base interactions energy: -895.176
where: short stacking energy: -367.418
Base-Backbone interact. energy: -0.712
local terms energy: -390.904343
where:
bonds (distance) C4'-P energy: -78.121
bonds (distance) P-C4' energy: -85.765
flat angles C4'-P-C4' energy: -82.905
flat angles P-C4'-P energy: -57.883
tors. eta vs tors. theta energy: -86.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1164.698750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.698750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.698750 (E_RNA)
where:
Base-Base interactions energy: -773.518
where: short stacking energy: -328.312
Base-Backbone interact. energy: 2.336
local terms energy: -393.517108
where:
bonds (distance) C4'-P energy: -88.759
bonds (distance) P-C4' energy: -80.708
flat angles C4'-P-C4' energy: -87.517
flat angles P-C4'-P energy: -68.452
tors. eta vs tors. theta energy: -68.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -802.240560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.240560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.240560 (E_RNA)
where:
Base-Base interactions energy: -489.741
where: short stacking energy: -226.090
Base-Backbone interact. energy: -2.511
local terms energy: -309.988862
where:
bonds (distance) C4'-P energy: -87.837
bonds (distance) P-C4' energy: -72.827
flat angles C4'-P-C4' energy: -83.361
flat angles P-C4'-P energy: -44.492
tors. eta vs tors. theta energy: -21.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -623.996977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.996977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.996977 (E_RNA)
where:
Base-Base interactions energy: -354.976
where: short stacking energy: -182.455
Base-Backbone interact. energy: 1.466
local terms energy: -270.487141
where:
bonds (distance) C4'-P energy: -75.336
bonds (distance) P-C4' energy: -72.517
flat angles C4'-P-C4' energy: -80.383
flat angles P-C4'-P energy: -40.817
tors. eta vs tors. theta energy: -1.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1882.877465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.877465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.877465 (E_RNA)
where:
Base-Base interactions energy: -1317.844
where: short stacking energy: -531.273
Base-Backbone interact. energy: -1.353
local terms energy: -563.680406
where:
bonds (distance) C4'-P energy: -109.856
bonds (distance) P-C4' energy: -111.084
flat angles C4'-P-C4' energy: -120.604
flat angles P-C4'-P energy: -79.206
tors. eta vs tors. theta energy: -142.930
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: 311
Temperature: 0.950000
Total energy: -1822.550890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.550890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.550890 (E_RNA)
where:
Base-Base interactions energy: -1297.370
where: short stacking energy: -512.099
Base-Backbone interact. energy: -0.922
local terms energy: -524.258830
where:
bonds (distance) C4'-P energy: -96.785
bonds (distance) P-C4' energy: -93.308
flat angles C4'-P-C4' energy: -116.711
flat angles P-C4'-P energy: -79.752
tors. eta vs tors. theta energy: -137.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1694.584710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.584710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.584710 (E_RNA)
where:
Base-Base interactions energy: -1180.893
where: short stacking energy: -478.517
Base-Backbone interact. energy: -0.891
local terms energy: -512.800415
where:
bonds (distance) C4'-P energy: -94.698
bonds (distance) P-C4' energy: -98.750
flat angles C4'-P-C4' energy: -110.141
flat angles P-C4'-P energy: -73.379
tors. eta vs tors. theta energy: -135.833
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: 6
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1617.491907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.491907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.491907 (E_RNA)
where:
Base-Base interactions energy: -1093.112
where: short stacking energy: -480.868
Base-Backbone interact. energy: -2.393
local terms energy: -521.986838
where:
bonds (distance) C4'-P energy: -83.021
bonds (distance) P-C4' energy: -97.957
flat angles C4'-P-C4' energy: -124.138
flat angles P-C4'-P energy: -84.225
tors. eta vs tors. theta energy: -132.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1536.022354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.022354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.022354 (E_RNA)
where:
Base-Base interactions energy: -1069.201
where: short stacking energy: -442.193
Base-Backbone interact. energy: -0.501
local terms energy: -466.320301
where:
bonds (distance) C4'-P energy: -85.101
bonds (distance) P-C4' energy: -101.629
flat angles C4'-P-C4' energy: -114.306
flat angles P-C4'-P energy: -72.285
tors. eta vs tors. theta energy: -92.999
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: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1493.709303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.709303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.709303 (E_RNA)
where:
Base-Base interactions energy: -1049.160
where: short stacking energy: -430.596
Base-Backbone interact. energy: -2.408
local terms energy: -442.141223
where:
bonds (distance) C4'-P energy: -82.001
bonds (distance) P-C4' energy: -76.875
flat angles C4'-P-C4' energy: -109.938
flat angles P-C4'-P energy: -65.718
tors. eta vs tors. theta energy: -107.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1301.924591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.924591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.924591 (E_RNA)
where:
Base-Base interactions energy: -871.980
where: short stacking energy: -380.090
Base-Backbone interact. energy: 0.549
local terms energy: -430.493909
where:
bonds (distance) C4'-P energy: -85.478
bonds (distance) P-C4' energy: -98.092
flat angles C4'-P-C4' energy: -89.060
flat angles P-C4'-P energy: -64.117
tors. eta vs tors. theta energy: -93.746
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: 7
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1127.280242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.280242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.280242 (E_RNA)
where:
Base-Base interactions energy: -768.841
where: short stacking energy: -296.455
Base-Backbone interact. energy: 1.114
local terms energy: -359.553470
where:
bonds (distance) C4'-P energy: -82.349
bonds (distance) P-C4' energy: -87.287
flat angles C4'-P-C4' energy: -88.530
flat angles P-C4'-P energy: -52.942
tors. eta vs tors. theta energy: -48.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -765.293945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.293945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.293945 (E_RNA)
where:
Base-Base interactions energy: -456.685
where: short stacking energy: -243.892
Base-Backbone interact. energy: -1.599
local terms energy: -307.010205
where:
bonds (distance) C4'-P energy: -82.558
bonds (distance) P-C4' energy: -87.292
flat angles C4'-P-C4' energy: -62.788
flat angles P-C4'-P energy: -57.706
tors. eta vs tors. theta energy: -16.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -654.190957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.190957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.190957 (E_RNA)
where:
Base-Base interactions energy: -357.172
where: short stacking energy: -211.871
Base-Backbone interact. energy: -0.901
local terms energy: -296.118051
where:
bonds (distance) C4'-P energy: -67.042
bonds (distance) P-C4' energy: -78.349
flat angles C4'-P-C4' energy: -76.217
flat angles P-C4'-P energy: -53.320
tors. eta vs tors. theta energy: -21.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1893.895856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.895856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.895856 (E_RNA)
where:
Base-Base interactions energy: -1347.982
where: short stacking energy: -559.328
Base-Backbone interact. energy: 0.152
local terms energy: -546.066097
where:
bonds (distance) C4'-P energy: -92.252
bonds (distance) P-C4' energy: -89.988
flat angles C4'-P-C4' energy: -124.314
flat angles P-C4'-P energy: -81.010
tors. eta vs tors. theta energy: -158.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1784.005473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.005473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.005473 (E_RNA)
where:
Base-Base interactions energy: -1276.381
where: short stacking energy: -523.281
Base-Backbone interact. energy: 2.656
local terms energy: -510.280143
where:
bonds (distance) C4'-P energy: -87.278
bonds (distance) P-C4' energy: -94.150
flat angles C4'-P-C4' energy: -120.276
flat angles P-C4'-P energy: -66.075
tors. eta vs tors. theta energy: -142.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1688.541528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.541528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.541528 (E_RNA)
where:
Base-Base interactions energy: -1195.241
where: short stacking energy: -484.768
Base-Backbone interact. energy: -2.204
local terms energy: -491.097123
where:
bonds (distance) C4'-P energy: -95.483
bonds (distance) P-C4' energy: -92.888
flat angles C4'-P-C4' energy: -104.420
flat angles P-C4'-P energy: -80.718
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: 4, replica: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1645.394948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.394948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.394948 (E_RNA)
where:
Base-Base interactions energy: -1140.272
where: short stacking energy: -476.444
Base-Backbone interact. energy: -1.951
local terms energy: -503.172364
where:
bonds (distance) C4'-P energy: -102.617
bonds (distance) P-C4' energy: -98.274
flat angles C4'-P-C4' energy: -99.017
flat angles P-C4'-P energy: -66.401
tors. eta vs tors. theta energy: -136.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1535.826896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.826896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.826896 (E_RNA)
where:
Base-Base interactions energy: -1076.673
where: short stacking energy: -467.693
Base-Backbone interact. energy: -1.641
local terms energy: -457.513109
where:
bonds (distance) C4'-P energy: -92.392
bonds (distance) P-C4' energy: -67.892
flat angles C4'-P-C4' energy: -115.858
flat angles P-C4'-P energy: -55.737
tors. eta vs tors. theta energy: -125.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1479.173960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.173960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.173960 (E_RNA)
where:
Base-Base interactions energy: -1053.280
where: short stacking energy: -424.633
Base-Backbone interact. energy: 4.507
local terms energy: -430.400340
where:
bonds (distance) C4'-P energy: -80.020
bonds (distance) P-C4' energy: -87.465
flat angles C4'-P-C4' energy: -102.737
flat angles P-C4'-P energy: -61.575
tors. eta vs tors. theta energy: -98.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1339.058447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.058447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.058447 (E_RNA)
where:
Base-Base interactions energy: -905.693
where: short stacking energy: -400.913
Base-Backbone interact. energy: -0.675
local terms energy: -432.691022
where:
bonds (distance) C4'-P energy: -85.225
bonds (distance) P-C4' energy: -96.169
flat angles C4'-P-C4' energy: -97.998
flat angles P-C4'-P energy: -59.658
tors. eta vs tors. theta energy: -93.641
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: 7
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1173.611823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.611823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.611823 (E_RNA)
where:
Base-Base interactions energy: -777.888
where: short stacking energy: -337.874
Base-Backbone interact. energy: -0.803
local terms energy: -394.920791
where:
bonds (distance) C4'-P energy: -83.120
bonds (distance) P-C4' energy: -83.503
flat angles C4'-P-C4' energy: -83.549
flat angles P-C4'-P energy: -65.632
tors. eta vs tors. theta energy: -79.117
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: 10
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -714.848153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.848153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.848153 (E_RNA)
where:
Base-Base interactions energy: -395.768
where: short stacking energy: -214.399
Base-Backbone interact. energy: 1.286
local terms energy: -320.365848
where:
bonds (distance) C4'-P energy: -72.872
bonds (distance) P-C4' energy: -86.440
flat angles C4'-P-C4' energy: -89.342
flat angles P-C4'-P energy: -39.128
tors. eta vs tors. theta energy: -32.583
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: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -692.777834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.777834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.777834 (E_RNA)
where:
Base-Base interactions energy: -405.142
where: short stacking energy: -205.869
Base-Backbone interact. energy: -0.556
local terms energy: -287.079816
where:
bonds (distance) C4'-P energy: -78.067
bonds (distance) P-C4' energy: -82.379
flat angles C4'-P-C4' energy: -69.154
flat angles P-C4'-P energy: -55.704
tors. eta vs tors. theta energy: -1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1905.557499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.557499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.557499 (E_RNA)
where:
Base-Base interactions energy: -1337.856
where: short stacking energy: -546.868
Base-Backbone interact. energy: 0.517
local terms energy: -568.218826
where:
bonds (distance) C4'-P energy: -103.736
bonds (distance) P-C4' energy: -104.797
flat angles C4'-P-C4' energy: -124.626
flat angles P-C4'-P energy: -78.724
tors. eta vs tors. theta energy: -156.336
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: 313
Temperature: 0.950000
Total energy: -1778.954963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.954963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.954963 (E_RNA)
where:
Base-Base interactions energy: -1264.521
where: short stacking energy: -516.312
Base-Backbone interact. energy: -0.835
local terms energy: -513.599211
where:
bonds (distance) C4'-P energy: -99.570
bonds (distance) P-C4' energy: -84.996
flat angles C4'-P-C4' energy: -109.408
flat angles P-C4'-P energy: -77.947
tors. eta vs tors. theta energy: -141.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1723.678164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.678164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.678164 (E_RNA)
where:
Base-Base interactions energy: -1219.058
where: short stacking energy: -496.801
Base-Backbone interact. energy: 2.354
local terms energy: -506.973939
where:
bonds (distance) C4'-P energy: -81.399
bonds (distance) P-C4' energy: -103.351
flat angles C4'-P-C4' energy: -105.548
flat angles P-C4'-P energy: -83.667
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: 4, replica: 6
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1616.188697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.188697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.188697 (E_RNA)
where:
Base-Base interactions energy: -1094.144
where: short stacking energy: -454.260
Base-Backbone interact. energy: -1.705
local terms energy: -520.339879
where:
bonds (distance) C4'-P energy: -102.580
bonds (distance) P-C4' energy: -106.188
flat angles C4'-P-C4' energy: -103.947
flat angles P-C4'-P energy: -74.914
tors. eta vs tors. theta energy: -132.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1602.337004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.337004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.337004 (E_RNA)
where:
Base-Base interactions energy: -1124.584
where: short stacking energy: -467.944
Base-Backbone interact. energy: 2.714
local terms energy: -480.467609
where:
bonds (distance) C4'-P energy: -84.591
bonds (distance) P-C4' energy: -86.676
flat angles C4'-P-C4' energy: -119.866
flat angles P-C4'-P energy: -59.054
tors. eta vs tors. theta energy: -130.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1466.741542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.741542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.741542 (E_RNA)
where:
Base-Base interactions energy: -1032.092
where: short stacking energy: -431.519
Base-Backbone interact. energy: 1.178
local terms energy: -435.827681
where:
bonds (distance) C4'-P energy: -73.117
bonds (distance) P-C4' energy: -95.531
flat angles C4'-P-C4' energy: -107.751
flat angles P-C4'-P energy: -49.394
tors. eta vs tors. theta energy: -110.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1287.372315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.372315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.372315 (E_RNA)
where:
Base-Base interactions energy: -884.426
where: short stacking energy: -392.699
Base-Backbone interact. energy: -1.207
local terms energy: -401.738842
where:
bonds (distance) C4'-P energy: -89.378
bonds (distance) P-C4' energy: -79.112
flat angles C4'-P-C4' energy: -92.313
flat angles P-C4'-P energy: -44.073
tors. eta vs tors. theta energy: -96.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1092.376815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.376815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.376815 (E_RNA)
where:
Base-Base interactions energy: -715.126
where: short stacking energy: -318.635
Base-Backbone interact. energy: -2.001
local terms energy: -375.249738
where:
bonds (distance) C4'-P energy: -90.510
bonds (distance) P-C4' energy: -89.818
flat angles C4'-P-C4' energy: -86.322
flat angles P-C4'-P energy: -60.872
tors. eta vs tors. theta energy: -47.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -671.671998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.671998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.671998 (E_RNA)
where:
Base-Base interactions energy: -349.689
where: short stacking energy: -188.823
Base-Backbone interact. energy: -2.807
local terms energy: -319.176714
where:
bonds (distance) C4'-P energy: -76.231
bonds (distance) P-C4' energy: -96.000
flat angles C4'-P-C4' energy: -85.767
flat angles P-C4'-P energy: -55.849
tors. eta vs tors. theta energy: -5.329
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: 9
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -691.779828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.779828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.779828 (E_RNA)
where:
Base-Base interactions energy: -372.171
where: short stacking energy: -180.713
Base-Backbone interact. energy: 3.896
local terms energy: -323.505501
where:
bonds (distance) C4'-P energy: -91.469
bonds (distance) P-C4' energy: -97.874
flat angles C4'-P-C4' energy: -82.169
flat angles P-C4'-P energy: -41.770
tors. eta vs tors. theta energy: -10.224
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: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1888.126260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.126260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.126260 (E_RNA)
where:
Base-Base interactions energy: -1330.880
where: short stacking energy: -563.314
Base-Backbone interact. energy: -0.517
local terms energy: -556.729183
where:
bonds (distance) C4'-P energy: -89.486
bonds (distance) P-C4' energy: -99.447
flat angles C4'-P-C4' energy: -123.719
flat angles P-C4'-P energy: -86.858
tors. eta vs tors. theta energy: -157.219
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: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1782.259676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.259676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.259676 (E_RNA)
where:
Base-Base interactions energy: -1248.755
where: short stacking energy: -517.748
Base-Backbone interact. energy: 1.001
local terms energy: -534.505316
where:
bonds (distance) C4'-P energy: -89.364
bonds (distance) P-C4' energy: -94.076
flat angles C4'-P-C4' energy: -116.241
flat angles P-C4'-P energy: -94.453
tors. eta vs tors. theta energy: -140.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1712.887895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.887895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.887895 (E_RNA)
where:
Base-Base interactions energy: -1203.428
where: short stacking energy: -491.249
Base-Backbone interact. energy: -3.438
local terms energy: -506.021757
where:
bonds (distance) C4'-P energy: -93.081
bonds (distance) P-C4' energy: -99.832
flat angles C4'-P-C4' energy: -98.801
flat angles P-C4'-P energy: -77.862
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: 4, replica: 6
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1606.060490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.060490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.060490 (E_RNA)
where:
Base-Base interactions energy: -1117.603
where: short stacking energy: -497.741
Base-Backbone interact. energy: 2.397
local terms energy: -490.854726
where:
bonds (distance) C4'-P energy: -91.558
bonds (distance) P-C4' energy: -79.871
flat angles C4'-P-C4' energy: -112.963
flat angles P-C4'-P energy: -71.559
tors. eta vs tors. theta energy: -134.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1571.708085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.708085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.708085 (E_RNA)
where:
Base-Base interactions energy: -1106.316
where: short stacking energy: -460.059
Base-Backbone interact. energy: -0.474
local terms energy: -464.917926
where:
bonds (distance) C4'-P energy: -77.714
bonds (distance) P-C4' energy: -90.567
flat angles C4'-P-C4' energy: -99.733
flat angles P-C4'-P energy: -67.202
tors. eta vs tors. theta energy: -129.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1460.579182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.579182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.579182 (E_RNA)
where:
Base-Base interactions energy: -1029.068
where: short stacking energy: -433.709
Base-Backbone interact. energy: -1.239
local terms energy: -430.272594
where:
bonds (distance) C4'-P energy: -82.046
bonds (distance) P-C4' energy: -81.092
flat angles C4'-P-C4' energy: -92.022
flat angles P-C4'-P energy: -60.621
tors. eta vs tors. theta energy: -114.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1345.706808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.706808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.706808 (E_RNA)
where:
Base-Base interactions energy: -934.129
where: short stacking energy: -403.309
Base-Backbone interact. energy: -0.558
local terms energy: -411.018998
where:
bonds (distance) C4'-P energy: -83.908
bonds (distance) P-C4' energy: -85.242
flat angles C4'-P-C4' energy: -94.503
flat angles P-C4'-P energy: -51.263
tors. eta vs tors. theta energy: -96.102
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: 8, replica: 7
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1088.218445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.218445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.218445 (E_RNA)
where:
Base-Base interactions energy: -702.609
where: short stacking energy: -299.089
Base-Backbone interact. energy: -4.180
local terms energy: -381.429223
where:
bonds (distance) C4'-P energy: -87.186
bonds (distance) P-C4' energy: -97.248
flat angles C4'-P-C4' energy: -89.836
flat angles P-C4'-P energy: -53.465
tors. eta vs tors. theta energy: -53.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -718.190613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.190613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.190613 (E_RNA)
where:
Base-Base interactions energy: -380.525
where: short stacking energy: -207.112
Base-Backbone interact. energy: 0.996
local terms energy: -338.661059
where:
bonds (distance) C4'-P energy: -81.744
bonds (distance) P-C4' energy: -99.344
flat angles C4'-P-C4' energy: -98.896
flat angles P-C4'-P energy: -41.973
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: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -669.208905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.208905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.208905 (E_RNA)
where:
Base-Base interactions energy: -342.478
where: short stacking energy: -184.692
Base-Backbone interact. energy: -1.567
local terms energy: -325.164008
where:
bonds (distance) C4'-P energy: -90.083
bonds (distance) P-C4' energy: -84.828
flat angles C4'-P-C4' energy: -89.122
flat angles P-C4'-P energy: -54.663
tors. eta vs tors. theta energy: -6.468
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: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1890.836328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.836328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.836328 (E_RNA)
where:
Base-Base interactions energy: -1348.374
where: short stacking energy: -536.788
Base-Backbone interact. energy: -1.563
local terms energy: -540.899657
where:
bonds (distance) C4'-P energy: -110.609
bonds (distance) P-C4' energy: -92.403
flat angles C4'-P-C4' energy: -108.722
flat angles P-C4'-P energy: -81.942
tors. eta vs tors. theta energy: -147.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1770.911038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.911038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.911038 (E_RNA)
where:
Base-Base interactions energy: -1240.340
where: short stacking energy: -519.095
Base-Backbone interact. energy: -2.909
local terms energy: -527.662002
where:
bonds (distance) C4'-P energy: -107.106
bonds (distance) P-C4' energy: -95.846
flat angles C4'-P-C4' energy: -114.880
flat angles P-C4'-P energy: -68.050
tors. eta vs tors. theta energy: -141.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1740.403185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.403185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.403185 (E_RNA)
where:
Base-Base interactions energy: -1218.904
where: short stacking energy: -508.883
Base-Backbone interact. energy: 1.084
local terms energy: -522.582969
where:
bonds (distance) C4'-P energy: -99.950
bonds (distance) P-C4' energy: -97.753
flat angles C4'-P-C4' energy: -117.820
flat angles P-C4'-P energy: -72.567
tors. eta vs tors. theta energy: -134.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1644.122321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.122321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.122321 (E_RNA)
where:
Base-Base interactions energy: -1108.914
where: short stacking energy: -491.812
Base-Backbone interact. energy: -0.941
local terms energy: -534.267358
where:
bonds (distance) C4'-P energy: -100.006
bonds (distance) P-C4' energy: -93.200
flat angles C4'-P-C4' energy: -115.217
flat angles P-C4'-P energy: -73.030
tors. eta vs tors. theta energy: -152.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1564.742371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.742371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.742371 (E_RNA)
where:
Base-Base interactions energy: -1063.959
where: short stacking energy: -466.593
Base-Backbone interact. energy: -2.266
local terms energy: -498.517871
where:
bonds (distance) C4'-P energy: -86.928
bonds (distance) P-C4' energy: -98.469
flat angles C4'-P-C4' energy: -113.660
flat angles P-C4'-P energy: -75.450
tors. eta vs tors. theta energy: -124.011
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: 6, replica: 4
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1413.369999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.369999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.369999 (E_RNA)
where:
Base-Base interactions energy: -968.786
where: short stacking energy: -400.890
Base-Backbone interact. energy: -1.589
local terms energy: -442.994842
where:
bonds (distance) C4'-P energy: -87.603
bonds (distance) P-C4' energy: -91.604
flat angles C4'-P-C4' energy: -110.287
flat angles P-C4'-P energy: -58.541
tors. eta vs tors. theta energy: -94.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1315.516589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.516589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.516589 (E_RNA)
where:
Base-Base interactions energy: -886.109
where: short stacking energy: -393.328
Base-Backbone interact. energy: -0.903
local terms energy: -428.504075
where:
bonds (distance) C4'-P energy: -89.915
bonds (distance) P-C4' energy: -88.065
flat angles C4'-P-C4' energy: -102.550
flat angles P-C4'-P energy: -59.464
tors. eta vs tors. theta energy: -88.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1056.731639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.731639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.731639 (E_RNA)
where:
Base-Base interactions energy: -714.449
where: short stacking energy: -310.131
Base-Backbone interact. energy: -0.193
local terms energy: -342.089345
where:
bonds (distance) C4'-P energy: -54.064
bonds (distance) P-C4' energy: -98.532
flat angles C4'-P-C4' energy: -83.175
flat angles P-C4'-P energy: -41.777
tors. eta vs tors. theta energy: -64.543
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: 9
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -723.635535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.635535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.635535 (E_RNA)
where:
Base-Base interactions energy: -398.925
where: short stacking energy: -223.497
Base-Backbone interact. energy: -1.798
local terms energy: -322.912976
where:
bonds (distance) C4'-P energy: -79.103
bonds (distance) P-C4' energy: -92.489
flat angles C4'-P-C4' energy: -83.897
flat angles P-C4'-P energy: -45.362
tors. eta vs tors. theta energy: -22.062
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: 315
Temperature: 1.350000
Total energy: -651.208602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.208602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.208602 (E_RNA)
where:
Base-Base interactions energy: -344.429
where: short stacking energy: -186.408
Base-Backbone interact. energy: 0.627
local terms energy: -307.406817
where:
bonds (distance) C4'-P energy: -84.203
bonds (distance) P-C4' energy: -91.801
flat angles C4'-P-C4' energy: -80.384
flat angles P-C4'-P energy: -45.575
tors. eta vs tors. theta energy: -5.444
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: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1884.326804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.326804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.326804 (E_RNA)
where:
Base-Base interactions energy: -1327.007
where: short stacking energy: -536.599
Base-Backbone interact. energy: -2.320
local terms energy: -554.999623
where:
bonds (distance) C4'-P energy: -107.938
bonds (distance) P-C4' energy: -101.802
flat angles C4'-P-C4' energy: -121.727
flat angles P-C4'-P energy: -76.449
tors. eta vs tors. theta energy: -147.083
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: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1752.426431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.426431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.426431 (E_RNA)
where:
Base-Base interactions energy: -1229.299
where: short stacking energy: -495.986
Base-Backbone interact. energy: -0.273
local terms energy: -522.854308
where:
bonds (distance) C4'-P energy: -92.560
bonds (distance) P-C4' energy: -104.289
flat angles C4'-P-C4' energy: -113.156
flat angles P-C4'-P energy: -75.977
tors. eta vs tors. theta energy: -136.872
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: 3
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1732.833713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.833713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.833713 (E_RNA)
where:
Base-Base interactions energy: -1217.253
where: short stacking energy: -518.961
Base-Backbone interact. energy: -1.788
local terms energy: -513.792718
where:
bonds (distance) C4'-P energy: -78.966
bonds (distance) P-C4' energy: -106.644
flat angles C4'-P-C4' energy: -113.483
flat angles P-C4'-P energy: -76.211
tors. eta vs tors. theta energy: -138.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1642.873213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.873213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.873213 (E_RNA)
where:
Base-Base interactions energy: -1140.154
where: short stacking energy: -476.354
Base-Backbone interact. energy: -1.659
local terms energy: -501.060499
where:
bonds (distance) C4'-P energy: -88.519
bonds (distance) P-C4' energy: -93.040
flat angles C4'-P-C4' energy: -108.292
flat angles P-C4'-P energy: -64.226
tors. eta vs tors. theta energy: -146.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1554.006647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.006647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.006647 (E_RNA)
where:
Base-Base interactions energy: -1073.022
where: short stacking energy: -419.418
Base-Backbone interact. energy: 1.403
local terms energy: -482.388074
where:
bonds (distance) C4'-P energy: -95.746
bonds (distance) P-C4' energy: -85.868
flat angles C4'-P-C4' energy: -109.324
flat angles P-C4'-P energy: -71.875
tors. eta vs tors. theta energy: -119.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1499.702174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.702174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.702174 (E_RNA)
where:
Base-Base interactions energy: -1006.577
where: short stacking energy: -438.057
Base-Backbone interact. energy: 1.723
local terms energy: -494.849101
where:
bonds (distance) C4'-P energy: -93.182
bonds (distance) P-C4' energy: -103.540
flat angles C4'-P-C4' energy: -103.954
flat angles P-C4'-P energy: -77.165
tors. eta vs tors. theta energy: -117.007
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: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1263.859350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.859350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.859350 (E_RNA)
where:
Base-Base interactions energy: -844.035
where: short stacking energy: -357.771
Base-Backbone interact. energy: -1.132
local terms energy: -418.692363
where:
bonds (distance) C4'-P energy: -76.881
bonds (distance) P-C4' energy: -101.379
flat angles C4'-P-C4' energy: -85.607
flat angles P-C4'-P energy: -66.855
tors. eta vs tors. theta energy: -87.971
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: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1113.323964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.323964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.323964 (E_RNA)
where:
Base-Base interactions energy: -741.426
where: short stacking energy: -301.238
Base-Backbone interact. energy: -3.699
local terms energy: -368.199591
where:
bonds (distance) C4'-P energy: -78.139
bonds (distance) P-C4' energy: -94.160
flat angles C4'-P-C4' energy: -92.568
flat angles P-C4'-P energy: -59.285
tors. eta vs tors. theta energy: -44.049
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: 9, replica: 9
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -716.705064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.705064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.705064 (E_RNA)
where:
Base-Base interactions energy: -392.652
where: short stacking energy: -176.192
Base-Backbone interact. energy: -1.220
local terms energy: -322.833470
where:
bonds (distance) C4'-P energy: -82.705
bonds (distance) P-C4' energy: -92.812
flat angles C4'-P-C4' energy: -81.721
flat angles P-C4'-P energy: -53.974
tors. eta vs tors. theta energy: -11.621
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: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -664.917242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.917242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.917242 (E_RNA)
where:
Base-Base interactions energy: -357.498
where: short stacking energy: -185.061
Base-Backbone interact. energy: 0.817
local terms energy: -308.236279
where:
bonds (distance) C4'-P energy: -94.724
bonds (distance) P-C4' energy: -90.407
flat angles C4'-P-C4' energy: -65.242
flat angles P-C4'-P energy: -50.294
tors. eta vs tors. theta energy: -7.570
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: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1881.166557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.166557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.166557 (E_RNA)
where:
Base-Base interactions energy: -1325.255
where: short stacking energy: -515.926
Base-Backbone interact. energy: -1.857
local terms energy: -554.054494
where:
bonds (distance) C4'-P energy: -112.391
bonds (distance) P-C4' energy: -92.725
flat angles C4'-P-C4' energy: -119.388
flat angles P-C4'-P energy: -78.571
tors. eta vs tors. theta energy: -150.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1782.953322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.953322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.953322 (E_RNA)
where:
Base-Base interactions energy: -1255.598
where: short stacking energy: -512.652
Base-Backbone interact. energy: 0.673
local terms energy: -528.027778
where:
bonds (distance) C4'-P energy: -106.444
bonds (distance) P-C4' energy: -102.393
flat angles C4'-P-C4' energy: -115.580
flat angles P-C4'-P energy: -75.377
tors. eta vs tors. theta energy: -128.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1751.322355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.322355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.322355 (E_RNA)
where:
Base-Base interactions energy: -1230.594
where: short stacking energy: -496.494
Base-Backbone interact. energy: -3.814
local terms energy: -516.914651
where:
bonds (distance) C4'-P energy: -98.053
bonds (distance) P-C4' energy: -93.463
flat angles C4'-P-C4' energy: -103.121
flat angles P-C4'-P energy: -84.307
tors. eta vs tors. theta energy: -137.970
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: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1647.667071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.667071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.667071 (E_RNA)
where:
Base-Base interactions energy: -1137.223
where: short stacking energy: -483.423
Base-Backbone interact. energy: -1.487
local terms energy: -508.956967
where:
bonds (distance) C4'-P energy: -89.312
bonds (distance) P-C4' energy: -89.643
flat angles C4'-P-C4' energy: -110.738
flat angles P-C4'-P energy: -78.696
tors. eta vs tors. theta energy: -140.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1555.772380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.772380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.772380 (E_RNA)
where:
Base-Base interactions energy: -1089.573
where: short stacking energy: -458.735
Base-Backbone interact. energy: 3.027
local terms energy: -469.226942
where:
bonds (distance) C4'-P energy: -92.267
bonds (distance) P-C4' energy: -95.980
flat angles C4'-P-C4' energy: -105.058
flat angles P-C4'-P energy: -55.493
tors. eta vs tors. theta energy: -120.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1466.645063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.645063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.645063 (E_RNA)
where:
Base-Base interactions energy: -1016.863
where: short stacking energy: -426.559
Base-Backbone interact. energy: 2.048
local terms energy: -451.829931
where:
bonds (distance) C4'-P energy: -88.222
bonds (distance) P-C4' energy: -82.912
flat angles C4'-P-C4' energy: -104.335
flat angles P-C4'-P energy: -68.455
tors. eta vs tors. theta energy: -107.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1226.933401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.933401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.933401 (E_RNA)
where:
Base-Base interactions energy: -801.604
where: short stacking energy: -347.110
Base-Backbone interact. energy: 2.467
local terms energy: -427.797031
where:
bonds (distance) C4'-P energy: -84.818
bonds (distance) P-C4' energy: -102.186
flat angles C4'-P-C4' energy: -91.753
flat angles P-C4'-P energy: -66.194
tors. eta vs tors. theta energy: -82.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1117.852965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.852965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.852965 (E_RNA)
where:
Base-Base interactions energy: -753.350
where: short stacking energy: -314.877
Base-Backbone interact. energy: -0.545
local terms energy: -363.958388
where:
bonds (distance) C4'-P energy: -80.686
bonds (distance) P-C4' energy: -92.075
flat angles C4'-P-C4' energy: -90.058
flat angles P-C4'-P energy: -45.418
tors. eta vs tors. theta energy: -55.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -745.685286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.685286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.685286 (E_RNA)
where:
Base-Base interactions energy: -428.749
where: short stacking energy: -207.543
Base-Backbone interact. energy: 4.695
local terms energy: -321.631900
where:
bonds (distance) C4'-P energy: -78.194
bonds (distance) P-C4' energy: -96.165
flat angles C4'-P-C4' energy: -95.644
flat angles P-C4'-P energy: -38.250
tors. eta vs tors. theta energy: -13.379
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: 317
Temperature: 1.350000
Total energy: -625.737618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.737618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.737618 (E_RNA)
where:
Base-Base interactions energy: -327.405
where: short stacking energy: -182.307
Base-Backbone interact. energy: -0.752
local terms energy: -297.580188
where:
bonds (distance) C4'-P energy: -84.109
bonds (distance) P-C4' energy: -89.807
flat angles C4'-P-C4' energy: -68.282
flat angles P-C4'-P energy: -43.597
tors. eta vs tors. theta energy: -11.785
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: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1891.979616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.979616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.979616 (E_RNA)
where:
Base-Base interactions energy: -1340.889
where: short stacking energy: -537.538
Base-Backbone interact. energy: -3.099
local terms energy: -547.992164
where:
bonds (distance) C4'-P energy: -100.665
bonds (distance) P-C4' energy: -100.949
flat angles C4'-P-C4' energy: -122.634
flat angles P-C4'-P energy: -76.277
tors. eta vs tors. theta energy: -147.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1787.546118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.546118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.546118 (E_RNA)
where:
Base-Base interactions energy: -1259.694
where: short stacking energy: -506.355
Base-Backbone interact. energy: 2.108
local terms energy: -529.960553
where:
bonds (distance) C4'-P energy: -102.896
bonds (distance) P-C4' energy: -113.094
flat angles C4'-P-C4' energy: -114.484
flat angles P-C4'-P energy: -67.361
tors. eta vs tors. theta energy: -132.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1718.245070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.245070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.245070 (E_RNA)
where:
Base-Base interactions energy: -1206.163
where: short stacking energy: -508.299
Base-Backbone interact. energy: -0.878
local terms energy: -511.203976
where:
bonds (distance) C4'-P energy: -83.568
bonds (distance) P-C4' energy: -96.343
flat angles C4'-P-C4' energy: -114.858
flat angles P-C4'-P energy: -77.178
tors. eta vs tors. theta energy: -139.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1675.134894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.134894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.134894 (E_RNA)
where:
Base-Base interactions energy: -1144.524
where: short stacking energy: -483.162
Base-Backbone interact. energy: -2.331
local terms energy: -528.280078
where:
bonds (distance) C4'-P energy: -92.711
bonds (distance) P-C4' energy: -98.352
flat angles C4'-P-C4' energy: -111.980
flat angles P-C4'-P energy: -77.881
tors. eta vs tors. theta energy: -147.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1540.242742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.242742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.242742 (E_RNA)
where:
Base-Base interactions energy: -1050.353
where: short stacking energy: -472.108
Base-Backbone interact. energy: 4.443
local terms energy: -494.332854
where:
bonds (distance) C4'-P energy: -96.181
bonds (distance) P-C4' energy: -101.574
flat angles C4'-P-C4' energy: -105.085
flat angles P-C4'-P energy: -70.839
tors. eta vs tors. theta energy: -120.653
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: 5
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1497.356607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.356607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.356607 (E_RNA)
where:
Base-Base interactions energy: -1033.872
where: short stacking energy: -421.456
Base-Backbone interact. energy: 1.466
local terms energy: -464.950687
where:
bonds (distance) C4'-P energy: -84.021
bonds (distance) P-C4' energy: -97.433
flat angles C4'-P-C4' energy: -102.389
flat angles P-C4'-P energy: -60.394
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: 7, replica: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1211.543764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.543764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.543764 (E_RNA)
where:
Base-Base interactions energy: -801.720
where: short stacking energy: -344.786
Base-Backbone interact. energy: -1.071
local terms energy: -408.752664
where:
bonds (distance) C4'-P energy: -86.060
bonds (distance) P-C4' energy: -96.117
flat angles C4'-P-C4' energy: -99.509
flat angles P-C4'-P energy: -62.835
tors. eta vs tors. theta energy: -64.232
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: 318
Temperature: 1.250000
Total energy: -1096.279915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.279915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.279915 (E_RNA)
where:
Base-Base interactions energy: -721.274
where: short stacking energy: -324.529
Base-Backbone interact. energy: -4.600
local terms energy: -370.405804
where:
bonds (distance) C4'-P energy: -77.437
bonds (distance) P-C4' energy: -82.046
flat angles C4'-P-C4' energy: -88.419
flat angles P-C4'-P energy: -59.346
tors. eta vs tors. theta energy: -63.158
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: 9
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -778.437691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.437691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.437691 (E_RNA)
where:
Base-Base interactions energy: -475.795
where: short stacking energy: -224.556
Base-Backbone interact. energy: -1.840
local terms energy: -300.803482
where:
bonds (distance) C4'-P energy: -92.407
bonds (distance) P-C4' energy: -81.004
flat angles C4'-P-C4' energy: -83.321
flat angles P-C4'-P energy: -26.343
tors. eta vs tors. theta energy: -17.729
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: 318
Temperature: 1.350000
Total energy: -706.987455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.987455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.987455 (E_RNA)
where:
Base-Base interactions energy: -385.554
where: short stacking energy: -195.734
Base-Backbone interact. energy: 1.392
local terms energy: -322.825066
where:
bonds (distance) C4'-P energy: -100.713
bonds (distance) P-C4' energy: -85.184
flat angles C4'-P-C4' energy: -78.357
flat angles P-C4'-P energy: -47.549
tors. eta vs tors. theta energy: -11.023
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: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1894.892810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.892810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.892810 (E_RNA)
where:
Base-Base interactions energy: -1335.350
where: short stacking energy: -527.573
Base-Backbone interact. energy: -4.175
local terms energy: -555.367941
where:
bonds (distance) C4'-P energy: -109.780
bonds (distance) P-C4' energy: -96.161
flat angles C4'-P-C4' energy: -122.810
flat angles P-C4'-P energy: -74.127
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: 2, replica: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1776.761061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.761061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.761061 (E_RNA)
where:
Base-Base interactions energy: -1230.315
where: short stacking energy: -498.802
Base-Backbone interact. energy: -1.251
local terms energy: -545.194490
where:
bonds (distance) C4'-P energy: -113.509
bonds (distance) P-C4' energy: -112.118
flat angles C4'-P-C4' energy: -113.610
flat angles P-C4'-P energy: -75.317
tors. eta vs tors. theta energy: -130.641
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: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1761.066726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.066726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.066726 (E_RNA)
where:
Base-Base interactions energy: -1215.590
where: short stacking energy: -494.736
Base-Backbone interact. energy: -4.738
local terms energy: -540.738764
where:
bonds (distance) C4'-P energy: -99.832
bonds (distance) P-C4' energy: -100.396
flat angles C4'-P-C4' energy: -118.282
flat angles P-C4'-P energy: -89.010
tors. eta vs tors. theta energy: -133.218
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: 4, replica: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1656.944561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.944561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.944561 (E_RNA)
where:
Base-Base interactions energy: -1120.837
where: short stacking energy: -484.239
Base-Backbone interact. energy: -2.478
local terms energy: -533.628988
where:
bonds (distance) C4'-P energy: -91.781
bonds (distance) P-C4' energy: -106.553
flat angles C4'-P-C4' energy: -108.974
flat angles P-C4'-P energy: -75.393
tors. eta vs tors. theta energy: -150.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1538.493314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.493314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.493314 (E_RNA)
where:
Base-Base interactions energy: -1072.901
where: short stacking energy: -451.665
Base-Backbone interact. energy: -4.216
local terms energy: -461.376034
where:
bonds (distance) C4'-P energy: -84.657
bonds (distance) P-C4' energy: -87.731
flat angles C4'-P-C4' energy: -104.691
flat angles P-C4'-P energy: -72.326
tors. eta vs tors. theta energy: -111.972
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: 319
Temperature: 1.150000
Total energy: -1471.227490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.227490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.227490 (E_RNA)
where:
Base-Base interactions energy: -999.513
where: short stacking energy: -435.076
Base-Backbone interact. energy: -0.343
local terms energy: -471.371639
where:
bonds (distance) C4'-P energy: -92.546
bonds (distance) P-C4' energy: -103.460
flat angles C4'-P-C4' energy: -96.873
flat angles P-C4'-P energy: -59.624
tors. eta vs tors. theta energy: -118.869
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: 8
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1291.071412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.071412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.071412 (E_RNA)
where:
Base-Base interactions energy: -857.661
where: short stacking energy: -373.124
Base-Backbone interact. energy: 2.508
local terms energy: -435.918383
where:
bonds (distance) C4'-P energy: -76.742
bonds (distance) P-C4' energy: -97.391
flat angles C4'-P-C4' energy: -100.815
flat angles P-C4'-P energy: -64.296
tors. eta vs tors. theta energy: -96.674
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: 7
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1095.972790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.972790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.972790 (E_RNA)
where:
Base-Base interactions energy: -716.400
where: short stacking energy: -289.753
Base-Backbone interact. energy: 1.733
local terms energy: -381.305053
where:
bonds (distance) C4'-P energy: -81.638
bonds (distance) P-C4' energy: -87.530
flat angles C4'-P-C4' energy: -89.766
flat angles P-C4'-P energy: -70.266
tors. eta vs tors. theta energy: -52.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -805.752081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.752081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.752081 (E_RNA)
where:
Base-Base interactions energy: -483.227
where: short stacking energy: -234.626
Base-Backbone interact. energy: 1.121
local terms energy: -323.645115
where:
bonds (distance) C4'-P energy: -67.255
bonds (distance) P-C4' energy: -97.648
flat angles C4'-P-C4' energy: -77.979
flat angles P-C4'-P energy: -44.743
tors. eta vs tors. theta energy: -36.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -677.294579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.294579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.294579 (E_RNA)
where:
Base-Base interactions energy: -342.852
where: short stacking energy: -197.751
Base-Backbone interact. energy: 3.936
local terms energy: -338.378111
where:
bonds (distance) C4'-P energy: -85.413
bonds (distance) P-C4' energy: -93.770
flat angles C4'-P-C4' energy: -89.664
flat angles P-C4'-P energy: -49.932
tors. eta vs tors. theta energy: -19.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1897.313704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.313704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.313704 (E_RNA)
where:
Base-Base interactions energy: -1332.904
where: short stacking energy: -558.334
Base-Backbone interact. energy: -2.965
local terms energy: -561.444352
where:
bonds (distance) C4'-P energy: -106.164
bonds (distance) P-C4' energy: -103.039
flat angles C4'-P-C4' energy: -111.986
flat angles P-C4'-P energy: -88.761
tors. eta vs tors. theta energy: -151.493
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: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1799.423248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.423248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.423248 (E_RNA)
where:
Base-Base interactions energy: -1267.017
where: short stacking energy: -541.696
Base-Backbone interact. energy: -2.056
local terms energy: -530.350840
where:
bonds (distance) C4'-P energy: -91.388
bonds (distance) P-C4' energy: -102.803
flat angles C4'-P-C4' energy: -117.211
flat angles P-C4'-P energy: -70.259
tors. eta vs tors. theta energy: -148.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1695.418668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.418668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.418668 (E_RNA)
where:
Base-Base interactions energy: -1152.291
where: short stacking energy: -473.614
Base-Backbone interact. energy: 3.122
local terms energy: -546.250012
where:
bonds (distance) C4'-P energy: -113.004
bonds (distance) P-C4' energy: -109.468
flat angles C4'-P-C4' energy: -113.870
flat angles P-C4'-P energy: -84.974
tors. eta vs tors. theta energy: -124.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1612.519947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.519947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.519947 (E_RNA)
where:
Base-Base interactions energy: -1104.733
where: short stacking energy: -474.766
Base-Backbone interact. energy: 2.430
local terms energy: -510.217830
where:
bonds (distance) C4'-P energy: -89.317
bonds (distance) P-C4' energy: -99.276
flat angles C4'-P-C4' energy: -102.409
flat angles P-C4'-P energy: -76.302
tors. eta vs tors. theta energy: -142.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1511.196211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.196211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.196211 (E_RNA)
where:
Base-Base interactions energy: -1031.414
where: short stacking energy: -454.305
Base-Backbone interact. energy: -1.999
local terms energy: -477.783647
where:
bonds (distance) C4'-P energy: -88.908
bonds (distance) P-C4' energy: -101.144
flat angles C4'-P-C4' energy: -108.766
flat angles P-C4'-P energy: -72.497
tors. eta vs tors. theta energy: -106.469
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: 5
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1433.453158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.453158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.453158 (E_RNA)
where:
Base-Base interactions energy: -987.527
where: short stacking energy: -413.459
Base-Backbone interact. energy: 1.324
local terms energy: -447.249808
where:
bonds (distance) C4'-P energy: -90.051
bonds (distance) P-C4' energy: -83.906
flat angles C4'-P-C4' energy: -105.831
flat angles P-C4'-P energy: -65.794
tors. eta vs tors. theta energy: -101.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1255.668543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.668543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.668543 (E_RNA)
where:
Base-Base interactions energy: -808.179
where: short stacking energy: -346.592
Base-Backbone interact. energy: 0.178
local terms energy: -447.667344
where:
bonds (distance) C4'-P energy: -90.924
bonds (distance) P-C4' energy: -93.167
flat angles C4'-P-C4' energy: -103.245
flat angles P-C4'-P energy: -68.017
tors. eta vs tors. theta energy: -92.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1126.391778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.391778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.391778 (E_RNA)
where:
Base-Base interactions energy: -740.081
where: short stacking energy: -315.876
Base-Backbone interact. energy: 2.842
local terms energy: -389.152661
where:
bonds (distance) C4'-P energy: -91.078
bonds (distance) P-C4' energy: -96.566
flat angles C4'-P-C4' energy: -92.869
flat angles P-C4'-P energy: -52.156
tors. eta vs tors. theta energy: -56.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -791.480948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.480948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.480948 (E_RNA)
where:
Base-Base interactions energy: -440.897
where: short stacking energy: -205.799
Base-Backbone interact. energy: -1.192
local terms energy: -349.392111
where:
bonds (distance) C4'-P energy: -76.130
bonds (distance) P-C4' energy: -104.963
flat angles C4'-P-C4' energy: -78.101
flat angles P-C4'-P energy: -56.484
tors. eta vs tors. theta energy: -33.714
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: 320
Temperature: 1.350000
Total energy: -668.900618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.900618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.900618 (E_RNA)
where:
Base-Base interactions energy: -338.843
where: short stacking energy: -180.615
Base-Backbone interact. energy: 1.032
local terms energy: -331.090001
where:
bonds (distance) C4'-P energy: -77.972
bonds (distance) P-C4' energy: -97.832
flat angles C4'-P-C4' energy: -85.446
flat angles P-C4'-P energy: -52.184
tors. eta vs tors. theta energy: -17.655
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: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1894.712158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.712158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.712158 (E_RNA)
where:
Base-Base interactions energy: -1324.924
where: short stacking energy: -528.702
Base-Backbone interact. energy: -3.790
local terms energy: -565.998928
where:
bonds (distance) C4'-P energy: -98.714
bonds (distance) P-C4' energy: -111.836
flat angles C4'-P-C4' energy: -124.026
flat angles P-C4'-P energy: -81.900
tors. eta vs tors. theta energy: -149.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1777.233896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.233896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.233896 (E_RNA)
where:
Base-Base interactions energy: -1255.992
where: short stacking energy: -532.999
Base-Backbone interact. energy: 1.494
local terms energy: -522.735610
where:
bonds (distance) C4'-P energy: -93.912
bonds (distance) P-C4' energy: -101.452
flat angles C4'-P-C4' energy: -106.219
flat angles P-C4'-P energy: -80.809
tors. eta vs tors. theta energy: -140.343
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: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1726.938588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.938588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.938588 (E_RNA)
where:
Base-Base interactions energy: -1235.349
where: short stacking energy: -507.001
Base-Backbone interact. energy: -1.550
local terms energy: -490.039689
where:
bonds (distance) C4'-P energy: -86.413
bonds (distance) P-C4' energy: -85.970
flat angles C4'-P-C4' energy: -114.802
flat angles P-C4'-P energy: -60.560
tors. eta vs tors. theta energy: -142.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1597.932691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.932691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.932691 (E_RNA)
where:
Base-Base interactions energy: -1106.641
where: short stacking energy: -471.860
Base-Backbone interact. energy: -0.970
local terms energy: -490.321810
where:
bonds (distance) C4'-P energy: -104.724
bonds (distance) P-C4' energy: -89.436
flat angles C4'-P-C4' energy: -94.728
flat angles P-C4'-P energy: -69.684
tors. eta vs tors. theta energy: -131.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1533.640536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.640536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.640536 (E_RNA)
where:
Base-Base interactions energy: -1050.024
where: short stacking energy: -477.623
Base-Backbone interact. energy: -1.431
local terms energy: -482.185990
where:
bonds (distance) C4'-P energy: -88.972
bonds (distance) P-C4' energy: -89.443
flat angles C4'-P-C4' energy: -108.000
flat angles P-C4'-P energy: -74.474
tors. eta vs tors. theta energy: -121.296
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: 5
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1459.510219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.510219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.510219 (E_RNA)
where:
Base-Base interactions energy: -981.668
where: short stacking energy: -444.865
Base-Backbone interact. energy: 1.687
local terms energy: -479.529203
where:
bonds (distance) C4'-P energy: -94.148
bonds (distance) P-C4' energy: -93.429
flat angles C4'-P-C4' energy: -113.873
flat angles P-C4'-P energy: -55.579
tors. eta vs tors. theta energy: -122.501
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: 7, replica: 8
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1347.436777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.436777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.436777 (E_RNA)
where:
Base-Base interactions energy: -933.680
where: short stacking energy: -410.472
Base-Backbone interact. energy: -2.273
local terms energy: -411.483724
where:
bonds (distance) C4'-P energy: -84.381
bonds (distance) P-C4' energy: -77.291
flat angles C4'-P-C4' energy: -86.431
flat angles P-C4'-P energy: -62.435
tors. eta vs tors. theta energy: -100.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1145.784079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.784079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.784079 (E_RNA)
where:
Base-Base interactions energy: -767.726
where: short stacking energy: -318.095
Base-Backbone interact. energy: 4.086
local terms energy: -382.144582
where:
bonds (distance) C4'-P energy: -80.934
bonds (distance) P-C4' energy: -91.602
flat angles C4'-P-C4' energy: -86.584
flat angles P-C4'-P energy: -55.473
tors. eta vs tors. theta energy: -67.552
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: 9
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -793.248027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.248027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.248027 (E_RNA)
where:
Base-Base interactions energy: -479.180
where: short stacking energy: -221.106
Base-Backbone interact. energy: 2.037
local terms energy: -316.105452
where:
bonds (distance) C4'-P energy: -80.485
bonds (distance) P-C4' energy: -90.938
flat angles C4'-P-C4' energy: -82.153
flat angles P-C4'-P energy: -50.199
tors. eta vs tors. theta energy: -12.330
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: 321
Temperature: 1.350000
Total energy: -602.604296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.604296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.604296 (E_RNA)
where:
Base-Base interactions energy: -305.050
where: short stacking energy: -173.906
Base-Backbone interact. energy: -1.125
local terms energy: -296.428788
where:
bonds (distance) C4'-P energy: -76.319
bonds (distance) P-C4' energy: -89.703
flat angles C4'-P-C4' energy: -87.332
flat angles P-C4'-P energy: -45.961
tors. eta vs tors. theta energy: 2.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1871.880805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.880805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.880805 (E_RNA)
where:
Base-Base interactions energy: -1311.652
where: short stacking energy: -516.651
Base-Backbone interact. energy: -3.329
local terms energy: -556.900520
where:
bonds (distance) C4'-P energy: -103.855
bonds (distance) P-C4' energy: -108.283
flat angles C4'-P-C4' energy: -114.198
flat angles P-C4'-P energy: -85.316
tors. eta vs tors. theta energy: -145.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1808.048062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.048062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.048062 (E_RNA)
where:
Base-Base interactions energy: -1275.593
where: short stacking energy: -536.123
Base-Backbone interact. energy: -1.269
local terms energy: -531.186185
where:
bonds (distance) C4'-P energy: -97.523
bonds (distance) P-C4' energy: -102.706
flat angles C4'-P-C4' energy: -117.146
flat angles P-C4'-P energy: -80.407
tors. eta vs tors. theta energy: -133.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1719.383008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.383008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.383008 (E_RNA)
where:
Base-Base interactions energy: -1213.235
where: short stacking energy: -487.955
Base-Backbone interact. energy: -3.027
local terms energy: -503.121531
where:
bonds (distance) C4'-P energy: -95.663
bonds (distance) P-C4' energy: -89.768
flat angles C4'-P-C4' energy: -109.055
flat angles P-C4'-P energy: -72.035
tors. eta vs tors. theta energy: -136.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1610.667138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.667138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.667138 (E_RNA)
where:
Base-Base interactions energy: -1098.761
where: short stacking energy: -463.448
Base-Backbone interact. energy: -1.916
local terms energy: -509.990025
where:
bonds (distance) C4'-P energy: -102.848
bonds (distance) P-C4' energy: -96.675
flat angles C4'-P-C4' energy: -111.504
flat angles P-C4'-P energy: -72.193
tors. eta vs tors. theta energy: -126.771
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: 322
Temperature: 1.100000
Total energy: -1529.484502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.484502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.484502 (E_RNA)
where:
Base-Base interactions energy: -1044.603
where: short stacking energy: -453.105
Base-Backbone interact. energy: -1.224
local terms energy: -483.657611
where:
bonds (distance) C4'-P energy: -87.597
bonds (distance) P-C4' energy: -88.431
flat angles C4'-P-C4' energy: -114.266
flat angles P-C4'-P energy: -70.335
tors. eta vs tors. theta energy: -123.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1506.227055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.227055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.227055 (E_RNA)
where:
Base-Base interactions energy: -1047.829
where: short stacking energy: -456.464
Base-Backbone interact. energy: -0.953
local terms energy: -457.445119
where:
bonds (distance) C4'-P energy: -79.520
bonds (distance) P-C4' energy: -87.266
flat angles C4'-P-C4' energy: -107.278
flat angles P-C4'-P energy: -63.561
tors. eta vs tors. theta energy: -119.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1364.389253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.389253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.389253 (E_RNA)
where:
Base-Base interactions energy: -945.777
where: short stacking energy: -388.590
Base-Backbone interact. energy: -1.606
local terms energy: -417.006003
where:
bonds (distance) C4'-P energy: -84.709
bonds (distance) P-C4' energy: -89.586
flat angles C4'-P-C4' energy: -86.814
flat angles P-C4'-P energy: -52.582
tors. eta vs tors. theta energy: -103.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1146.529791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.529791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.529791 (E_RNA)
where:
Base-Base interactions energy: -767.653
where: short stacking energy: -330.539
Base-Backbone interact. energy: 7.130
local terms energy: -386.006883
where:
bonds (distance) C4'-P energy: -88.425
bonds (distance) P-C4' energy: -84.207
flat angles C4'-P-C4' energy: -84.801
flat angles P-C4'-P energy: -65.305
tors. eta vs tors. theta energy: -63.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -821.809955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.809955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.809955 (E_RNA)
where:
Base-Base interactions energy: -513.884
where: short stacking energy: -212.900
Base-Backbone interact. energy: -0.432
local terms energy: -307.493830
where:
bonds (distance) C4'-P energy: -82.733
bonds (distance) P-C4' energy: -100.171
flat angles C4'-P-C4' energy: -70.834
flat angles P-C4'-P energy: -46.856
tors. eta vs tors. theta energy: -6.900
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: 10, replica: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -535.274377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.274377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.274377 (E_RNA)
where:
Base-Base interactions energy: -271.794
where: short stacking energy: -165.268
Base-Backbone interact. energy: -4.725
local terms energy: -258.755716
where:
bonds (distance) C4'-P energy: -73.747
bonds (distance) P-C4' energy: -55.483
flat angles C4'-P-C4' energy: -86.128
flat angles P-C4'-P energy: -50.481
tors. eta vs tors. theta energy: 7.083
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: 1, replica: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1855.413053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.413053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.413053 (E_RNA)
where:
Base-Base interactions energy: -1335.432
where: short stacking energy: -550.455
Base-Backbone interact. energy: 3.790
local terms energy: -523.771401
where:
bonds (distance) C4'-P energy: -98.885
bonds (distance) P-C4' energy: -90.547
flat angles C4'-P-C4' energy: -114.390
flat angles P-C4'-P energy: -75.464
tors. eta vs tors. theta energy: -144.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1804.235880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.235880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.235880 (E_RNA)
where:
Base-Base interactions energy: -1252.728
where: short stacking energy: -543.910
Base-Backbone interact. energy: -3.853
local terms energy: -547.655482
where:
bonds (distance) C4'-P energy: -97.839
bonds (distance) P-C4' energy: -108.989
flat angles C4'-P-C4' energy: -122.216
flat angles P-C4'-P energy: -72.679
tors. eta vs tors. theta energy: -145.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1745.894557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.894557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.894557 (E_RNA)
where:
Base-Base interactions energy: -1222.105
where: short stacking energy: -527.746
Base-Backbone interact. energy: 1.425
local terms energy: -525.214878
where:
bonds (distance) C4'-P energy: -103.471
bonds (distance) P-C4' energy: -102.655
flat angles C4'-P-C4' energy: -94.255
flat angles P-C4'-P energy: -81.789
tors. eta vs tors. theta energy: -143.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1658.907013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.907013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.907013 (E_RNA)
where:
Base-Base interactions energy: -1123.118
where: short stacking energy: -486.179
Base-Backbone interact. energy: -0.702
local terms energy: -535.086165
where:
bonds (distance) C4'-P energy: -99.700
bonds (distance) P-C4' energy: -99.790
flat angles C4'-P-C4' energy: -118.558
flat angles P-C4'-P energy: -81.101
tors. eta vs tors. theta energy: -135.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1542.229731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.229731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.229731 (E_RNA)
where:
Base-Base interactions energy: -1058.676
where: short stacking energy: -461.147
Base-Backbone interact. energy: -1.763
local terms energy: -481.791090
where:
bonds (distance) C4'-P energy: -88.626
bonds (distance) P-C4' energy: -94.991
flat angles C4'-P-C4' energy: -102.385
flat angles P-C4'-P energy: -70.617
tors. eta vs tors. theta energy: -125.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1479.139574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.139574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.139574 (E_RNA)
where:
Base-Base interactions energy: -1008.223
where: short stacking energy: -400.267
Base-Backbone interact. energy: -1.137
local terms energy: -469.779422
where:
bonds (distance) C4'-P energy: -88.994
bonds (distance) P-C4' energy: -99.712
flat angles C4'-P-C4' energy: -102.059
flat angles P-C4'-P energy: -78.412
tors. eta vs tors. theta energy: -100.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1344.460483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.460483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.460483 (E_RNA)
where:
Base-Base interactions energy: -916.148
where: short stacking energy: -386.096
Base-Backbone interact. energy: -1.431
local terms energy: -426.880977
where:
bonds (distance) C4'-P energy: -74.005
bonds (distance) P-C4' energy: -87.368
flat angles C4'-P-C4' energy: -104.129
flat angles P-C4'-P energy: -61.272
tors. eta vs tors. theta energy: -100.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1146.157893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.157893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.157893 (E_RNA)
where:
Base-Base interactions energy: -745.842
where: short stacking energy: -317.098
Base-Backbone interact. energy: -1.173
local terms energy: -399.143515
where:
bonds (distance) C4'-P energy: -84.868
bonds (distance) P-C4' energy: -100.214
flat angles C4'-P-C4' energy: -102.233
flat angles P-C4'-P energy: -31.763
tors. eta vs tors. theta energy: -80.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -866.833922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.833922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.833922 (E_RNA)
where:
Base-Base interactions energy: -548.650
where: short stacking energy: -263.467
Base-Backbone interact. energy: -1.784
local terms energy: -316.400486
where:
bonds (distance) C4'-P energy: -67.414
bonds (distance) P-C4' energy: -95.218
flat angles C4'-P-C4' energy: -66.193
flat angles P-C4'-P energy: -46.854
tors. eta vs tors. theta energy: -40.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -545.299018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.299018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.299018 (E_RNA)
where:
Base-Base interactions energy: -276.282
where: short stacking energy: -180.548
Base-Backbone interact. energy: -1.669
local terms energy: -267.347929
where:
bonds (distance) C4'-P energy: -78.242
bonds (distance) P-C4' energy: -84.520
flat angles C4'-P-C4' energy: -61.195
flat angles P-C4'-P energy: -29.820
tors. eta vs tors. theta energy: -13.571
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: 324
Temperature: 0.900000
Total energy: -1873.418317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.418317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.418317 (E_RNA)
where:
Base-Base interactions energy: -1304.794
where: short stacking energy: -531.757
Base-Backbone interact. energy: -3.329
local terms energy: -565.295215
where:
bonds (distance) C4'-P energy: -104.489
bonds (distance) P-C4' energy: -105.002
flat angles C4'-P-C4' energy: -123.371
flat angles P-C4'-P energy: -81.934
tors. eta vs tors. theta energy: -150.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1825.257454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.257454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.257454 (E_RNA)
where:
Base-Base interactions energy: -1272.703
where: short stacking energy: -536.940
Base-Backbone interact. energy: -2.389
local terms energy: -550.164837
where:
bonds (distance) C4'-P energy: -98.886
bonds (distance) P-C4' energy: -108.520
flat angles C4'-P-C4' energy: -118.723
flat angles P-C4'-P energy: -80.418
tors. eta vs tors. theta energy: -143.617
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: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1744.482206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.482206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.482206 (E_RNA)
where:
Base-Base interactions energy: -1214.478
where: short stacking energy: -505.668
Base-Backbone interact. energy: -2.419
local terms energy: -527.585183
where:
bonds (distance) C4'-P energy: -100.134
bonds (distance) P-C4' energy: -103.906
flat angles C4'-P-C4' energy: -101.408
flat angles P-C4'-P energy: -78.531
tors. eta vs tors. theta energy: -143.606
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: 6
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1622.752698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.752698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.752698 (E_RNA)
where:
Base-Base interactions energy: -1096.699
where: short stacking energy: -446.623
Base-Backbone interact. energy: -0.262
local terms energy: -525.791240
where:
bonds (distance) C4'-P energy: -90.700
bonds (distance) P-C4' energy: -101.598
flat angles C4'-P-C4' energy: -110.847
flat angles P-C4'-P energy: -86.900
tors. eta vs tors. theta energy: -135.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1551.723776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.723776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.723776 (E_RNA)
where:
Base-Base interactions energy: -1082.704
where: short stacking energy: -489.005
Base-Backbone interact. energy: 1.611
local terms energy: -470.629876
where:
bonds (distance) C4'-P energy: -82.232
bonds (distance) P-C4' energy: -88.353
flat angles C4'-P-C4' energy: -101.163
flat angles P-C4'-P energy: -72.094
tors. eta vs tors. theta energy: -126.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1443.981444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.981444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.981444 (E_RNA)
where:
Base-Base interactions energy: -995.276
where: short stacking energy: -420.544
Base-Backbone interact. energy: -2.751
local terms energy: -445.953905
where:
bonds (distance) C4'-P energy: -78.103
bonds (distance) P-C4' energy: -95.624
flat angles C4'-P-C4' energy: -99.196
flat angles P-C4'-P energy: -59.843
tors. eta vs tors. theta energy: -113.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1354.959280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.959280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.959280 (E_RNA)
where:
Base-Base interactions energy: -919.305
where: short stacking energy: -406.583
Base-Backbone interact. energy: 2.863
local terms energy: -438.516553
where:
bonds (distance) C4'-P energy: -95.257
bonds (distance) P-C4' energy: -77.777
flat angles C4'-P-C4' energy: -95.695
flat angles P-C4'-P energy: -62.109
tors. eta vs tors. theta energy: -107.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1177.430331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.430331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.430331 (E_RNA)
where:
Base-Base interactions energy: -760.629
where: short stacking energy: -340.117
Base-Backbone interact. energy: -2.219
local terms energy: -414.582620
where:
bonds (distance) C4'-P energy: -91.426
bonds (distance) P-C4' energy: -75.918
flat angles C4'-P-C4' energy: -96.291
flat angles P-C4'-P energy: -63.348
tors. eta vs tors. theta energy: -87.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -872.141441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.141441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.141441 (E_RNA)
where:
Base-Base interactions energy: -555.943
where: short stacking energy: -268.030
Base-Backbone interact. energy: -1.336
local terms energy: -314.862556
where:
bonds (distance) C4'-P energy: -78.752
bonds (distance) P-C4' energy: -84.897
flat angles C4'-P-C4' energy: -75.458
flat angles P-C4'-P energy: -39.129
tors. eta vs tors. theta energy: -36.627
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: 10, replica: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -585.176589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.176589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.176589 (E_RNA)
where:
Base-Base interactions energy: -263.529
where: short stacking energy: -139.429
Base-Backbone interact. energy: 0.344
local terms energy: -321.991551
where:
bonds (distance) C4'-P energy: -88.340
bonds (distance) P-C4' energy: -109.470
flat angles C4'-P-C4' energy: -78.024
flat angles P-C4'-P energy: -55.309
tors. eta vs tors. theta energy: 9.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1865.998627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.998627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.998627 (E_RNA)
where:
Base-Base interactions energy: -1306.406
where: short stacking energy: -528.125
Base-Backbone interact. energy: 0.505
local terms energy: -560.097547
where:
bonds (distance) C4'-P energy: -105.451
bonds (distance) P-C4' energy: -110.084
flat angles C4'-P-C4' energy: -112.535
flat angles P-C4'-P energy: -82.043
tors. eta vs tors. theta energy: -149.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1818.559425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.559425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.559425 (E_RNA)
where:
Base-Base interactions energy: -1276.256
where: short stacking energy: -533.825
Base-Backbone interact. energy: -3.205
local terms energy: -539.097718
where:
bonds (distance) C4'-P energy: -98.240
bonds (distance) P-C4' energy: -98.134
flat angles C4'-P-C4' energy: -119.715
flat angles P-C4'-P energy: -74.836
tors. eta vs tors. theta energy: -148.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1755.849563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.849563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.849563 (E_RNA)
where:
Base-Base interactions energy: -1232.003
where: short stacking energy: -515.876
Base-Backbone interact. energy: 2.594
local terms energy: -526.440552
where:
bonds (distance) C4'-P energy: -97.158
bonds (distance) P-C4' energy: -108.988
flat angles C4'-P-C4' energy: -114.074
flat angles P-C4'-P energy: -64.372
tors. eta vs tors. theta energy: -141.848
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: 4, replica: 4
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1580.873944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.873944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.873944 (E_RNA)
where:
Base-Base interactions energy: -1089.801
where: short stacking energy: -466.434
Base-Backbone interact. energy: -2.672
local terms energy: -488.401028
where:
bonds (distance) C4'-P energy: -87.766
bonds (distance) P-C4' energy: -92.198
flat angles C4'-P-C4' energy: -115.795
flat angles P-C4'-P energy: -68.184
tors. eta vs tors. theta energy: -124.458
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: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1530.243724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.243724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.243724 (E_RNA)
where:
Base-Base interactions energy: -1060.454
where: short stacking energy: -438.174
Base-Backbone interact. energy: -0.896
local terms energy: -468.894083
where:
bonds (distance) C4'-P energy: -87.818
bonds (distance) P-C4' energy: -96.612
flat angles C4'-P-C4' energy: -96.346
flat angles P-C4'-P energy: -62.110
tors. eta vs tors. theta energy: -126.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1428.177076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.177076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.177076 (E_RNA)
where:
Base-Base interactions energy: -968.729
where: short stacking energy: -421.809
Base-Backbone interact. energy: -3.811
local terms energy: -455.636935
where:
bonds (distance) C4'-P energy: -85.432
bonds (distance) P-C4' energy: -97.730
flat angles C4'-P-C4' energy: -91.622
flat angles P-C4'-P energy: -68.021
tors. eta vs tors. theta energy: -112.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1333.826983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.826983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.826983 (E_RNA)
where:
Base-Base interactions energy: -923.452
where: short stacking energy: -407.169
Base-Backbone interact. energy: -2.399
local terms energy: -407.976253
where:
bonds (distance) C4'-P energy: -87.103
bonds (distance) P-C4' energy: -84.121
flat angles C4'-P-C4' energy: -93.396
flat angles P-C4'-P energy: -61.978
tors. eta vs tors. theta energy: -81.378
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: 7
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1136.332427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.332427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.332427 (E_RNA)
where:
Base-Base interactions energy: -778.045
where: short stacking energy: -332.104
Base-Backbone interact. energy: 2.178
local terms energy: -360.465474
where:
bonds (distance) C4'-P energy: -90.534
bonds (distance) P-C4' energy: -71.023
flat angles C4'-P-C4' energy: -87.232
flat angles P-C4'-P energy: -49.631
tors. eta vs tors. theta energy: -62.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -847.484586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.484586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.484586 (E_RNA)
where:
Base-Base interactions energy: -532.682
where: short stacking energy: -269.923
Base-Backbone interact. energy: -2.312
local terms energy: -312.490565
where:
bonds (distance) C4'-P energy: -78.199
bonds (distance) P-C4' energy: -84.377
flat angles C4'-P-C4' energy: -70.746
flat angles P-C4'-P energy: -37.790
tors. eta vs tors. theta energy: -41.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -581.744748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.744748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.744748 (E_RNA)
where:
Base-Base interactions energy: -292.732
where: short stacking energy: -156.030
Base-Backbone interact. energy: -2.780
local terms energy: -286.232205
where:
bonds (distance) C4'-P energy: -72.078
bonds (distance) P-C4' energy: -86.053
flat angles C4'-P-C4' energy: -77.323
flat angles P-C4'-P energy: -53.466
tors. eta vs tors. theta energy: 2.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1889.962848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.962848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.962848 (E_RNA)
where:
Base-Base interactions energy: -1328.820
where: short stacking energy: -526.361
Base-Backbone interact. energy: 0.574
local terms energy: -561.716478
where:
bonds (distance) C4'-P energy: -100.692
bonds (distance) P-C4' energy: -112.060
flat angles C4'-P-C4' energy: -119.569
flat angles P-C4'-P energy: -84.550
tors. eta vs tors. theta energy: -144.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1785.399180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.399180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.399180 (E_RNA)
where:
Base-Base interactions energy: -1263.859
where: short stacking energy: -504.283
Base-Backbone interact. energy: -1.003
local terms energy: -520.537080
where:
bonds (distance) C4'-P energy: -89.910
bonds (distance) P-C4' energy: -88.167
flat angles C4'-P-C4' energy: -113.539
flat angles P-C4'-P energy: -89.254
tors. eta vs tors. theta energy: -139.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1787.423141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.423141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.423141 (E_RNA)
where:
Base-Base interactions energy: -1264.118
where: short stacking energy: -527.832
Base-Backbone interact. energy: 8.272
local terms energy: -531.577859
where:
bonds (distance) C4'-P energy: -85.685
bonds (distance) P-C4' energy: -98.040
flat angles C4'-P-C4' energy: -114.094
flat angles P-C4'-P energy: -91.259
tors. eta vs tors. theta energy: -142.500
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: 4
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1631.343937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.343937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.343937 (E_RNA)
where:
Base-Base interactions energy: -1115.394
where: short stacking energy: -470.745
Base-Backbone interact. energy: -1.722
local terms energy: -514.228315
where:
bonds (distance) C4'-P energy: -95.466
bonds (distance) P-C4' energy: -108.689
flat angles C4'-P-C4' energy: -105.212
flat angles P-C4'-P energy: -75.579
tors. eta vs tors. theta energy: -129.282
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: 6
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1572.590664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.590664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.590664 (E_RNA)
where:
Base-Base interactions energy: -1064.439
where: short stacking energy: -462.277
Base-Backbone interact. energy: -0.518
local terms energy: -507.633485
where:
bonds (distance) C4'-P energy: -85.020
bonds (distance) P-C4' energy: -99.612
flat angles C4'-P-C4' energy: -108.180
flat angles P-C4'-P energy: -83.133
tors. eta vs tors. theta energy: -131.688
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: 5
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1456.983951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.983951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.983951 (E_RNA)
where:
Base-Base interactions energy: -1012.588
where: short stacking energy: -444.016
Base-Backbone interact. energy: -2.682
local terms energy: -441.714159
where:
bonds (distance) C4'-P energy: -71.871
bonds (distance) P-C4' energy: -75.081
flat angles C4'-P-C4' energy: -102.875
flat angles P-C4'-P energy: -71.663
tors. eta vs tors. theta energy: -120.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1349.250891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.250891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.250891 (E_RNA)
where:
Base-Base interactions energy: -929.330
where: short stacking energy: -402.535
Base-Backbone interact. energy: -1.687
local terms energy: -418.234500
where:
bonds (distance) C4'-P energy: -78.622
bonds (distance) P-C4' energy: -95.250
flat angles C4'-P-C4' energy: -79.430
flat angles P-C4'-P energy: -62.722
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: 8, replica: 7
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1139.605061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.605061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.605061 (E_RNA)
where:
Base-Base interactions energy: -759.667
where: short stacking energy: -322.608
Base-Backbone interact. energy: 0.921
local terms energy: -380.858680
where:
bonds (distance) C4'-P energy: -73.262
bonds (distance) P-C4' energy: -91.554
flat angles C4'-P-C4' energy: -90.337
flat angles P-C4'-P energy: -59.570
tors. eta vs tors. theta energy: -66.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -860.267771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.267771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.267771 (E_RNA)
where:
Base-Base interactions energy: -495.967
where: short stacking energy: -242.399
Base-Backbone interact. energy: -4.099
local terms energy: -360.201989
where:
bonds (distance) C4'-P energy: -74.241
bonds (distance) P-C4' energy: -100.629
flat angles C4'-P-C4' energy: -93.804
flat angles P-C4'-P energy: -60.690
tors. eta vs tors. theta energy: -30.837
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: 10, replica: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -548.977480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.977480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.977480 (E_RNA)
where:
Base-Base interactions energy: -291.944
where: short stacking energy: -180.340
Base-Backbone interact. energy: 1.225
local terms energy: -258.258274
where:
bonds (distance) C4'-P energy: -60.762
bonds (distance) P-C4' energy: -93.508
flat angles C4'-P-C4' energy: -69.135
flat angles P-C4'-P energy: -38.010
tors. eta vs tors. theta energy: 3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1887.539271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.539271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.539271 (E_RNA)
where:
Base-Base interactions energy: -1323.073
where: short stacking energy: -536.689
Base-Backbone interact. energy: -4.487
local terms energy: -559.979145
where:
bonds (distance) C4'-P energy: -98.208
bonds (distance) P-C4' energy: -98.859
flat angles C4'-P-C4' energy: -128.085
flat angles P-C4'-P energy: -88.042
tors. eta vs tors. theta energy: -146.785
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: 2
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1823.365641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.365641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.365641 (E_RNA)
where:
Base-Base interactions energy: -1267.849
where: short stacking energy: -533.017
Base-Backbone interact. energy: -1.343
local terms energy: -554.173764
where:
bonds (distance) C4'-P energy: -106.587
bonds (distance) P-C4' energy: -103.274
flat angles C4'-P-C4' energy: -115.804
flat angles P-C4'-P energy: -81.748
tors. eta vs tors. theta energy: -146.761
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: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1767.958096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.958096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.958096 (E_RNA)
where:
Base-Base interactions energy: -1255.890
where: short stacking energy: -502.305
Base-Backbone interact. energy: 2.020
local terms energy: -514.088220
where:
bonds (distance) C4'-P energy: -85.684
bonds (distance) P-C4' energy: -102.421
flat angles C4'-P-C4' energy: -117.896
flat angles P-C4'-P energy: -74.096
tors. eta vs tors. theta energy: -133.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1645.409092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.409092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.409092 (E_RNA)
where:
Base-Base interactions energy: -1124.652
where: short stacking energy: -478.028
Base-Backbone interact. energy: 0.503
local terms energy: -521.259530
where:
bonds (distance) C4'-P energy: -101.089
bonds (distance) P-C4' energy: -97.258
flat angles C4'-P-C4' energy: -113.862
flat angles P-C4'-P energy: -77.015
tors. eta vs tors. theta energy: -132.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1539.094748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.094748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.094748 (E_RNA)
where:
Base-Base interactions energy: -1054.706
where: short stacking energy: -445.449
Base-Backbone interact. energy: -0.996
local terms energy: -483.393513
where:
bonds (distance) C4'-P energy: -96.906
bonds (distance) P-C4' energy: -99.051
flat angles C4'-P-C4' energy: -100.580
flat angles P-C4'-P energy: -65.587
tors. eta vs tors. theta energy: -121.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1457.849900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.849900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.849900 (E_RNA)
where:
Base-Base interactions energy: -989.730
where: short stacking energy: -426.313
Base-Backbone interact. energy: 1.448
local terms energy: -469.567359
where:
bonds (distance) C4'-P energy: -91.304
bonds (distance) P-C4' energy: -93.651
flat angles C4'-P-C4' energy: -104.787
flat angles P-C4'-P energy: -72.716
tors. eta vs tors. theta energy: -107.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1316.006599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.006599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.006599 (E_RNA)
where:
Base-Base interactions energy: -879.840
where: short stacking energy: -382.659
Base-Backbone interact. energy: 1.518
local terms energy: -437.684453
where:
bonds (distance) C4'-P energy: -82.236
bonds (distance) P-C4' energy: -95.745
flat angles C4'-P-C4' energy: -106.246
flat angles P-C4'-P energy: -69.708
tors. eta vs tors. theta energy: -83.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1171.137383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.137383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.137383 (E_RNA)
where:
Base-Base interactions energy: -785.364
where: short stacking energy: -336.729
Base-Backbone interact. energy: -2.555
local terms energy: -383.218902
where:
bonds (distance) C4'-P energy: -96.279
bonds (distance) P-C4' energy: -93.853
flat angles C4'-P-C4' energy: -74.356
flat angles P-C4'-P energy: -46.186
tors. eta vs tors. theta energy: -72.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -862.200365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.200365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.200365 (E_RNA)
where:
Base-Base interactions energy: -536.135
where: short stacking energy: -263.437
Base-Backbone interact. energy: 0.077
local terms energy: -326.142190
where:
bonds (distance) C4'-P energy: -89.820
bonds (distance) P-C4' energy: -93.648
flat angles C4'-P-C4' energy: -72.640
flat angles P-C4'-P energy: -42.938
tors. eta vs tors. theta energy: -27.096
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: 327
Temperature: 1.350000
Total energy: -576.094687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.094687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.094687 (E_RNA)
where:
Base-Base interactions energy: -288.963
where: short stacking energy: -158.271
Base-Backbone interact. energy: 1.639
local terms energy: -288.770178
where:
bonds (distance) C4'-P energy: -91.262
bonds (distance) P-C4' energy: -94.264
flat angles C4'-P-C4' energy: -70.365
flat angles P-C4'-P energy: -36.647
tors. eta vs tors. theta energy: 3.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1880.012722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.012722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.012722 (E_RNA)
where:
Base-Base interactions energy: -1327.378
where: short stacking energy: -549.338
Base-Backbone interact. energy: -3.325
local terms energy: -549.309265
where:
bonds (distance) C4'-P energy: -107.951
bonds (distance) P-C4' energy: -99.361
flat angles C4'-P-C4' energy: -109.827
flat angles P-C4'-P energy: -82.176
tors. eta vs tors. theta energy: -149.994
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: 2, replica: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1807.226446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.226446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.226446 (E_RNA)
where:
Base-Base interactions energy: -1255.552
where: short stacking energy: -511.472
Base-Backbone interact. energy: -3.661
local terms energy: -548.012727
where:
bonds (distance) C4'-P energy: -101.083
bonds (distance) P-C4' energy: -111.131
flat angles C4'-P-C4' energy: -117.013
flat angles P-C4'-P energy: -79.321
tors. eta vs tors. theta energy: -139.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1760.675887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.675887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.675887 (E_RNA)
where:
Base-Base interactions energy: -1232.557
where: short stacking energy: -513.683
Base-Backbone interact. energy: 0.499
local terms energy: -528.617856
where:
bonds (distance) C4'-P energy: -97.051
bonds (distance) P-C4' energy: -106.880
flat angles C4'-P-C4' energy: -106.394
flat angles P-C4'-P energy: -74.285
tors. eta vs tors. theta energy: -144.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1630.336493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.336493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.336493 (E_RNA)
where:
Base-Base interactions energy: -1112.342
where: short stacking energy: -470.943
Base-Backbone interact. energy: -1.787
local terms energy: -516.207706
where:
bonds (distance) C4'-P energy: -89.082
bonds (distance) P-C4' energy: -90.862
flat angles C4'-P-C4' energy: -112.905
flat angles P-C4'-P energy: -76.699
tors. eta vs tors. theta energy: -146.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1524.374299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.374299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.374299 (E_RNA)
where:
Base-Base interactions energy: -1026.697
where: short stacking energy: -434.888
Base-Backbone interact. energy: -2.860
local terms energy: -494.816963
where:
bonds (distance) C4'-P energy: -92.555
bonds (distance) P-C4' energy: -99.797
flat angles C4'-P-C4' energy: -102.981
flat angles P-C4'-P energy: -74.746
tors. eta vs tors. theta energy: -124.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1438.224957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.224957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.224957 (E_RNA)
where:
Base-Base interactions energy: -985.919
where: short stacking energy: -442.695
Base-Backbone interact. energy: 1.247
local terms energy: -453.553424
where:
bonds (distance) C4'-P energy: -96.266
bonds (distance) P-C4' energy: -91.071
flat angles C4'-P-C4' energy: -103.524
flat angles P-C4'-P energy: -47.445
tors. eta vs tors. theta energy: -115.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1295.670229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.670229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.670229 (E_RNA)
where:
Base-Base interactions energy: -896.080
where: short stacking energy: -363.432
Base-Backbone interact. energy: -1.939
local terms energy: -397.650726
where:
bonds (distance) C4'-P energy: -99.027
bonds (distance) P-C4' energy: -81.193
flat angles C4'-P-C4' energy: -81.316
flat angles P-C4'-P energy: -51.812
tors. eta vs tors. theta energy: -84.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1173.232410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.232410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.232410 (E_RNA)
where:
Base-Base interactions energy: -804.373
where: short stacking energy: -333.042
Base-Backbone interact. energy: 1.643
local terms energy: -370.502617
where:
bonds (distance) C4'-P energy: -77.381
bonds (distance) P-C4' energy: -86.591
flat angles C4'-P-C4' energy: -91.363
flat angles P-C4'-P energy: -47.301
tors. eta vs tors. theta energy: -67.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -891.876173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.876173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.876173 (E_RNA)
where:
Base-Base interactions energy: -560.357
where: short stacking energy: -267.305
Base-Backbone interact. energy: 2.515
local terms energy: -334.034111
where:
bonds (distance) C4'-P energy: -85.976
bonds (distance) P-C4' energy: -86.359
flat angles C4'-P-C4' energy: -89.114
flat angles P-C4'-P energy: -43.335
tors. eta vs tors. theta energy: -29.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -580.863273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.863273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.863273 (E_RNA)
where:
Base-Base interactions energy: -282.566
where: short stacking energy: -176.435
Base-Backbone interact. energy: -1.795
local terms energy: -296.502312
where:
bonds (distance) C4'-P energy: -77.444
bonds (distance) P-C4' energy: -87.321
flat angles C4'-P-C4' energy: -77.496
flat angles P-C4'-P energy: -39.761
tors. eta vs tors. theta energy: -14.481
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: 1, replica: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1901.094826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.094826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.094826 (E_RNA)
where:
Base-Base interactions energy: -1345.974
where: short stacking energy: -551.910
Base-Backbone interact. energy: -3.261
local terms energy: -551.860104
where:
bonds (distance) C4'-P energy: -96.131
bonds (distance) P-C4' energy: -114.885
flat angles C4'-P-C4' energy: -118.922
flat angles P-C4'-P energy: -67.693
tors. eta vs tors. theta energy: -154.230
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: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1810.400643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.400643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.400643 (E_RNA)
where:
Base-Base interactions energy: -1272.317
where: short stacking energy: -512.700
Base-Backbone interact. energy: -2.530
local terms energy: -535.553691
where:
bonds (distance) C4'-P energy: -101.107
bonds (distance) P-C4' energy: -101.172
flat angles C4'-P-C4' energy: -114.428
flat angles P-C4'-P energy: -79.755
tors. eta vs tors. theta energy: -139.092
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: 329
Temperature: 1.000000
Total energy: -1749.424848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.424848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.424848 (E_RNA)
where:
Base-Base interactions energy: -1240.755
where: short stacking energy: -498.095
Base-Backbone interact. energy: 5.379
local terms energy: -514.048777
where:
bonds (distance) C4'-P energy: -91.595
bonds (distance) P-C4' energy: -94.586
flat angles C4'-P-C4' energy: -111.409
flat angles P-C4'-P energy: -77.947
tors. eta vs tors. theta energy: -138.511
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: 329
Temperature: 1.050000
Total energy: -1595.647335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.647335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.647335 (E_RNA)
where:
Base-Base interactions energy: -1124.433
where: short stacking energy: -486.199
Base-Backbone interact. energy: -1.717
local terms energy: -469.497562
where:
bonds (distance) C4'-P energy: -73.605
bonds (distance) P-C4' energy: -100.327
flat angles C4'-P-C4' energy: -111.850
flat angles P-C4'-P energy: -67.626
tors. eta vs tors. theta energy: -116.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1553.262647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.262647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.262647 (E_RNA)
where:
Base-Base interactions energy: -1073.297
where: short stacking energy: -461.043
Base-Backbone interact. energy: -1.937
local terms energy: -478.029496
where:
bonds (distance) C4'-P energy: -84.470
bonds (distance) P-C4' energy: -97.383
flat angles C4'-P-C4' energy: -106.398
flat angles P-C4'-P energy: -64.993
tors. eta vs tors. theta energy: -124.785
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: 5
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1444.651939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.651939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.651939 (E_RNA)
where:
Base-Base interactions energy: -1000.088
where: short stacking energy: -424.633
Base-Backbone interact. energy: 2.970
local terms energy: -447.533182
where:
bonds (distance) C4'-P energy: -87.515
bonds (distance) P-C4' energy: -95.306
flat angles C4'-P-C4' energy: -97.049
flat angles P-C4'-P energy: -57.032
tors. eta vs tors. theta energy: -110.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1295.681131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.681131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.681131 (E_RNA)
where:
Base-Base interactions energy: -888.870
where: short stacking energy: -378.903
Base-Backbone interact. energy: -2.679
local terms energy: -404.131716
where:
bonds (distance) C4'-P energy: -72.741
bonds (distance) P-C4' energy: -81.955
flat angles C4'-P-C4' energy: -88.058
flat angles P-C4'-P energy: -66.642
tors. eta vs tors. theta energy: -94.735
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: 7
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1204.680678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.680678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.680678 (E_RNA)
where:
Base-Base interactions energy: -818.679
where: short stacking energy: -354.863
Base-Backbone interact. energy: -1.814
local terms energy: -384.187132
where:
bonds (distance) C4'-P energy: -69.983
bonds (distance) P-C4' energy: -93.918
flat angles C4'-P-C4' energy: -95.192
flat angles P-C4'-P energy: -46.891
tors. eta vs tors. theta energy: -78.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -931.989626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.989626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.989626 (E_RNA)
where:
Base-Base interactions energy: -576.458
where: short stacking energy: -273.202
Base-Backbone interact. energy: 1.344
local terms energy: -356.876176
where:
bonds (distance) C4'-P energy: -71.481
bonds (distance) P-C4' energy: -91.201
flat angles C4'-P-C4' energy: -78.897
flat angles P-C4'-P energy: -63.610
tors. eta vs tors. theta energy: -51.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -583.351338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.351338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.351338 (E_RNA)
where:
Base-Base interactions energy: -286.256
where: short stacking energy: -140.246
Base-Backbone interact. energy: -0.739
local terms energy: -296.355606
where:
bonds (distance) C4'-P energy: -81.652
bonds (distance) P-C4' energy: -79.109
flat angles C4'-P-C4' energy: -75.767
flat angles P-C4'-P energy: -51.212
tors. eta vs tors. theta energy: -8.616
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: 330
Temperature: 0.900000
Total energy: -1902.933923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.933923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.933923 (E_RNA)
where:
Base-Base interactions energy: -1350.488
where: short stacking energy: -543.748
Base-Backbone interact. energy: -3.210
local terms energy: -549.236041
where:
bonds (distance) C4'-P energy: -101.073
bonds (distance) P-C4' energy: -110.589
flat angles C4'-P-C4' energy: -113.421
flat angles P-C4'-P energy: -70.867
tors. eta vs tors. theta energy: -153.287
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: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1777.913801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.913801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.913801 (E_RNA)
where:
Base-Base interactions energy: -1241.147
where: short stacking energy: -497.894
Base-Backbone interact. energy: -1.738
local terms energy: -535.028667
where:
bonds (distance) C4'-P energy: -93.134
bonds (distance) P-C4' energy: -95.715
flat angles C4'-P-C4' energy: -120.382
flat angles P-C4'-P energy: -81.018
tors. eta vs tors. theta energy: -144.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1765.123460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.123460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.123460 (E_RNA)
where:
Base-Base interactions energy: -1237.028
where: short stacking energy: -470.440
Base-Backbone interact. energy: -2.324
local terms energy: -525.771413
where:
bonds (distance) C4'-P energy: -97.076
bonds (distance) P-C4' energy: -103.252
flat angles C4'-P-C4' energy: -116.941
flat angles P-C4'-P energy: -69.760
tors. eta vs tors. theta energy: -138.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1570.544682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.544682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.544682 (E_RNA)
where:
Base-Base interactions energy: -1093.442
where: short stacking energy: -467.755
Base-Backbone interact. energy: 1.363
local terms energy: -478.465763
where:
bonds (distance) C4'-P energy: -97.553
bonds (distance) P-C4' energy: -85.471
flat angles C4'-P-C4' energy: -115.991
flat angles P-C4'-P energy: -64.882
tors. eta vs tors. theta energy: -114.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1543.880638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.880638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.880638 (E_RNA)
where:
Base-Base interactions energy: -1048.878
where: short stacking energy: -482.808
Base-Backbone interact. energy: 6.318
local terms energy: -501.321365
where:
bonds (distance) C4'-P energy: -99.730
bonds (distance) P-C4' energy: -104.632
flat angles C4'-P-C4' energy: -108.032
flat angles P-C4'-P energy: -60.904
tors. eta vs tors. theta energy: -128.024
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: 5
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1465.834129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.834129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.834129 (E_RNA)
where:
Base-Base interactions energy: -992.398
where: short stacking energy: -430.283
Base-Backbone interact. energy: 1.355
local terms energy: -474.790966
where:
bonds (distance) C4'-P energy: -91.158
bonds (distance) P-C4' energy: -100.017
flat angles C4'-P-C4' energy: -105.190
flat angles P-C4'-P energy: -67.658
tors. eta vs tors. theta energy: -110.768
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: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1323.161427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.161427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.161427 (E_RNA)
where:
Base-Base interactions energy: -919.712
where: short stacking energy: -394.895
Base-Backbone interact. energy: -1.541
local terms energy: -401.907739
where:
bonds (distance) C4'-P energy: -84.372
bonds (distance) P-C4' energy: -85.039
flat angles C4'-P-C4' energy: -85.975
flat angles P-C4'-P energy: -57.563
tors. eta vs tors. theta energy: -88.959
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: 7
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1111.472298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.472298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.472298 (E_RNA)
where:
Base-Base interactions energy: -756.333
where: short stacking energy: -301.532
Base-Backbone interact. energy: 6.576
local terms energy: -361.715380
where:
bonds (distance) C4'-P energy: -86.949
bonds (distance) P-C4' energy: -69.663
flat angles C4'-P-C4' energy: -93.709
flat angles P-C4'-P energy: -55.574
tors. eta vs tors. theta energy: -55.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -945.701340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.701340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.701340 (E_RNA)
where:
Base-Base interactions energy: -579.179
where: short stacking energy: -282.257
Base-Backbone interact. energy: -1.480
local terms energy: -365.042971
where:
bonds (distance) C4'-P energy: -86.307
bonds (distance) P-C4' energy: -94.329
flat angles C4'-P-C4' energy: -88.809
flat angles P-C4'-P energy: -41.297
tors. eta vs tors. theta energy: -54.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -660.715426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.715426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.715426 (E_RNA)
where:
Base-Base interactions energy: -351.068
where: short stacking energy: -186.725
Base-Backbone interact. energy: 2.701
local terms energy: -312.348303
where:
bonds (distance) C4'-P energy: -84.678
bonds (distance) P-C4' energy: -99.032
flat angles C4'-P-C4' energy: -81.745
flat angles P-C4'-P energy: -44.299
tors. eta vs tors. theta energy: -2.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1898.362766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.362766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.362766 (E_RNA)
where:
Base-Base interactions energy: -1343.801
where: short stacking energy: -526.730
Base-Backbone interact. energy: -2.371
local terms energy: -552.191627
where:
bonds (distance) C4'-P energy: -96.597
bonds (distance) P-C4' energy: -108.720
flat angles C4'-P-C4' energy: -118.953
flat angles P-C4'-P energy: -80.286
tors. eta vs tors. theta energy: -147.635
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: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1779.087399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.087399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.087399 (E_RNA)
where:
Base-Base interactions energy: -1241.828
where: short stacking energy: -519.777
Base-Backbone interact. energy: -1.154
local terms energy: -536.104993
where:
bonds (distance) C4'-P energy: -100.559
bonds (distance) P-C4' energy: -95.560
flat angles C4'-P-C4' energy: -122.495
flat angles P-C4'-P energy: -78.076
tors. eta vs tors. theta energy: -139.415
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: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1756.146989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.146989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.146989 (E_RNA)
where:
Base-Base interactions energy: -1253.436
where: short stacking energy: -499.669
Base-Backbone interact. energy: -2.262
local terms energy: -500.448476
where:
bonds (distance) C4'-P energy: -97.634
bonds (distance) P-C4' energy: -96.458
flat angles C4'-P-C4' energy: -113.370
flat angles P-C4'-P energy: -62.354
tors. eta vs tors. theta energy: -130.632
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: 4, replica: 4
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1624.428798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.428798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.428798 (E_RNA)
where:
Base-Base interactions energy: -1125.670
where: short stacking energy: -474.465
Base-Backbone interact. energy: 3.824
local terms energy: -502.583094
where:
bonds (distance) C4'-P energy: -90.789
bonds (distance) P-C4' energy: -103.420
flat angles C4'-P-C4' energy: -101.492
flat angles P-C4'-P energy: -83.758
tors. eta vs tors. theta energy: -123.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1569.346231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.346231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.346231 (E_RNA)
where:
Base-Base interactions energy: -1072.333
where: short stacking energy: -465.899
Base-Backbone interact. energy: 0.641
local terms energy: -497.653718
where:
bonds (distance) C4'-P energy: -96.597
bonds (distance) P-C4' energy: -103.049
flat angles C4'-P-C4' energy: -103.561
flat angles P-C4'-P energy: -62.911
tors. eta vs tors. theta energy: -131.536
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: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1407.626949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.626949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.626949 (E_RNA)
where:
Base-Base interactions energy: -923.108
where: short stacking energy: -422.748
Base-Backbone interact. energy: -0.741
local terms energy: -483.778236
where:
bonds (distance) C4'-P energy: -98.402
bonds (distance) P-C4' energy: -89.862
flat angles C4'-P-C4' energy: -110.512
flat angles P-C4'-P energy: -77.283
tors. eta vs tors. theta energy: -107.719
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: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1390.959154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.959154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.959154 (E_RNA)
where:
Base-Base interactions energy: -925.849
where: short stacking energy: -405.475
Base-Backbone interact. energy: -1.993
local terms energy: -463.117592
where:
bonds (distance) C4'-P energy: -77.096
bonds (distance) P-C4' energy: -107.550
flat angles C4'-P-C4' energy: -95.306
flat angles P-C4'-P energy: -74.354
tors. eta vs tors. theta energy: -108.811
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: 7
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1165.915526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.915526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.915526 (E_RNA)
where:
Base-Base interactions energy: -758.522
where: short stacking energy: -326.385
Base-Backbone interact. energy: -1.468
local terms energy: -405.925686
where:
bonds (distance) C4'-P energy: -79.467
bonds (distance) P-C4' energy: -98.015
flat angles C4'-P-C4' energy: -87.754
flat angles P-C4'-P energy: -53.792
tors. eta vs tors. theta energy: -86.897
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: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -886.536279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.536279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.536279 (E_RNA)
where:
Base-Base interactions energy: -542.819
where: short stacking energy: -248.174
Base-Backbone interact. energy: -2.495
local terms energy: -341.222273
where:
bonds (distance) C4'-P energy: -88.214
bonds (distance) P-C4' energy: -92.630
flat angles C4'-P-C4' energy: -72.383
flat angles P-C4'-P energy: -47.441
tors. eta vs tors. theta energy: -40.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -658.305470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.305470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.305470 (E_RNA)
where:
Base-Base interactions energy: -365.590
where: short stacking energy: -176.896
Base-Backbone interact. energy: 0.752
local terms energy: -293.467493
where:
bonds (distance) C4'-P energy: -88.808
bonds (distance) P-C4' energy: -97.282
flat angles C4'-P-C4' energy: -64.558
flat angles P-C4'-P energy: -42.998
tors. eta vs tors. theta energy: 0.179
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: 332
Temperature: 0.900000
Total energy: -1902.016333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.016333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.016333 (E_RNA)
where:
Base-Base interactions energy: -1354.575
where: short stacking energy: -528.892
Base-Backbone interact. energy: -3.803
local terms energy: -543.638239
where:
bonds (distance) C4'-P energy: -90.455
bonds (distance) P-C4' energy: -103.796
flat angles C4'-P-C4' energy: -121.493
flat angles P-C4'-P energy: -81.087
tors. eta vs tors. theta energy: -146.807
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: 2, replica: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1776.802900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.802900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.802900 (E_RNA)
where:
Base-Base interactions energy: -1244.263
where: short stacking energy: -522.796
Base-Backbone interact. energy: -1.861
local terms energy: -530.678320
where:
bonds (distance) C4'-P energy: -89.754
bonds (distance) P-C4' energy: -100.641
flat angles C4'-P-C4' energy: -119.474
flat angles P-C4'-P energy: -72.959
tors. eta vs tors. theta energy: -147.851
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: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1747.443951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.443951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.443951 (E_RNA)
where:
Base-Base interactions energy: -1222.058
where: short stacking energy: -525.528
Base-Backbone interact. energy: 1.514
local terms energy: -526.899501
where:
bonds (distance) C4'-P energy: -102.617
bonds (distance) P-C4' energy: -96.772
flat angles C4'-P-C4' energy: -106.695
flat angles P-C4'-P energy: -76.391
tors. eta vs tors. theta energy: -144.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1631.311830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.311830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.311830 (E_RNA)
where:
Base-Base interactions energy: -1137.321
where: short stacking energy: -499.913
Base-Backbone interact. energy: 1.415
local terms energy: -495.406064
where:
bonds (distance) C4'-P energy: -83.167
bonds (distance) P-C4' energy: -97.745
flat angles C4'-P-C4' energy: -114.566
flat angles P-C4'-P energy: -70.869
tors. eta vs tors. theta energy: -129.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1570.358067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.358067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.358067 (E_RNA)
where:
Base-Base interactions energy: -1091.196
where: short stacking energy: -453.576
Base-Backbone interact. energy: -0.500
local terms energy: -478.661316
where:
bonds (distance) C4'-P energy: -89.677
bonds (distance) P-C4' energy: -84.779
flat angles C4'-P-C4' energy: -112.397
flat angles P-C4'-P energy: -60.656
tors. eta vs tors. theta energy: -131.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1374.964639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.964639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.964639 (E_RNA)
where:
Base-Base interactions energy: -931.458
where: short stacking energy: -401.985
Base-Backbone interact. energy: -2.385
local terms energy: -441.121003
where:
bonds (distance) C4'-P energy: -82.978
bonds (distance) P-C4' energy: -93.612
flat angles C4'-P-C4' energy: -98.897
flat angles P-C4'-P energy: -69.420
tors. eta vs tors. theta energy: -96.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1411.743011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.743011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.743011 (E_RNA)
where:
Base-Base interactions energy: -995.445
where: short stacking energy: -438.468
Base-Backbone interact. energy: 2.651
local terms energy: -418.949861
where:
bonds (distance) C4'-P energy: -89.236
bonds (distance) P-C4' energy: -73.922
flat angles C4'-P-C4' energy: -84.503
flat angles P-C4'-P energy: -55.486
tors. eta vs tors. theta energy: -115.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1207.370438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.370438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.370438 (E_RNA)
where:
Base-Base interactions energy: -803.065
where: short stacking energy: -338.781
Base-Backbone interact. energy: -3.292
local terms energy: -401.013234
where:
bonds (distance) C4'-P energy: -92.978
bonds (distance) P-C4' energy: -97.061
flat angles C4'-P-C4' energy: -84.628
flat angles P-C4'-P energy: -52.718
tors. eta vs tors. theta energy: -73.628
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: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -858.394522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.394522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.394522 (E_RNA)
where:
Base-Base interactions energy: -501.578
where: short stacking energy: -219.751
Base-Backbone interact. energy: 0.037
local terms energy: -356.853910
where:
bonds (distance) C4'-P energy: -84.535
bonds (distance) P-C4' energy: -89.666
flat angles C4'-P-C4' energy: -93.185
flat angles P-C4'-P energy: -52.893
tors. eta vs tors. theta energy: -36.575
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: 332
Temperature: 1.350000
Total energy: -663.955714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.955714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.955714 (E_RNA)
where:
Base-Base interactions energy: -359.008
where: short stacking energy: -189.329
Base-Backbone interact. energy: -3.548
local terms energy: -301.399788
where:
bonds (distance) C4'-P energy: -76.503
bonds (distance) P-C4' energy: -84.131
flat angles C4'-P-C4' energy: -86.003
flat angles P-C4'-P energy: -48.703
tors. eta vs tors. theta energy: -6.059
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: 333
Temperature: 0.900000
Total energy: -1890.881460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.881460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.881460 (E_RNA)
where:
Base-Base interactions energy: -1317.976
where: short stacking energy: -549.495
Base-Backbone interact. energy: -3.206
local terms energy: -569.699875
where:
bonds (distance) C4'-P energy: -87.958
bonds (distance) P-C4' energy: -114.108
flat angles C4'-P-C4' energy: -130.896
flat angles P-C4'-P energy: -81.353
tors. eta vs tors. theta energy: -155.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1785.408852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.408852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.408852 (E_RNA)
where:
Base-Base interactions energy: -1260.102
where: short stacking energy: -522.255
Base-Backbone interact. energy: -0.695
local terms energy: -524.611807
where:
bonds (distance) C4'-P energy: -95.135
bonds (distance) P-C4' energy: -103.011
flat angles C4'-P-C4' energy: -114.293
flat angles P-C4'-P energy: -76.559
tors. eta vs tors. theta energy: -135.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1775.927159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.927159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.927159 (E_RNA)
where:
Base-Base interactions energy: -1224.495
where: short stacking energy: -502.502
Base-Backbone interact. energy: -2.508
local terms energy: -548.924344
where:
bonds (distance) C4'-P energy: -105.588
bonds (distance) P-C4' energy: -98.626
flat angles C4'-P-C4' energy: -115.708
flat angles P-C4'-P energy: -86.346
tors. eta vs tors. theta energy: -142.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1625.860951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.860951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.860951 (E_RNA)
where:
Base-Base interactions energy: -1135.575
where: short stacking energy: -463.376
Base-Backbone interact. energy: -1.016
local terms energy: -489.269975
where:
bonds (distance) C4'-P energy: -101.230
bonds (distance) P-C4' energy: -93.875
flat angles C4'-P-C4' energy: -106.650
flat angles P-C4'-P energy: -65.452
tors. eta vs tors. theta energy: -122.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1572.206636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.206636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.206636 (E_RNA)
where:
Base-Base interactions energy: -1067.478
where: short stacking energy: -477.714
Base-Backbone interact. energy: 0.645
local terms energy: -505.374197
where:
bonds (distance) C4'-P energy: -95.728
bonds (distance) P-C4' energy: -99.859
flat angles C4'-P-C4' energy: -104.734
flat angles P-C4'-P energy: -70.715
tors. eta vs tors. theta energy: -134.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1472.235052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.235052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.235052 (E_RNA)
where:
Base-Base interactions energy: -1035.072
where: short stacking energy: -449.577
Base-Backbone interact. energy: -1.497
local terms energy: -435.665692
where:
bonds (distance) C4'-P energy: -86.376
bonds (distance) P-C4' energy: -81.651
flat angles C4'-P-C4' energy: -102.195
flat angles P-C4'-P energy: -50.678
tors. eta vs tors. theta energy: -114.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1318.858628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.858628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.858628 (E_RNA)
where:
Base-Base interactions energy: -878.572
where: short stacking energy: -385.730
Base-Backbone interact. energy: -0.885
local terms energy: -439.401654
where:
bonds (distance) C4'-P energy: -95.145
bonds (distance) P-C4' energy: -95.358
flat angles C4'-P-C4' energy: -95.201
flat angles P-C4'-P energy: -65.423
tors. eta vs tors. theta energy: -88.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1143.269180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.269180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.269180 (E_RNA)
where:
Base-Base interactions energy: -745.957
where: short stacking energy: -316.354
Base-Backbone interact. energy: -2.458
local terms energy: -394.854636
where:
bonds (distance) C4'-P energy: -88.115
bonds (distance) P-C4' energy: -82.722
flat angles C4'-P-C4' energy: -88.413
flat angles P-C4'-P energy: -64.106
tors. eta vs tors. theta energy: -71.498
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: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -775.003746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.003746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.003746 (E_RNA)
where:
Base-Base interactions energy: -471.215
where: short stacking energy: -225.198
Base-Backbone interact. energy: 8.568
local terms energy: -312.357148
where:
bonds (distance) C4'-P energy: -84.217
bonds (distance) P-C4' energy: -71.056
flat angles C4'-P-C4' energy: -76.487
flat angles P-C4'-P energy: -47.330
tors. eta vs tors. theta energy: -33.267
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: 333
Temperature: 1.350000
Total energy: -646.882942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.882942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.882942 (E_RNA)
where:
Base-Base interactions energy: -347.457
where: short stacking energy: -166.374
Base-Backbone interact. energy: -2.921
local terms energy: -296.504532
where:
bonds (distance) C4'-P energy: -80.107
bonds (distance) P-C4' energy: -80.046
flat angles C4'-P-C4' energy: -86.122
flat angles P-C4'-P energy: -49.050
tors. eta vs tors. theta energy: -1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1877.409715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.409715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.409715 (E_RNA)
where:
Base-Base interactions energy: -1320.176
where: short stacking energy: -528.435
Base-Backbone interact. energy: -1.983
local terms energy: -555.250868
where:
bonds (distance) C4'-P energy: -108.865
bonds (distance) P-C4' energy: -110.688
flat angles C4'-P-C4' energy: -117.672
flat angles P-C4'-P energy: -71.179
tors. eta vs tors. theta energy: -146.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1817.765249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.765249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.765249 (E_RNA)
where:
Base-Base interactions energy: -1268.942
where: short stacking energy: -556.453
Base-Backbone interact. energy: -0.950
local terms energy: -547.872367
where:
bonds (distance) C4'-P energy: -98.646
bonds (distance) P-C4' energy: -102.311
flat angles C4'-P-C4' energy: -119.915
flat angles P-C4'-P energy: -74.431
tors. eta vs tors. theta energy: -152.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1759.995268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.995268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.995268 (E_RNA)
where:
Base-Base interactions energy: -1216.706
where: short stacking energy: -516.300
Base-Backbone interact. energy: -4.034
local terms energy: -539.254689
where:
bonds (distance) C4'-P energy: -104.873
bonds (distance) P-C4' energy: -102.875
flat angles C4'-P-C4' energy: -105.699
flat angles P-C4'-P energy: -82.755
tors. eta vs tors. theta energy: -143.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1613.382443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.382443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.382443 (E_RNA)
where:
Base-Base interactions energy: -1105.411
where: short stacking energy: -487.547
Base-Backbone interact. energy: -0.156
local terms energy: -507.815830
where:
bonds (distance) C4'-P energy: -96.528
bonds (distance) P-C4' energy: -94.578
flat angles C4'-P-C4' energy: -110.038
flat angles P-C4'-P energy: -75.830
tors. eta vs tors. theta energy: -130.841
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: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1545.016653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.016653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.016653 (E_RNA)
where:
Base-Base interactions energy: -1071.777
where: short stacking energy: -448.866
Base-Backbone interact. energy: -3.105
local terms energy: -470.134401
where:
bonds (distance) C4'-P energy: -98.642
bonds (distance) P-C4' energy: -84.707
flat angles C4'-P-C4' energy: -98.448
flat angles P-C4'-P energy: -63.914
tors. eta vs tors. theta energy: -124.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1437.811907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.811907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.811907 (E_RNA)
where:
Base-Base interactions energy: -985.171
where: short stacking energy: -410.753
Base-Backbone interact. energy: -0.291
local terms energy: -452.349929
where:
bonds (distance) C4'-P energy: -90.342
bonds (distance) P-C4' energy: -90.237
flat angles C4'-P-C4' energy: -106.226
flat angles P-C4'-P energy: -66.559
tors. eta vs tors. theta energy: -98.986
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: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1279.872927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.872927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.872927 (E_RNA)
where:
Base-Base interactions energy: -857.471
where: short stacking energy: -355.503
Base-Backbone interact. energy: -0.081
local terms energy: -422.320574
where:
bonds (distance) C4'-P energy: -93.597
bonds (distance) P-C4' energy: -90.609
flat angles C4'-P-C4' energy: -92.535
flat angles P-C4'-P energy: -62.835
tors. eta vs tors. theta energy: -82.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1030.541365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.541365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.541365 (E_RNA)
where:
Base-Base interactions energy: -687.498
where: short stacking energy: -295.231
Base-Backbone interact. energy: -2.125
local terms energy: -340.918370
where:
bonds (distance) C4'-P energy: -68.892
bonds (distance) P-C4' energy: -76.255
flat angles C4'-P-C4' energy: -74.045
flat angles P-C4'-P energy: -78.756
tors. eta vs tors. theta energy: -42.970
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: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -831.514860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.514860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.514860 (E_RNA)
where:
Base-Base interactions energy: -473.718
where: short stacking energy: -243.770
Base-Backbone interact. energy: 1.211
local terms energy: -359.007223
where:
bonds (distance) C4'-P energy: -85.542
bonds (distance) P-C4' energy: -106.756
flat angles C4'-P-C4' energy: -75.360
flat angles P-C4'-P energy: -53.368
tors. eta vs tors. theta energy: -37.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -646.336099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.336099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.336099 (E_RNA)
where:
Base-Base interactions energy: -356.082
where: short stacking energy: -216.446
Base-Backbone interact. energy: 1.054
local terms energy: -291.307706
where:
bonds (distance) C4'-P energy: -83.878
bonds (distance) P-C4' energy: -78.648
flat angles C4'-P-C4' energy: -64.224
flat angles P-C4'-P energy: -42.535
tors. eta vs tors. theta energy: -22.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1894.738064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.738064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.738064 (E_RNA)
where:
Base-Base interactions energy: -1352.268
where: short stacking energy: -556.559
Base-Backbone interact. energy: -3.040
local terms energy: -539.429729
where:
bonds (distance) C4'-P energy: -90.711
bonds (distance) P-C4' energy: -105.003
flat angles C4'-P-C4' energy: -119.451
flat angles P-C4'-P energy: -78.173
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: 2, replica: 3
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1844.063040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.063040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.063040 (E_RNA)
where:
Base-Base interactions energy: -1305.258
where: short stacking energy: -537.558
Base-Backbone interact. energy: -0.123
local terms energy: -538.682110
where:
bonds (distance) C4'-P energy: -93.376
bonds (distance) P-C4' energy: -105.126
flat angles C4'-P-C4' energy: -114.559
flat angles P-C4'-P energy: -75.590
tors. eta vs tors. theta energy: -150.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1762.210579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.210579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.210579 (E_RNA)
where:
Base-Base interactions energy: -1219.847
where: short stacking energy: -511.821
Base-Backbone interact. energy: -2.253
local terms energy: -540.111204
where:
bonds (distance) C4'-P energy: -91.245
bonds (distance) P-C4' energy: -95.273
flat angles C4'-P-C4' energy: -125.308
flat angles P-C4'-P energy: -86.077
tors. eta vs tors. theta energy: -142.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1614.177392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.177392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.177392 (E_RNA)
where:
Base-Base interactions energy: -1118.858
where: short stacking energy: -499.394
Base-Backbone interact. energy: -0.405
local terms energy: -494.913948
where:
bonds (distance) C4'-P energy: -83.298
bonds (distance) P-C4' energy: -93.137
flat angles C4'-P-C4' energy: -107.264
flat angles P-C4'-P energy: -76.781
tors. eta vs tors. theta energy: -134.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1549.792145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.792145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.792145 (E_RNA)
where:
Base-Base interactions energy: -1054.966
where: short stacking energy: -466.371
Base-Backbone interact. energy: 0.536
local terms energy: -495.362148
where:
bonds (distance) C4'-P energy: -85.939
bonds (distance) P-C4' energy: -112.966
flat angles C4'-P-C4' energy: -97.118
flat angles P-C4'-P energy: -70.081
tors. eta vs tors. theta energy: -129.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1434.910698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.910698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.910698 (E_RNA)
where:
Base-Base interactions energy: -988.073
where: short stacking energy: -414.935
Base-Backbone interact. energy: -0.230
local terms energy: -446.607799
where:
bonds (distance) C4'-P energy: -78.085
bonds (distance) P-C4' energy: -115.783
flat angles C4'-P-C4' energy: -95.723
flat angles P-C4'-P energy: -63.802
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: 7, replica: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1251.982592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.982592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.982592 (E_RNA)
where:
Base-Base interactions energy: -835.287
where: short stacking energy: -372.835
Base-Backbone interact. energy: -0.952
local terms energy: -415.744212
where:
bonds (distance) C4'-P energy: -79.705
bonds (distance) P-C4' energy: -94.965
flat angles C4'-P-C4' energy: -96.113
flat angles P-C4'-P energy: -52.583
tors. eta vs tors. theta energy: -92.378
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: 7
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1066.172616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.172616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.172616 (E_RNA)
where:
Base-Base interactions energy: -681.897
where: short stacking energy: -315.996
Base-Backbone interact. energy: 0.651
local terms energy: -384.927247
where:
bonds (distance) C4'-P energy: -79.459
bonds (distance) P-C4' energy: -84.481
flat angles C4'-P-C4' energy: -93.067
flat angles P-C4'-P energy: -66.074
tors. eta vs tors. theta energy: -61.846
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: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -811.501804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.501804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.501804 (E_RNA)
where:
Base-Base interactions energy: -489.659
where: short stacking energy: -249.808
Base-Backbone interact. energy: -2.058
local terms energy: -319.784650
where:
bonds (distance) C4'-P energy: -94.464
bonds (distance) P-C4' energy: -70.854
flat angles C4'-P-C4' energy: -71.094
flat angles P-C4'-P energy: -57.529
tors. eta vs tors. theta energy: -25.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -614.773577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.773577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.773577 (E_RNA)
where:
Base-Base interactions energy: -329.303
where: short stacking energy: -175.801
Base-Backbone interact. energy: 0.950
local terms energy: -286.420088
where:
bonds (distance) C4'-P energy: -85.412
bonds (distance) P-C4' energy: -89.334
flat angles C4'-P-C4' energy: -78.808
flat angles P-C4'-P energy: -33.013
tors. eta vs tors. theta energy: 0.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1884.943309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.943309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.943309 (E_RNA)
where:
Base-Base interactions energy: -1323.422
where: short stacking energy: -525.047
Base-Backbone interact. energy: -1.503
local terms energy: -560.018520
where:
bonds (distance) C4'-P energy: -113.292
bonds (distance) P-C4' energy: -107.773
flat angles C4'-P-C4' energy: -112.085
flat angles P-C4'-P energy: -81.419
tors. eta vs tors. theta energy: -145.448
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: 3
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1794.603905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.603905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.603905 (E_RNA)
where:
Base-Base interactions energy: -1266.898
where: short stacking energy: -516.610
Base-Backbone interact. energy: 0.502
local terms energy: -528.208809
where:
bonds (distance) C4'-P energy: -99.252
bonds (distance) P-C4' energy: -102.466
flat angles C4'-P-C4' energy: -111.180
flat angles P-C4'-P energy: -83.090
tors. eta vs tors. theta energy: -132.220
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: 3, replica: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1754.232512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.232512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.232512 (E_RNA)
where:
Base-Base interactions energy: -1216.315
where: short stacking energy: -506.867
Base-Backbone interact. energy: 0.184
local terms energy: -538.101513
where:
bonds (distance) C4'-P energy: -88.370
bonds (distance) P-C4' energy: -106.886
flat angles C4'-P-C4' energy: -109.885
flat angles P-C4'-P energy: -80.267
tors. eta vs tors. theta energy: -152.694
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: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1604.196031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.196031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.196031 (E_RNA)
where:
Base-Base interactions energy: -1104.367
where: short stacking energy: -455.889
Base-Backbone interact. energy: -1.302
local terms energy: -498.527316
where:
bonds (distance) C4'-P energy: -95.430
bonds (distance) P-C4' energy: -91.242
flat angles C4'-P-C4' energy: -114.356
flat angles P-C4'-P energy: -63.872
tors. eta vs tors. theta energy: -133.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1535.140757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.140757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.140757 (E_RNA)
where:
Base-Base interactions energy: -1062.211
where: short stacking energy: -443.013
Base-Backbone interact. energy: 0.102
local terms energy: -473.031560
where:
bonds (distance) C4'-P energy: -90.534
bonds (distance) P-C4' energy: -86.784
flat angles C4'-P-C4' energy: -107.705
flat angles P-C4'-P energy: -57.411
tors. eta vs tors. theta energy: -130.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1479.576879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.576879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.576879 (E_RNA)
where:
Base-Base interactions energy: -1039.029
where: short stacking energy: -443.654
Base-Backbone interact. energy: -1.653
local terms energy: -438.895599
where:
bonds (distance) C4'-P energy: -82.180
bonds (distance) P-C4' energy: -85.622
flat angles C4'-P-C4' energy: -92.925
flat angles P-C4'-P energy: -61.941
tors. eta vs tors. theta energy: -116.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1312.869800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.869800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.869800 (E_RNA)
where:
Base-Base interactions energy: -871.116
where: short stacking energy: -369.022
Base-Backbone interact. energy: -3.949
local terms energy: -437.804278
where:
bonds (distance) C4'-P energy: -79.765
bonds (distance) P-C4' energy: -92.955
flat angles C4'-P-C4' energy: -98.335
flat angles P-C4'-P energy: -76.670
tors. eta vs tors. theta energy: -90.079
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: 7
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1109.415218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.415218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.415218 (E_RNA)
where:
Base-Base interactions energy: -709.023
where: short stacking energy: -304.066
Base-Backbone interact. energy: -2.249
local terms energy: -398.142744
where:
bonds (distance) C4'-P energy: -93.245
bonds (distance) P-C4' energy: -95.126
flat angles C4'-P-C4' energy: -110.243
flat angles P-C4'-P energy: -46.301
tors. eta vs tors. theta energy: -53.228
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: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -801.980090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.980090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.980090 (E_RNA)
where:
Base-Base interactions energy: -475.887
where: short stacking energy: -223.555
Base-Backbone interact. energy: 1.652
local terms energy: -327.745648
where:
bonds (distance) C4'-P energy: -76.649
bonds (distance) P-C4' energy: -93.426
flat angles C4'-P-C4' energy: -80.669
flat angles P-C4'-P energy: -50.969
tors. eta vs tors. theta energy: -26.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -601.861488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.861488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.861488 (E_RNA)
where:
Base-Base interactions energy: -344.370
where: short stacking energy: -193.066
Base-Backbone interact. energy: -2.653
local terms energy: -254.838667
where:
bonds (distance) C4'-P energy: -74.234
bonds (distance) P-C4' energy: -85.170
flat angles C4'-P-C4' energy: -61.020
flat angles P-C4'-P energy: -40.056
tors. eta vs tors. theta energy: 5.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1904.690503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.690503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.690503 (E_RNA)
where:
Base-Base interactions energy: -1348.853
where: short stacking energy: -538.944
Base-Backbone interact. energy: -3.078
local terms energy: -552.759670
where:
bonds (distance) C4'-P energy: -89.078
bonds (distance) P-C4' energy: -110.725
flat angles C4'-P-C4' energy: -124.360
flat angles P-C4'-P energy: -77.209
tors. eta vs tors. theta energy: -151.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1807.719699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.719699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.719699 (E_RNA)
where:
Base-Base interactions energy: -1252.053
where: short stacking energy: -504.454
Base-Backbone interact. energy: -0.039
local terms energy: -555.627149
where:
bonds (distance) C4'-P energy: -105.538
bonds (distance) P-C4' energy: -105.565
flat angles C4'-P-C4' energy: -116.046
flat angles P-C4'-P energy: -84.578
tors. eta vs tors. theta energy: -143.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1772.544730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.544730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.544730 (E_RNA)
where:
Base-Base interactions energy: -1229.084
where: short stacking energy: -519.669
Base-Backbone interact. energy: -4.286
local terms energy: -539.175262
where:
bonds (distance) C4'-P energy: -103.733
bonds (distance) P-C4' energy: -95.397
flat angles C4'-P-C4' energy: -114.316
flat angles P-C4'-P energy: -79.529
tors. eta vs tors. theta energy: -146.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1605.314343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.314343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.314343 (E_RNA)
where:
Base-Base interactions energy: -1136.688
where: short stacking energy: -481.979
Base-Backbone interact. energy: 1.522
local terms energy: -470.147833
where:
bonds (distance) C4'-P energy: -77.041
bonds (distance) P-C4' energy: -95.739
flat angles C4'-P-C4' energy: -103.276
flat angles P-C4'-P energy: -74.369
tors. eta vs tors. theta energy: -119.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1534.174312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.174312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.174312 (E_RNA)
where:
Base-Base interactions energy: -1030.319
where: short stacking energy: -443.460
Base-Backbone interact. energy: -2.750
local terms energy: -501.105598
where:
bonds (distance) C4'-P energy: -97.855
bonds (distance) P-C4' energy: -92.813
flat angles C4'-P-C4' energy: -112.342
flat angles P-C4'-P energy: -80.963
tors. eta vs tors. theta energy: -117.133
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: 6, replica: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1500.231918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.231918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.231918 (E_RNA)
where:
Base-Base interactions energy: -1018.760
where: short stacking energy: -440.476
Base-Backbone interact. energy: -1.885
local terms energy: -479.587039
where:
bonds (distance) C4'-P energy: -95.079
bonds (distance) P-C4' energy: -94.718
flat angles C4'-P-C4' energy: -117.731
flat angles P-C4'-P energy: -59.590
tors. eta vs tors. theta energy: -112.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1286.514116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.514116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.514116 (E_RNA)
where:
Base-Base interactions energy: -866.530
where: short stacking energy: -389.640
Base-Backbone interact. energy: 0.995
local terms energy: -420.978733
where:
bonds (distance) C4'-P energy: -94.245
bonds (distance) P-C4' energy: -75.119
flat angles C4'-P-C4' energy: -99.773
flat angles P-C4'-P energy: -65.192
tors. eta vs tors. theta energy: -86.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1180.956580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.956580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.956580 (E_RNA)
where:
Base-Base interactions energy: -799.357
where: short stacking energy: -357.936
Base-Backbone interact. energy: 0.674
local terms energy: -382.273325
where:
bonds (distance) C4'-P energy: -88.192
bonds (distance) P-C4' energy: -73.549
flat angles C4'-P-C4' energy: -96.941
flat angles P-C4'-P energy: -46.743
tors. eta vs tors. theta energy: -76.848
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: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -783.979488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.979488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.979488 (E_RNA)
where:
Base-Base interactions energy: -463.360
where: short stacking energy: -207.625
Base-Backbone interact. energy: 0.178
local terms energy: -320.798185
where:
bonds (distance) C4'-P energy: -89.028
bonds (distance) P-C4' energy: -87.840
flat angles C4'-P-C4' energy: -78.566
flat angles P-C4'-P energy: -62.472
tors. eta vs tors. theta energy: -2.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -605.090579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.090579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.090579 (E_RNA)
where:
Base-Base interactions energy: -329.390
where: short stacking energy: -181.509
Base-Backbone interact. energy: 2.829
local terms energy: -278.528967
where:
bonds (distance) C4'-P energy: -76.412
bonds (distance) P-C4' energy: -75.169
flat angles C4'-P-C4' energy: -73.835
flat angles P-C4'-P energy: -48.661
tors. eta vs tors. theta energy: -4.453
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: 338
Temperature: 0.900000
Total energy: -1878.209921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.209921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.209921 (E_RNA)
where:
Base-Base interactions energy: -1333.846
where: short stacking energy: -519.872
Base-Backbone interact. energy: -3.163
local terms energy: -541.201527
where:
bonds (distance) C4'-P energy: -97.455
bonds (distance) P-C4' energy: -105.838
flat angles C4'-P-C4' energy: -115.605
flat angles P-C4'-P energy: -80.424
tors. eta vs tors. theta energy: -141.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1797.094622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.094622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.094622 (E_RNA)
where:
Base-Base interactions energy: -1276.200
where: short stacking energy: -528.294
Base-Backbone interact. energy: -4.853
local terms energy: -516.042107
where:
bonds (distance) C4'-P energy: -94.155
bonds (distance) P-C4' energy: -97.747
flat angles C4'-P-C4' energy: -106.580
flat angles P-C4'-P energy: -77.989
tors. eta vs tors. theta energy: -139.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1765.243696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.243696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.243696 (E_RNA)
where:
Base-Base interactions energy: -1234.349
where: short stacking energy: -536.761
Base-Backbone interact. energy: -4.041
local terms energy: -526.853582
where:
bonds (distance) C4'-P energy: -98.560
bonds (distance) P-C4' energy: -96.097
flat angles C4'-P-C4' energy: -114.775
flat angles P-C4'-P energy: -67.743
tors. eta vs tors. theta energy: -149.679
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: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1614.347589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.347589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.347589 (E_RNA)
where:
Base-Base interactions energy: -1118.349
where: short stacking energy: -479.907
Base-Backbone interact. energy: -0.977
local terms energy: -495.021464
where:
bonds (distance) C4'-P energy: -91.411
bonds (distance) P-C4' energy: -94.201
flat angles C4'-P-C4' energy: -115.318
flat angles P-C4'-P energy: -69.945
tors. eta vs tors. theta energy: -124.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1544.453674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.453674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.453674 (E_RNA)
where:
Base-Base interactions energy: -1059.343
where: short stacking energy: -443.103
Base-Backbone interact. energy: -0.759
local terms energy: -484.351746
where:
bonds (distance) C4'-P energy: -81.479
bonds (distance) P-C4' energy: -98.844
flat angles C4'-P-C4' energy: -104.932
flat angles P-C4'-P energy: -81.194
tors. eta vs tors. theta energy: -117.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1436.843963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.843963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.843963 (E_RNA)
where:
Base-Base interactions energy: -970.710
where: short stacking energy: -413.975
Base-Backbone interact. energy: -2.919
local terms energy: -463.214530
where:
bonds (distance) C4'-P energy: -83.000
bonds (distance) P-C4' energy: -109.080
flat angles C4'-P-C4' energy: -102.903
flat angles P-C4'-P energy: -65.993
tors. eta vs tors. theta energy: -102.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1276.786529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.786529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.786529 (E_RNA)
where:
Base-Base interactions energy: -865.376
where: short stacking energy: -373.658
Base-Backbone interact. energy: -0.435
local terms energy: -410.974999
where:
bonds (distance) C4'-P energy: -70.391
bonds (distance) P-C4' energy: -96.347
flat angles C4'-P-C4' energy: -92.431
flat angles P-C4'-P energy: -50.284
tors. eta vs tors. theta energy: -101.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1200.689190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.689190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.689190 (E_RNA)
where:
Base-Base interactions energy: -789.662
where: short stacking energy: -331.662
Base-Backbone interact. energy: 0.071
local terms energy: -411.099075
where:
bonds (distance) C4'-P energy: -89.726
bonds (distance) P-C4' energy: -91.258
flat angles C4'-P-C4' energy: -99.771
flat angles P-C4'-P energy: -62.852
tors. eta vs tors. theta energy: -67.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -801.744959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.744959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.744959 (E_RNA)
where:
Base-Base interactions energy: -489.090
where: short stacking energy: -238.271
Base-Backbone interact. energy: 3.225
local terms energy: -315.879957
where:
bonds (distance) C4'-P energy: -72.877
bonds (distance) P-C4' energy: -89.623
flat angles C4'-P-C4' energy: -80.880
flat angles P-C4'-P energy: -39.575
tors. eta vs tors. theta energy: -32.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -636.611304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.611304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.611304 (E_RNA)
where:
Base-Base interactions energy: -331.250
where: short stacking energy: -183.887
Base-Backbone interact. energy: 7.157
local terms energy: -312.518527
where:
bonds (distance) C4'-P energy: -95.595
bonds (distance) P-C4' energy: -96.177
flat angles C4'-P-C4' energy: -76.411
flat angles P-C4'-P energy: -34.590
tors. eta vs tors. theta energy: -9.746
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: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1885.702159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.702159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.702159 (E_RNA)
where:
Base-Base interactions energy: -1323.730
where: short stacking energy: -540.998
Base-Backbone interact. energy: -3.080
local terms energy: -558.892002
where:
bonds (distance) C4'-P energy: -109.762
bonds (distance) P-C4' energy: -106.868
flat angles C4'-P-C4' energy: -120.759
flat angles P-C4'-P energy: -77.483
tors. eta vs tors. theta energy: -144.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1811.356663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.356663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.356663 (E_RNA)
where:
Base-Base interactions energy: -1278.752
where: short stacking energy: -529.677
Base-Backbone interact. energy: -3.126
local terms energy: -529.478086
where:
bonds (distance) C4'-P energy: -108.078
bonds (distance) P-C4' energy: -93.033
flat angles C4'-P-C4' energy: -104.278
flat angles P-C4'-P energy: -73.475
tors. eta vs tors. theta energy: -150.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1745.254713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.254713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.254713 (E_RNA)
where:
Base-Base interactions energy: -1221.786
where: short stacking energy: -511.349
Base-Backbone interact. energy: -1.044
local terms energy: -522.424712
where:
bonds (distance) C4'-P energy: -91.743
bonds (distance) P-C4' energy: -96.937
flat angles C4'-P-C4' energy: -111.183
flat angles P-C4'-P energy: -82.455
tors. eta vs tors. theta energy: -140.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1585.574049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.574049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.574049 (E_RNA)
where:
Base-Base interactions energy: -1102.552
where: short stacking energy: -465.106
Base-Backbone interact. energy: -1.590
local terms energy: -481.432322
where:
bonds (distance) C4'-P energy: -91.836
bonds (distance) P-C4' energy: -108.057
flat angles C4'-P-C4' energy: -95.281
flat angles P-C4'-P energy: -63.747
tors. eta vs tors. theta energy: -122.512
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: 5
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1562.771375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.771375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.771375 (E_RNA)
where:
Base-Base interactions energy: -1103.859
where: short stacking energy: -454.421
Base-Backbone interact. energy: -1.336
local terms energy: -457.577020
where:
bonds (distance) C4'-P energy: -88.930
bonds (distance) P-C4' energy: -80.950
flat angles C4'-P-C4' energy: -101.143
flat angles P-C4'-P energy: -66.540
tors. eta vs tors. theta energy: -120.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1445.820238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.820238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.820238 (E_RNA)
where:
Base-Base interactions energy: -984.759
where: short stacking energy: -431.385
Base-Backbone interact. energy: -0.911
local terms energy: -460.149578
where:
bonds (distance) C4'-P energy: -99.627
bonds (distance) P-C4' energy: -85.845
flat angles C4'-P-C4' energy: -106.387
flat angles P-C4'-P energy: -55.144
tors. eta vs tors. theta energy: -113.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1310.111655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.111655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.111655 (E_RNA)
where:
Base-Base interactions energy: -874.087
where: short stacking energy: -354.932
Base-Backbone interact. energy: -0.394
local terms energy: -435.630661
where:
bonds (distance) C4'-P energy: -88.192
bonds (distance) P-C4' energy: -96.556
flat angles C4'-P-C4' energy: -99.601
flat angles P-C4'-P energy: -68.146
tors. eta vs tors. theta energy: -83.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1273.314302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.314302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.314302 (E_RNA)
where:
Base-Base interactions energy: -838.362
where: short stacking energy: -376.992
Base-Backbone interact. energy: 2.128
local terms energy: -437.080138
where:
bonds (distance) C4'-P energy: -90.571
bonds (distance) P-C4' energy: -96.690
flat angles C4'-P-C4' energy: -93.435
flat angles P-C4'-P energy: -71.276
tors. eta vs tors. theta energy: -85.109
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: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -821.960734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.960734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.960734 (E_RNA)
where:
Base-Base interactions energy: -493.273
where: short stacking energy: -238.970
Base-Backbone interact. energy: 4.699
local terms energy: -333.386791
where:
bonds (distance) C4'-P energy: -94.207
bonds (distance) P-C4' energy: -91.076
flat angles C4'-P-C4' energy: -74.068
flat angles P-C4'-P energy: -36.875
tors. eta vs tors. theta energy: -37.161
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: 10, replica: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -588.270396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.270396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.270396 (E_RNA)
where:
Base-Base interactions energy: -289.182
where: short stacking energy: -171.503
Base-Backbone interact. energy: -1.702
local terms energy: -297.386759
where:
bonds (distance) C4'-P energy: -69.563
bonds (distance) P-C4' energy: -97.187
flat angles C4'-P-C4' energy: -83.485
flat angles P-C4'-P energy: -43.862
tors. eta vs tors. theta energy: -3.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1891.936265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.936265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.936265 (E_RNA)
where:
Base-Base interactions energy: -1334.983
where: short stacking energy: -539.340
Base-Backbone interact. energy: -2.797
local terms energy: -554.155674
where:
bonds (distance) C4'-P energy: -110.448
bonds (distance) P-C4' energy: -108.033
flat angles C4'-P-C4' energy: -117.165
flat angles P-C4'-P energy: -66.797
tors. eta vs tors. theta energy: -151.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1818.192277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.192277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.192277 (E_RNA)
where:
Base-Base interactions energy: -1284.798
where: short stacking energy: -529.999
Base-Backbone interact. energy: -3.063
local terms energy: -530.331258
where:
bonds (distance) C4'-P energy: -95.235
bonds (distance) P-C4' energy: -88.413
flat angles C4'-P-C4' energy: -116.308
flat angles P-C4'-P energy: -82.915
tors. eta vs tors. theta energy: -147.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1758.048604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.048604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.048604 (E_RNA)
where:
Base-Base interactions energy: -1231.075
where: short stacking energy: -506.709
Base-Backbone interact. energy: 1.166
local terms energy: -528.139831
where:
bonds (distance) C4'-P energy: -95.943
bonds (distance) P-C4' energy: -102.338
flat angles C4'-P-C4' energy: -114.294
flat angles P-C4'-P energy: -73.520
tors. eta vs tors. theta energy: -142.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1584.177870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.177870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.177870 (E_RNA)
where:
Base-Base interactions energy: -1087.578
where: short stacking energy: -479.191
Base-Backbone interact. energy: -0.004
local terms energy: -496.596378
where:
bonds (distance) C4'-P energy: -99.237
bonds (distance) P-C4' energy: -85.481
flat angles C4'-P-C4' energy: -111.598
flat angles P-C4'-P energy: -68.224
tors. eta vs tors. theta energy: -132.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1549.150921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.150921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.150921 (E_RNA)
where:
Base-Base interactions energy: -1057.483
where: short stacking energy: -470.401
Base-Backbone interact. energy: -2.240
local terms energy: -489.427271
where:
bonds (distance) C4'-P energy: -96.831
bonds (distance) P-C4' energy: -93.337
flat angles C4'-P-C4' energy: -103.192
flat angles P-C4'-P energy: -72.334
tors. eta vs tors. theta energy: -123.733
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: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1418.593209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.593209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.593209 (E_RNA)
where:
Base-Base interactions energy: -960.321
where: short stacking energy: -414.564
Base-Backbone interact. energy: -1.728
local terms energy: -456.545077
where:
bonds (distance) C4'-P energy: -92.638
bonds (distance) P-C4' energy: -97.386
flat angles C4'-P-C4' energy: -93.945
flat angles P-C4'-P energy: -71.090
tors. eta vs tors. theta energy: -101.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1345.902497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.902497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.902497 (E_RNA)
where:
Base-Base interactions energy: -888.561
where: short stacking energy: -432.037
Base-Backbone interact. energy: 3.150
local terms energy: -460.491986
where:
bonds (distance) C4'-P energy: -65.089
bonds (distance) P-C4' energy: -100.923
flat angles C4'-P-C4' energy: -109.820
flat angles P-C4'-P energy: -67.792
tors. eta vs tors. theta energy: -116.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1220.986294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.986294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.986294 (E_RNA)
where:
Base-Base interactions energy: -802.277
where: short stacking energy: -357.911
Base-Backbone interact. energy: 0.791
local terms energy: -419.500486
where:
bonds (distance) C4'-P energy: -92.202
bonds (distance) P-C4' energy: -92.017
flat angles C4'-P-C4' energy: -84.419
flat angles P-C4'-P energy: -66.788
tors. eta vs tors. theta energy: -84.074
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: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -811.531224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.531224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.531224 (E_RNA)
where:
Base-Base interactions energy: -479.194
where: short stacking energy: -245.341
Base-Backbone interact. energy: -2.957
local terms energy: -329.380983
where:
bonds (distance) C4'-P energy: -86.087
bonds (distance) P-C4' energy: -89.702
flat angles C4'-P-C4' energy: -69.838
flat angles P-C4'-P energy: -45.218
tors. eta vs tors. theta energy: -38.535
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: 340
Temperature: 1.350000
Total energy: -617.694625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.694625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.694625 (E_RNA)
where:
Base-Base interactions energy: -322.490
where: short stacking energy: -188.408
Base-Backbone interact. energy: -2.259
local terms energy: -292.946300
where:
bonds (distance) C4'-P energy: -84.638
bonds (distance) P-C4' energy: -85.413
flat angles C4'-P-C4' energy: -75.365
flat angles P-C4'-P energy: -35.671
tors. eta vs tors. theta energy: -11.859
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: 341
Temperature: 0.900000
Total energy: -1914.632119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.632119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.632119 (E_RNA)
where:
Base-Base interactions energy: -1344.047
where: short stacking energy: -545.903
Base-Backbone interact. energy: -3.526
local terms energy: -567.058483
where:
bonds (distance) C4'-P energy: -107.726
bonds (distance) P-C4' energy: -100.808
flat angles C4'-P-C4' energy: -127.469
flat angles P-C4'-P energy: -79.341
tors. eta vs tors. theta energy: -151.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1814.699397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.699397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.699397 (E_RNA)
where:
Base-Base interactions energy: -1287.850
where: short stacking energy: -521.399
Base-Backbone interact. energy: -2.133
local terms energy: -524.716429
where:
bonds (distance) C4'-P energy: -92.592
bonds (distance) P-C4' energy: -108.066
flat angles C4'-P-C4' energy: -120.065
flat angles P-C4'-P energy: -71.372
tors. eta vs tors. theta energy: -132.621
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: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1737.483408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.483408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.483408 (E_RNA)
where:
Base-Base interactions energy: -1212.264
where: short stacking energy: -500.428
Base-Backbone interact. energy: -0.299
local terms energy: -524.919852
where:
bonds (distance) C4'-P energy: -94.917
bonds (distance) P-C4' energy: -109.876
flat angles C4'-P-C4' energy: -106.665
flat angles P-C4'-P energy: -75.447
tors. eta vs tors. theta energy: -138.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1642.025544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.025544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.025544 (E_RNA)
where:
Base-Base interactions energy: -1124.483
where: short stacking energy: -481.597
Base-Backbone interact. energy: -1.421
local terms energy: -516.120986
where:
bonds (distance) C4'-P energy: -86.487
bonds (distance) P-C4' energy: -114.892
flat angles C4'-P-C4' energy: -112.968
flat angles P-C4'-P energy: -74.883
tors. eta vs tors. theta energy: -126.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1562.732535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.732535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.732535 (E_RNA)
where:
Base-Base interactions energy: -1067.630
where: short stacking energy: -450.799
Base-Backbone interact. energy: -0.044
local terms energy: -495.058141
where:
bonds (distance) C4'-P energy: -95.956
bonds (distance) P-C4' energy: -104.824
flat angles C4'-P-C4' energy: -109.621
flat angles P-C4'-P energy: -69.701
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: 6, replica: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1466.290411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.290411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.290411 (E_RNA)
where:
Base-Base interactions energy: -1011.032
where: short stacking energy: -433.729
Base-Backbone interact. energy: 4.599
local terms energy: -459.857967
where:
bonds (distance) C4'-P energy: -81.181
bonds (distance) P-C4' energy: -96.979
flat angles C4'-P-C4' energy: -106.483
flat angles P-C4'-P energy: -63.501
tors. eta vs tors. theta energy: -111.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1293.360462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.360462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.360462 (E_RNA)
where:
Base-Base interactions energy: -857.157
where: short stacking energy: -390.501
Base-Backbone interact. energy: -0.974
local terms energy: -435.229680
where:
bonds (distance) C4'-P energy: -88.259
bonds (distance) P-C4' energy: -85.396
flat angles C4'-P-C4' energy: -108.690
flat angles P-C4'-P energy: -52.466
tors. eta vs tors. theta energy: -100.419
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: 7
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1213.601336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.601336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.601336 (E_RNA)
where:
Base-Base interactions energy: -820.023
where: short stacking energy: -348.013
Base-Backbone interact. energy: 1.904
local terms energy: -395.482573
where:
bonds (distance) C4'-P energy: -80.919
bonds (distance) P-C4' energy: -91.163
flat angles C4'-P-C4' energy: -86.961
flat angles P-C4'-P energy: -68.352
tors. eta vs tors. theta energy: -68.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -887.555171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.555171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.555171 (E_RNA)
where:
Base-Base interactions energy: -523.533
where: short stacking energy: -259.360
Base-Backbone interact. energy: -1.353
local terms energy: -362.669086
where:
bonds (distance) C4'-P energy: -74.859
bonds (distance) P-C4' energy: -96.515
flat angles C4'-P-C4' energy: -87.828
flat angles P-C4'-P energy: -50.015
tors. eta vs tors. theta energy: -53.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -619.994053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.994053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.994053 (E_RNA)
where:
Base-Base interactions energy: -341.622
where: short stacking energy: -146.802
Base-Backbone interact. energy: 0.162
local terms energy: -278.534168
where:
bonds (distance) C4'-P energy: -92.771
bonds (distance) P-C4' energy: -84.737
flat angles C4'-P-C4' energy: -54.141
flat angles P-C4'-P energy: -46.257
tors. eta vs tors. theta energy: -0.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1918.424128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.424128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.424128 (E_RNA)
where:
Base-Base interactions energy: -1366.558
where: short stacking energy: -553.087
Base-Backbone interact. energy: 2.724
local terms energy: -554.590962
where:
bonds (distance) C4'-P energy: -94.289
bonds (distance) P-C4' energy: -102.413
flat angles C4'-P-C4' energy: -119.881
flat angles P-C4'-P energy: -83.440
tors. eta vs tors. theta energy: -154.569
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: 2, replica: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1803.266763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.266763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.266763 (E_RNA)
where:
Base-Base interactions energy: -1261.942
where: short stacking energy: -528.855
Base-Backbone interact. energy: -2.484
local terms energy: -538.840492
where:
bonds (distance) C4'-P energy: -93.089
bonds (distance) P-C4' energy: -105.300
flat angles C4'-P-C4' energy: -112.213
flat angles P-C4'-P energy: -94.646
tors. eta vs tors. theta energy: -133.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1726.606738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.606738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.606738 (E_RNA)
where:
Base-Base interactions energy: -1211.339
where: short stacking energy: -496.931
Base-Backbone interact. energy: -2.100
local terms energy: -513.168519
where:
bonds (distance) C4'-P energy: -93.629
bonds (distance) P-C4' energy: -99.467
flat angles C4'-P-C4' energy: -105.052
flat angles P-C4'-P energy: -73.005
tors. eta vs tors. theta energy: -142.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1629.721248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.721248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.721248 (E_RNA)
where:
Base-Base interactions energy: -1116.052
where: short stacking energy: -485.552
Base-Backbone interact. energy: 0.537
local terms energy: -514.206881
where:
bonds (distance) C4'-P energy: -90.136
bonds (distance) P-C4' energy: -105.037
flat angles C4'-P-C4' energy: -115.994
flat angles P-C4'-P energy: -73.106
tors. eta vs tors. theta energy: -129.934
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: 5, replica: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1500.039930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.039930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.039930 (E_RNA)
where:
Base-Base interactions energy: -1018.091
where: short stacking energy: -449.099
Base-Backbone interact. energy: -0.278
local terms energy: -481.671071
where:
bonds (distance) C4'-P energy: -92.624
bonds (distance) P-C4' energy: -102.699
flat angles C4'-P-C4' energy: -111.627
flat angles P-C4'-P energy: -66.885
tors. eta vs tors. theta energy: -107.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1477.031071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.031071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.031071 (E_RNA)
where:
Base-Base interactions energy: -1019.072
where: short stacking energy: -416.829
Base-Backbone interact. energy: -1.086
local terms energy: -456.872937
where:
bonds (distance) C4'-P energy: -86.137
bonds (distance) P-C4' energy: -85.504
flat angles C4'-P-C4' energy: -102.406
flat angles P-C4'-P energy: -68.430
tors. eta vs tors. theta energy: -114.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1318.314990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.314990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.314990 (E_RNA)
where:
Base-Base interactions energy: -889.052
where: short stacking energy: -369.368
Base-Backbone interact. energy: -1.437
local terms energy: -427.826412
where:
bonds (distance) C4'-P energy: -92.365
bonds (distance) P-C4' energy: -86.946
flat angles C4'-P-C4' energy: -85.655
flat angles P-C4'-P energy: -71.334
tors. eta vs tors. theta energy: -91.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1259.150183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.150183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.150183 (E_RNA)
where:
Base-Base interactions energy: -864.071
where: short stacking energy: -363.057
Base-Backbone interact. energy: -0.753
local terms energy: -394.326325
where:
bonds (distance) C4'-P energy: -76.101
bonds (distance) P-C4' energy: -78.142
flat angles C4'-P-C4' energy: -110.968
flat angles P-C4'-P energy: -61.312
tors. eta vs tors. theta energy: -67.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -833.051786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.051786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.051786 (E_RNA)
where:
Base-Base interactions energy: -509.329
where: short stacking energy: -238.468
Base-Backbone interact. energy: 0.188
local terms energy: -323.911205
where:
bonds (distance) C4'-P energy: -91.393
bonds (distance) P-C4' energy: -67.963
flat angles C4'-P-C4' energy: -76.852
flat angles P-C4'-P energy: -46.907
tors. eta vs tors. theta energy: -40.796
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: 10, replica: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -599.580826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.580826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.580826 (E_RNA)
where:
Base-Base interactions energy: -301.391
where: short stacking energy: -176.999
Base-Backbone interact. energy: 4.969
local terms energy: -303.158590
where:
bonds (distance) C4'-P energy: -85.634
bonds (distance) P-C4' energy: -91.505
flat angles C4'-P-C4' energy: -71.668
flat angles P-C4'-P energy: -47.636
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1885.042145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.042145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.042145 (E_RNA)
where:
Base-Base interactions energy: -1337.438
where: short stacking energy: -534.304
Base-Backbone interact. energy: -1.665
local terms energy: -545.939417
where:
bonds (distance) C4'-P energy: -97.887
bonds (distance) P-C4' energy: -101.507
flat angles C4'-P-C4' energy: -124.079
flat angles P-C4'-P energy: -79.642
tors. eta vs tors. theta energy: -142.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1798.107972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.107972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.107972 (E_RNA)
where:
Base-Base interactions energy: -1244.195
where: short stacking energy: -511.883
Base-Backbone interact. energy: -2.907
local terms energy: -551.005877
where:
bonds (distance) C4'-P energy: -110.599
bonds (distance) P-C4' energy: -104.577
flat angles C4'-P-C4' energy: -126.199
flat angles P-C4'-P energy: -65.163
tors. eta vs tors. theta energy: -144.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1722.328832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.328832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.328832 (E_RNA)
where:
Base-Base interactions energy: -1193.292
where: short stacking energy: -495.449
Base-Backbone interact. energy: -0.708
local terms energy: -528.329215
where:
bonds (distance) C4'-P energy: -92.267
bonds (distance) P-C4' energy: -109.890
flat angles C4'-P-C4' energy: -112.157
flat angles P-C4'-P energy: -75.026
tors. eta vs tors. theta energy: -138.988
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: 4, replica: 4
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1615.478417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.478417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.478417 (E_RNA)
where:
Base-Base interactions energy: -1122.390
where: short stacking energy: -474.145
Base-Backbone interact. energy: -2.091
local terms energy: -490.997226
where:
bonds (distance) C4'-P energy: -102.250
bonds (distance) P-C4' energy: -97.031
flat angles C4'-P-C4' energy: -98.253
flat angles P-C4'-P energy: -67.257
tors. eta vs tors. theta energy: -126.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1531.308631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.308631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.308631 (E_RNA)
where:
Base-Base interactions energy: -1039.580
where: short stacking energy: -450.847
Base-Backbone interact. energy: -1.890
local terms energy: -489.838512
where:
bonds (distance) C4'-P energy: -92.449
bonds (distance) P-C4' energy: -103.893
flat angles C4'-P-C4' energy: -105.289
flat angles P-C4'-P energy: -71.690
tors. eta vs tors. theta energy: -116.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1470.985028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.985028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.985028 (E_RNA)
where:
Base-Base interactions energy: -1013.526
where: short stacking energy: -418.305
Base-Backbone interact. energy: -1.575
local terms energy: -455.884862
where:
bonds (distance) C4'-P energy: -87.556
bonds (distance) P-C4' energy: -83.920
flat angles C4'-P-C4' energy: -110.228
flat angles P-C4'-P energy: -68.237
tors. eta vs tors. theta energy: -105.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1351.308451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.308451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.308451 (E_RNA)
where:
Base-Base interactions energy: -927.915
where: short stacking energy: -397.698
Base-Backbone interact. energy: 3.287
local terms energy: -426.679773
where:
bonds (distance) C4'-P energy: -93.262
bonds (distance) P-C4' energy: -81.962
flat angles C4'-P-C4' energy: -104.030
flat angles P-C4'-P energy: -52.258
tors. eta vs tors. theta energy: -95.167
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: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1337.386511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.386511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.386511 (E_RNA)
where:
Base-Base interactions energy: -930.466
where: short stacking energy: -391.070
Base-Backbone interact. energy: 2.442
local terms energy: -409.361892
where:
bonds (distance) C4'-P energy: -97.852
bonds (distance) P-C4' energy: -83.895
flat angles C4'-P-C4' energy: -77.432
flat angles P-C4'-P energy: -63.157
tors. eta vs tors. theta energy: -87.025
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: 9
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -807.875572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.875572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.875572 (E_RNA)
where:
Base-Base interactions energy: -462.797
where: short stacking energy: -231.624
Base-Backbone interact. energy: 1.975
local terms energy: -347.053211
where:
bonds (distance) C4'-P energy: -93.165
bonds (distance) P-C4' energy: -80.807
flat angles C4'-P-C4' energy: -91.672
flat angles P-C4'-P energy: -38.639
tors. eta vs tors. theta energy: -42.770
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: 10, replica: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -555.359749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.359749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.359749 (E_RNA)
where:
Base-Base interactions energy: -272.606
where: short stacking energy: -152.932
Base-Backbone interact. energy: -0.294
local terms energy: -282.459785
where:
bonds (distance) C4'-P energy: -82.868
bonds (distance) P-C4' energy: -93.438
flat angles C4'-P-C4' energy: -73.878
flat angles P-C4'-P energy: -54.563
tors. eta vs tors. theta energy: 22.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1884.765917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.765917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.765917 (E_RNA)
where:
Base-Base interactions energy: -1317.092
where: short stacking energy: -535.772
Base-Backbone interact. energy: -2.006
local terms energy: -565.667398
where:
bonds (distance) C4'-P energy: -104.157
bonds (distance) P-C4' energy: -116.814
flat angles C4'-P-C4' energy: -118.881
flat angles P-C4'-P energy: -78.508
tors. eta vs tors. theta energy: -147.307
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: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1822.486677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.486677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.486677 (E_RNA)
where:
Base-Base interactions energy: -1297.789
where: short stacking energy: -522.623
Base-Backbone interact. energy: -3.105
local terms energy: -521.593399
where:
bonds (distance) C4'-P energy: -99.980
bonds (distance) P-C4' energy: -107.838
flat angles C4'-P-C4' energy: -110.481
flat angles P-C4'-P energy: -65.610
tors. eta vs tors. theta energy: -137.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1729.591610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.591610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.591610 (E_RNA)
where:
Base-Base interactions energy: -1206.687
where: short stacking energy: -504.013
Base-Backbone interact. energy: -2.172
local terms energy: -520.733390
where:
bonds (distance) C4'-P energy: -89.245
bonds (distance) P-C4' energy: -105.067
flat angles C4'-P-C4' energy: -118.762
flat angles P-C4'-P energy: -70.155
tors. eta vs tors. theta energy: -137.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1581.929180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.929180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.929180 (E_RNA)
where:
Base-Base interactions energy: -1077.176
where: short stacking energy: -463.182
Base-Backbone interact. energy: -1.571
local terms energy: -503.182007
where:
bonds (distance) C4'-P energy: -108.696
bonds (distance) P-C4' energy: -105.616
flat angles C4'-P-C4' energy: -112.617
flat angles P-C4'-P energy: -56.017
tors. eta vs tors. theta energy: -120.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1552.183966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.183966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.183966 (E_RNA)
where:
Base-Base interactions energy: -1070.918
where: short stacking energy: -450.342
Base-Backbone interact. energy: 2.161
local terms energy: -483.427582
where:
bonds (distance) C4'-P energy: -100.345
bonds (distance) P-C4' energy: -97.047
flat angles C4'-P-C4' energy: -93.592
flat angles P-C4'-P energy: -63.466
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: 6, replica: 5
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1454.336114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.336114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.336114 (E_RNA)
where:
Base-Base interactions energy: -1012.757
where: short stacking energy: -410.118
Base-Backbone interact. energy: -0.881
local terms energy: -440.698070
where:
bonds (distance) C4'-P energy: -79.249
bonds (distance) P-C4' energy: -100.032
flat angles C4'-P-C4' energy: -106.448
flat angles P-C4'-P energy: -57.309
tors. eta vs tors. theta energy: -97.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1302.577381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.577381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.577381 (E_RNA)
where:
Base-Base interactions energy: -912.646
where: short stacking energy: -366.628
Base-Backbone interact. energy: 0.386
local terms energy: -390.317255
where:
bonds (distance) C4'-P energy: -82.603
bonds (distance) P-C4' energy: -86.216
flat angles C4'-P-C4' energy: -92.714
flat angles P-C4'-P energy: -51.185
tors. eta vs tors. theta energy: -77.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1209.905002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.905002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.905002 (E_RNA)
where:
Base-Base interactions energy: -811.009
where: short stacking energy: -340.569
Base-Backbone interact. energy: 1.579
local terms energy: -400.475357
where:
bonds (distance) C4'-P energy: -86.158
bonds (distance) P-C4' energy: -83.573
flat angles C4'-P-C4' energy: -96.891
flat angles P-C4'-P energy: -53.445
tors. eta vs tors. theta energy: -80.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -818.202351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.202351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.202351 (E_RNA)
where:
Base-Base interactions energy: -473.113
where: short stacking energy: -211.227
Base-Backbone interact. energy: -0.949
local terms energy: -344.140690
where:
bonds (distance) C4'-P energy: -76.257
bonds (distance) P-C4' energy: -103.752
flat angles C4'-P-C4' energy: -92.720
flat angles P-C4'-P energy: -55.947
tors. eta vs tors. theta energy: -15.466
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: 344
Temperature: 1.350000
Total energy: -532.465589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.465589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.465589 (E_RNA)
where:
Base-Base interactions energy: -290.657
where: short stacking energy: -162.327
Base-Backbone interact. energy: -1.475
local terms energy: -240.333412
where:
bonds (distance) C4'-P energy: -84.157
bonds (distance) P-C4' energy: -67.133
flat angles C4'-P-C4' energy: -80.337
flat angles P-C4'-P energy: -33.132
tors. eta vs tors. theta energy: 24.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1897.025058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.025058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.025058 (E_RNA)
where:
Base-Base interactions energy: -1328.538
where: short stacking energy: -538.894
Base-Backbone interact. energy: -4.027
local terms energy: -564.459937
where:
bonds (distance) C4'-P energy: -114.794
bonds (distance) P-C4' energy: -101.876
flat angles C4'-P-C4' energy: -124.192
flat angles P-C4'-P energy: -75.191
tors. eta vs tors. theta energy: -148.407
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: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1822.968789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.968789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.968789 (E_RNA)
where:
Base-Base interactions energy: -1276.982
where: short stacking energy: -519.158
Base-Backbone interact. energy: -1.692
local terms energy: -544.295229
where:
bonds (distance) C4'-P energy: -108.560
bonds (distance) P-C4' energy: -107.995
flat angles C4'-P-C4' energy: -108.806
flat angles P-C4'-P energy: -92.229
tors. eta vs tors. theta energy: -126.704
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: 3, replica: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1735.594142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.594142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.594142 (E_RNA)
where:
Base-Base interactions energy: -1212.257
where: short stacking energy: -514.184
Base-Backbone interact. energy: -2.016
local terms energy: -521.321455
where:
bonds (distance) C4'-P energy: -102.379
bonds (distance) P-C4' energy: -100.203
flat angles C4'-P-C4' energy: -106.323
flat angles P-C4'-P energy: -70.659
tors. eta vs tors. theta energy: -141.757
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: 6
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1537.806602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.806602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.806602 (E_RNA)
where:
Base-Base interactions energy: -1060.608
where: short stacking energy: -437.325
Base-Backbone interact. energy: -0.398
local terms energy: -476.800805
where:
bonds (distance) C4'-P energy: -94.400
bonds (distance) P-C4' energy: -93.484
flat angles C4'-P-C4' energy: -106.380
flat angles P-C4'-P energy: -67.659
tors. eta vs tors. theta energy: -114.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1553.227548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.227548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.227548 (E_RNA)
where:
Base-Base interactions energy: -1072.871
where: short stacking energy: -456.180
Base-Backbone interact. energy: 0.121
local terms energy: -480.477786
where:
bonds (distance) C4'-P energy: -90.366
bonds (distance) P-C4' energy: -94.437
flat angles C4'-P-C4' energy: -111.335
flat angles P-C4'-P energy: -68.051
tors. eta vs tors. theta energy: -116.289
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: 5
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1464.998077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.998077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.998077 (E_RNA)
where:
Base-Base interactions energy: -1019.853
where: short stacking energy: -408.673
Base-Backbone interact. energy: 3.273
local terms energy: -448.417766
where:
bonds (distance) C4'-P energy: -87.907
bonds (distance) P-C4' energy: -99.685
flat angles C4'-P-C4' energy: -109.957
flat angles P-C4'-P energy: -56.052
tors. eta vs tors. theta energy: -94.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1271.579226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.579226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.579226 (E_RNA)
where:
Base-Base interactions energy: -852.409
where: short stacking energy: -345.043
Base-Backbone interact. energy: 1.820
local terms energy: -420.990212
where:
bonds (distance) C4'-P energy: -85.758
bonds (distance) P-C4' energy: -102.577
flat angles C4'-P-C4' energy: -102.012
flat angles P-C4'-P energy: -57.020
tors. eta vs tors. theta energy: -73.623
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: 8, replica: 7
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1217.776357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.776357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.776357 (E_RNA)
where:
Base-Base interactions energy: -821.094
where: short stacking energy: -343.668
Base-Backbone interact. energy: -1.662
local terms energy: -395.020425
where:
bonds (distance) C4'-P energy: -84.922
bonds (distance) P-C4' energy: -75.397
flat angles C4'-P-C4' energy: -79.357
flat angles P-C4'-P energy: -66.209
tors. eta vs tors. theta energy: -89.135
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: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -774.624518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.624518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.624518 (E_RNA)
where:
Base-Base interactions energy: -466.461
where: short stacking energy: -212.209
Base-Backbone interact. energy: 2.343
local terms energy: -310.506834
where:
bonds (distance) C4'-P energy: -82.772
bonds (distance) P-C4' energy: -97.794
flat angles C4'-P-C4' energy: -69.298
flat angles P-C4'-P energy: -55.384
tors. eta vs tors. theta energy: -5.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -513.796064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.796064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.796064 (E_RNA)
where:
Base-Base interactions energy: -228.687
where: short stacking energy: -142.010
Base-Backbone interact. energy: -1.479
local terms energy: -283.630610
where:
bonds (distance) C4'-P energy: -81.005
bonds (distance) P-C4' energy: -90.263
flat angles C4'-P-C4' energy: -81.492
flat angles P-C4'-P energy: -49.335
tors. eta vs tors. theta energy: 18.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1905.220372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.220372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.220372 (E_RNA)
where:
Base-Base interactions energy: -1350.967
where: short stacking energy: -557.009
Base-Backbone interact. energy: -0.537
local terms energy: -553.716482
where:
bonds (distance) C4'-P energy: -104.506
bonds (distance) P-C4' energy: -102.280
flat angles C4'-P-C4' energy: -112.758
flat angles P-C4'-P energy: -82.134
tors. eta vs tors. theta energy: -152.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1800.784783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.784783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.784783 (E_RNA)
where:
Base-Base interactions energy: -1258.604
where: short stacking energy: -525.554
Base-Backbone interact. energy: -3.111
local terms energy: -539.068840
where:
bonds (distance) C4'-P energy: -88.029
bonds (distance) P-C4' energy: -115.043
flat angles C4'-P-C4' energy: -121.141
flat angles P-C4'-P energy: -80.919
tors. eta vs tors. theta energy: -133.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1761.779829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.779829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.779829 (E_RNA)
where:
Base-Base interactions energy: -1247.836
where: short stacking energy: -521.529
Base-Backbone interact. energy: 2.921
local terms energy: -516.865393
where:
bonds (distance) C4'-P energy: -90.401
bonds (distance) P-C4' energy: -103.219
flat angles C4'-P-C4' energy: -118.207
flat angles P-C4'-P energy: -64.154
tors. eta vs tors. theta energy: -140.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1559.290520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.290520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.290520 (E_RNA)
where:
Base-Base interactions energy: -1071.045
where: short stacking energy: -465.669
Base-Backbone interact. energy: 4.553
local terms energy: -492.797792
where:
bonds (distance) C4'-P energy: -95.091
bonds (distance) P-C4' energy: -96.374
flat angles C4'-P-C4' energy: -110.525
flat angles P-C4'-P energy: -69.304
tors. eta vs tors. theta energy: -121.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1525.920353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.920353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.920353 (E_RNA)
where:
Base-Base interactions energy: -1042.494
where: short stacking energy: -455.403
Base-Backbone interact. energy: 2.554
local terms energy: -485.980307
where:
bonds (distance) C4'-P energy: -98.253
bonds (distance) P-C4' energy: -105.341
flat angles C4'-P-C4' energy: -111.333
flat angles P-C4'-P energy: -63.356
tors. eta vs tors. theta energy: -107.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1456.228156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.228156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.228156 (E_RNA)
where:
Base-Base interactions energy: -999.870
where: short stacking energy: -401.762
Base-Backbone interact. energy: -2.389
local terms energy: -453.969034
where:
bonds (distance) C4'-P energy: -91.728
bonds (distance) P-C4' energy: -87.879
flat angles C4'-P-C4' energy: -93.590
flat angles P-C4'-P energy: -66.126
tors. eta vs tors. theta energy: -114.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1347.510671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.510671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.510671 (E_RNA)
where:
Base-Base interactions energy: -932.333
where: short stacking energy: -394.949
Base-Backbone interact. energy: 3.871
local terms energy: -419.049164
where:
bonds (distance) C4'-P energy: -81.867
bonds (distance) P-C4' energy: -80.639
flat angles C4'-P-C4' energy: -105.058
flat angles P-C4'-P energy: -63.258
tors. eta vs tors. theta energy: -88.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1260.599805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.599805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.599805 (E_RNA)
where:
Base-Base interactions energy: -852.755
where: short stacking energy: -345.509
Base-Backbone interact. energy: 0.687
local terms energy: -408.531864
where:
bonds (distance) C4'-P energy: -81.339
bonds (distance) P-C4' energy: -92.601
flat angles C4'-P-C4' energy: -97.513
flat angles P-C4'-P energy: -50.923
tors. eta vs tors. theta energy: -86.155
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: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -790.268692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.268692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.268692 (E_RNA)
where:
Base-Base interactions energy: -466.397
where: short stacking energy: -235.389
Base-Backbone interact. energy: 2.105
local terms energy: -325.977333
where:
bonds (distance) C4'-P energy: -91.962
bonds (distance) P-C4' energy: -82.349
flat angles C4'-P-C4' energy: -79.987
flat angles P-C4'-P energy: -36.303
tors. eta vs tors. theta energy: -35.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -589.760284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.760284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.760284 (E_RNA)
where:
Base-Base interactions energy: -280.904
where: short stacking energy: -154.049
Base-Backbone interact. energy: 0.804
local terms energy: -309.660562
where:
bonds (distance) C4'-P energy: -90.919
bonds (distance) P-C4' energy: -96.683
flat angles C4'-P-C4' energy: -95.038
flat angles P-C4'-P energy: -40.185
tors. eta vs tors. theta energy: 13.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1877.541505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.541505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.541505 (E_RNA)
where:
Base-Base interactions energy: -1315.934
where: short stacking energy: -540.138
Base-Backbone interact. energy: -1.743
local terms energy: -559.864990
where:
bonds (distance) C4'-P energy: -100.542
bonds (distance) P-C4' energy: -105.459
flat angles C4'-P-C4' energy: -117.966
flat angles P-C4'-P energy: -89.385
tors. eta vs tors. theta energy: -146.513
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: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1784.154781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.154781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.154781 (E_RNA)
where:
Base-Base interactions energy: -1267.705
where: short stacking energy: -534.184
Base-Backbone interact. energy: -4.009
local terms energy: -512.440607
where:
bonds (distance) C4'-P energy: -87.843
bonds (distance) P-C4' energy: -99.898
flat angles C4'-P-C4' energy: -107.671
flat angles P-C4'-P energy: -71.830
tors. eta vs tors. theta energy: -145.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1759.204513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.204513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.204513 (E_RNA)
where:
Base-Base interactions energy: -1251.374
where: short stacking energy: -532.885
Base-Backbone interact. energy: -2.442
local terms energy: -505.387972
where:
bonds (distance) C4'-P energy: -94.681
bonds (distance) P-C4' energy: -105.406
flat angles C4'-P-C4' energy: -103.195
flat angles P-C4'-P energy: -69.567
tors. eta vs tors. theta energy: -132.538
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: 347
Temperature: 1.050000
Total energy: -1567.099287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.099287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.099287 (E_RNA)
where:
Base-Base interactions energy: -1070.691
where: short stacking energy: -463.267
Base-Backbone interact. energy: 0.144
local terms energy: -496.552979
where:
bonds (distance) C4'-P energy: -93.073
bonds (distance) P-C4' energy: -107.948
flat angles C4'-P-C4' energy: -106.317
flat angles P-C4'-P energy: -71.009
tors. eta vs tors. theta energy: -118.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1537.294870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.294870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.294870 (E_RNA)
where:
Base-Base interactions energy: -1068.918
where: short stacking energy: -454.273
Base-Backbone interact. energy: -0.808
local terms energy: -467.569277
where:
bonds (distance) C4'-P energy: -89.809
bonds (distance) P-C4' energy: -97.369
flat angles C4'-P-C4' energy: -104.947
flat angles P-C4'-P energy: -61.083
tors. eta vs tors. theta energy: -114.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1479.030143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.030143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.030143 (E_RNA)
where:
Base-Base interactions energy: -1027.645
where: short stacking energy: -432.860
Base-Backbone interact. energy: -2.357
local terms energy: -449.028191
where:
bonds (distance) C4'-P energy: -91.784
bonds (distance) P-C4' energy: -86.548
flat angles C4'-P-C4' energy: -83.213
flat angles P-C4'-P energy: -72.715
tors. eta vs tors. theta energy: -114.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1293.413652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.413652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.413652 (E_RNA)
where:
Base-Base interactions energy: -883.078
where: short stacking energy: -356.726
Base-Backbone interact. energy: -1.173
local terms energy: -409.162118
where:
bonds (distance) C4'-P energy: -73.317
bonds (distance) P-C4' energy: -94.048
flat angles C4'-P-C4' energy: -92.224
flat angles P-C4'-P energy: -66.840
tors. eta vs tors. theta energy: -82.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1266.544172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.544172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.544172 (E_RNA)
where:
Base-Base interactions energy: -853.384
where: short stacking energy: -367.646
Base-Backbone interact. energy: -3.768
local terms energy: -409.391947
where:
bonds (distance) C4'-P energy: -72.353
bonds (distance) P-C4' energy: -76.669
flat angles C4'-P-C4' energy: -107.583
flat angles P-C4'-P energy: -61.060
tors. eta vs tors. theta energy: -91.727
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: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -805.828828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.828828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.828828 (E_RNA)
where:
Base-Base interactions energy: -450.291
where: short stacking energy: -229.644
Base-Backbone interact. energy: -0.205
local terms energy: -355.333171
where:
bonds (distance) C4'-P energy: -98.503
bonds (distance) P-C4' energy: -90.059
flat angles C4'-P-C4' energy: -92.640
flat angles P-C4'-P energy: -58.428
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -539.376524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.376524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.376524 (E_RNA)
where:
Base-Base interactions energy: -247.539
where: short stacking energy: -156.089
Base-Backbone interact. energy: -2.045
local terms energy: -289.792831
where:
bonds (distance) C4'-P energy: -94.896
bonds (distance) P-C4' energy: -91.833
flat angles C4'-P-C4' energy: -63.884
flat angles P-C4'-P energy: -42.635
tors. eta vs tors. theta energy: 3.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1875.856688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.856688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.856688 (E_RNA)
where:
Base-Base interactions energy: -1315.670
where: short stacking energy: -549.276
Base-Backbone interact. energy: 1.305
local terms energy: -561.491958
where:
bonds (distance) C4'-P energy: -96.997
bonds (distance) P-C4' energy: -109.337
flat angles C4'-P-C4' energy: -121.042
flat angles P-C4'-P energy: -83.688
tors. eta vs tors. theta energy: -150.428
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: 3
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1798.804088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.804088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.804088 (E_RNA)
where:
Base-Base interactions energy: -1271.236
where: short stacking energy: -527.177
Base-Backbone interact. energy: 1.790
local terms energy: -529.357532
where:
bonds (distance) C4'-P energy: -99.500
bonds (distance) P-C4' energy: -92.647
flat angles C4'-P-C4' energy: -118.050
flat angles P-C4'-P energy: -78.129
tors. eta vs tors. theta energy: -141.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1745.082113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.082113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.082113 (E_RNA)
where:
Base-Base interactions energy: -1227.316
where: short stacking energy: -519.400
Base-Backbone interact. energy: -1.937
local terms energy: -515.828528
where:
bonds (distance) C4'-P energy: -81.685
bonds (distance) P-C4' energy: -95.510
flat angles C4'-P-C4' energy: -115.576
flat angles P-C4'-P energy: -86.758
tors. eta vs tors. theta energy: -136.299
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: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1583.185594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.185594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.185594 (E_RNA)
where:
Base-Base interactions energy: -1091.108
where: short stacking energy: -470.183
Base-Backbone interact. energy: 3.425
local terms energy: -495.502489
where:
bonds (distance) C4'-P energy: -98.991
bonds (distance) P-C4' energy: -95.551
flat angles C4'-P-C4' energy: -114.198
flat angles P-C4'-P energy: -66.385
tors. eta vs tors. theta energy: -120.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1542.109923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.109923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.109923 (E_RNA)
where:
Base-Base interactions energy: -1035.242
where: short stacking energy: -445.930
Base-Backbone interact. energy: -1.200
local terms energy: -505.668050
where:
bonds (distance) C4'-P energy: -95.689
bonds (distance) P-C4' energy: -111.038
flat angles C4'-P-C4' energy: -105.756
flat angles P-C4'-P energy: -70.425
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: 6, replica: 5
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1473.797400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.797400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.797400 (E_RNA)
where:
Base-Base interactions energy: -1017.347
where: short stacking energy: -403.651
Base-Backbone interact. energy: 4.664
local terms energy: -461.114712
where:
bonds (distance) C4'-P energy: -81.457
bonds (distance) P-C4' energy: -103.454
flat angles C4'-P-C4' energy: -106.366
flat angles P-C4'-P energy: -63.860
tors. eta vs tors. theta energy: -105.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1290.907057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.907057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.907057 (E_RNA)
where:
Base-Base interactions energy: -876.569
where: short stacking energy: -363.911
Base-Backbone interact. energy: 1.120
local terms energy: -415.458203
where:
bonds (distance) C4'-P energy: -79.548
bonds (distance) P-C4' energy: -84.681
flat angles C4'-P-C4' energy: -109.565
flat angles P-C4'-P energy: -53.752
tors. eta vs tors. theta energy: -87.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1290.667776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.667776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.667776 (E_RNA)
where:
Base-Base interactions energy: -882.396
where: short stacking energy: -375.767
Base-Backbone interact. energy: -4.323
local terms energy: -403.949141
where:
bonds (distance) C4'-P energy: -70.228
bonds (distance) P-C4' energy: -78.089
flat angles C4'-P-C4' energy: -105.817
flat angles P-C4'-P energy: -67.871
tors. eta vs tors. theta energy: -81.944
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: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -813.181009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.181009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.181009 (E_RNA)
where:
Base-Base interactions energy: -477.367
where: short stacking energy: -233.628
Base-Backbone interact. energy: -2.747
local terms energy: -333.067176
where:
bonds (distance) C4'-P energy: -88.697
bonds (distance) P-C4' energy: -84.958
flat angles C4'-P-C4' energy: -79.824
flat angles P-C4'-P energy: -51.256
tors. eta vs tors. theta energy: -28.332
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: 348
Temperature: 1.350000
Total energy: -542.074744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.074744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.074744 (E_RNA)
where:
Base-Base interactions energy: -265.856
where: short stacking energy: -154.236
Base-Backbone interact. energy: -0.190
local terms energy: -276.029510
where:
bonds (distance) C4'-P energy: -75.695
bonds (distance) P-C4' energy: -90.364
flat angles C4'-P-C4' energy: -66.013
flat angles P-C4'-P energy: -46.103
tors. eta vs tors. theta energy: 2.144
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: 349
Temperature: 0.900000
Total energy: -1904.179742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.179742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.179742 (E_RNA)
where:
Base-Base interactions energy: -1332.055
where: short stacking energy: -555.863
Base-Backbone interact. energy: -3.843
local terms energy: -568.281698
where:
bonds (distance) C4'-P energy: -113.313
bonds (distance) P-C4' energy: -113.477
flat angles C4'-P-C4' energy: -121.309
flat angles P-C4'-P energy: -71.867
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: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1826.679985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.679985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.679985 (E_RNA)
where:
Base-Base interactions energy: -1263.840
where: short stacking energy: -521.973
Base-Backbone interact. energy: -0.741
local terms energy: -562.098872
where:
bonds (distance) C4'-P energy: -104.049
bonds (distance) P-C4' energy: -123.469
flat angles C4'-P-C4' energy: -117.734
flat angles P-C4'-P energy: -72.891
tors. eta vs tors. theta energy: -143.957
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: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1754.432457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.432457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.432457 (E_RNA)
where:
Base-Base interactions energy: -1225.741
where: short stacking energy: -513.053
Base-Backbone interact. energy: -1.119
local terms energy: -527.572459
where:
bonds (distance) C4'-P energy: -96.403
bonds (distance) P-C4' energy: -104.657
flat angles C4'-P-C4' energy: -116.116
flat angles P-C4'-P energy: -72.668
tors. eta vs tors. theta energy: -137.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1584.587250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.587250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.587250 (E_RNA)
where:
Base-Base interactions energy: -1121.831
where: short stacking energy: -484.681
Base-Backbone interact. energy: 0.586
local terms energy: -463.341498
where:
bonds (distance) C4'-P energy: -86.515
bonds (distance) P-C4' energy: -80.820
flat angles C4'-P-C4' energy: -111.945
flat angles P-C4'-P energy: -66.279
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: 5, replica: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1529.382986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.382986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.382986 (E_RNA)
where:
Base-Base interactions energy: -1038.763
where: short stacking energy: -453.968
Base-Backbone interact. energy: -1.195
local terms energy: -489.424989
where:
bonds (distance) C4'-P energy: -91.043
bonds (distance) P-C4' energy: -90.579
flat angles C4'-P-C4' energy: -110.882
flat angles P-C4'-P energy: -70.327
tors. eta vs tors. theta energy: -126.594
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: 5
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1466.987392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.987392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.987392 (E_RNA)
where:
Base-Base interactions energy: -1009.465
where: short stacking energy: -407.727
Base-Backbone interact. energy: -2.591
local terms energy: -454.930764
where:
bonds (distance) C4'-P energy: -88.077
bonds (distance) P-C4' energy: -102.225
flat angles C4'-P-C4' energy: -96.886
flat angles P-C4'-P energy: -55.243
tors. eta vs tors. theta energy: -112.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1265.138541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.138541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.138541 (E_RNA)
where:
Base-Base interactions energy: -857.361
where: short stacking energy: -376.238
Base-Backbone interact. energy: -2.557
local terms energy: -405.220424
where:
bonds (distance) C4'-P energy: -82.352
bonds (distance) P-C4' energy: -88.982
flat angles C4'-P-C4' energy: -96.141
flat angles P-C4'-P energy: -52.668
tors. eta vs tors. theta energy: -85.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1262.549547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.549547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.549547 (E_RNA)
where:
Base-Base interactions energy: -858.170
where: short stacking energy: -365.530
Base-Backbone interact. energy: 3.079
local terms energy: -407.458532
where:
bonds (distance) C4'-P energy: -94.974
bonds (distance) P-C4' energy: -87.088
flat angles C4'-P-C4' energy: -85.468
flat angles P-C4'-P energy: -56.486
tors. eta vs tors. theta energy: -83.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -814.967541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.967541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.967541 (E_RNA)
where:
Base-Base interactions energy: -463.018
where: short stacking energy: -220.855
Base-Backbone interact. energy: -2.757
local terms energy: -349.192587
where:
bonds (distance) C4'-P energy: -101.735
bonds (distance) P-C4' energy: -86.093
flat angles C4'-P-C4' energy: -81.868
flat angles P-C4'-P energy: -52.334
tors. eta vs tors. theta energy: -27.163
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: 349
Temperature: 1.350000
Total energy: -509.634127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.634127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.634127 (E_RNA)
where:
Base-Base interactions energy: -228.005
where: short stacking energy: -155.680
Base-Backbone interact. energy: -1.425
local terms energy: -280.204508
where:
bonds (distance) C4'-P energy: -98.294
bonds (distance) P-C4' energy: -81.857
flat angles C4'-P-C4' energy: -71.706
flat angles P-C4'-P energy: -35.964
tors. eta vs tors. theta energy: 7.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1892.668209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.668209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.668209 (E_RNA)
where:
Base-Base interactions energy: -1341.966
where: short stacking energy: -560.255
Base-Backbone interact. energy: -2.720
local terms energy: -547.982627
where:
bonds (distance) C4'-P energy: -96.002
bonds (distance) P-C4' energy: -113.967
flat angles C4'-P-C4' energy: -107.912
flat angles P-C4'-P energy: -73.079
tors. eta vs tors. theta energy: -157.023
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: 350
Temperature: 0.950000
Total energy: -1824.334968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.334968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.334968 (E_RNA)
where:
Base-Base interactions energy: -1277.824
where: short stacking energy: -520.023
Base-Backbone interact. energy: 3.324
local terms energy: -549.835580
where:
bonds (distance) C4'-P energy: -107.834
bonds (distance) P-C4' energy: -109.267
flat angles C4'-P-C4' energy: -106.175
flat angles P-C4'-P energy: -83.547
tors. eta vs tors. theta energy: -143.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1744.721244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.721244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.721244 (E_RNA)
where:
Base-Base interactions energy: -1200.459
where: short stacking energy: -493.342
Base-Backbone interact. energy: -5.194
local terms energy: -539.067765
where:
bonds (distance) C4'-P energy: -98.603
bonds (distance) P-C4' energy: -114.776
flat angles C4'-P-C4' energy: -112.060
flat angles P-C4'-P energy: -76.739
tors. eta vs tors. theta energy: -136.890
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: 4
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1593.219966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.219966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.219966 (E_RNA)
where:
Base-Base interactions energy: -1125.628
where: short stacking energy: -471.479
Base-Backbone interact. energy: -1.747
local terms energy: -465.844990
where:
bonds (distance) C4'-P energy: -88.091
bonds (distance) P-C4' energy: -89.288
flat angles C4'-P-C4' energy: -92.665
flat angles P-C4'-P energy: -72.501
tors. eta vs tors. theta energy: -123.300
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: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1500.561183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.561183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.561183 (E_RNA)
where:
Base-Base interactions energy: -1000.766
where: short stacking energy: -415.284
Base-Backbone interact. energy: -1.968
local terms energy: -497.827150
where:
bonds (distance) C4'-P energy: -111.979
bonds (distance) P-C4' energy: -102.922
flat angles C4'-P-C4' energy: -108.371
flat angles P-C4'-P energy: -66.764
tors. eta vs tors. theta energy: -107.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1483.617927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.617927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.617927 (E_RNA)
where:
Base-Base interactions energy: -1012.828
where: short stacking energy: -402.494
Base-Backbone interact. energy: -1.939
local terms energy: -468.850619
where:
bonds (distance) C4'-P energy: -97.554
bonds (distance) P-C4' energy: -96.680
flat angles C4'-P-C4' energy: -97.238
flat angles P-C4'-P energy: -68.283
tors. eta vs tors. theta energy: -109.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1307.203563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.203563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.203563 (E_RNA)
where:
Base-Base interactions energy: -888.614
where: short stacking energy: -376.998
Base-Backbone interact. energy: -2.487
local terms energy: -416.102151
where:
bonds (distance) C4'-P energy: -82.375
bonds (distance) P-C4' energy: -91.077
flat angles C4'-P-C4' energy: -97.997
flat angles P-C4'-P energy: -48.283
tors. eta vs tors. theta energy: -96.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1258.272397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.272397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.272397 (E_RNA)
where:
Base-Base interactions energy: -879.732
where: short stacking energy: -375.628
Base-Backbone interact. energy: -3.905
local terms energy: -374.635825
where:
bonds (distance) C4'-P energy: -75.068
bonds (distance) P-C4' energy: -74.885
flat angles C4'-P-C4' energy: -91.138
flat angles P-C4'-P energy: -56.672
tors. eta vs tors. theta energy: -76.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -881.150073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.150073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.150073 (E_RNA)
where:
Base-Base interactions energy: -540.435
where: short stacking energy: -254.080
Base-Backbone interact. energy: -1.331
local terms energy: -339.384127
where:
bonds (distance) C4'-P energy: -96.762
bonds (distance) P-C4' energy: -70.826
flat angles C4'-P-C4' energy: -80.852
flat angles P-C4'-P energy: -54.595
tors. eta vs tors. theta energy: -36.349
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: 350
Temperature: 1.350000
Total energy: -531.423339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.423339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.423339 (E_RNA)
where:
Base-Base interactions energy: -232.358
where: short stacking energy: -146.054
Base-Backbone interact. energy: -1.837
local terms energy: -297.228295
where:
bonds (distance) C4'-P energy: -81.377
bonds (distance) P-C4' energy: -90.868
flat angles C4'-P-C4' energy: -83.852
flat angles P-C4'-P energy: -38.584
tors. eta vs tors. theta energy: -2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1888.098627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.098627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.098627 (E_RNA)
where:
Base-Base interactions energy: -1339.782
where: short stacking energy: -566.140
Base-Backbone interact. energy: -2.542
local terms energy: -545.775224
where:
bonds (distance) C4'-P energy: -88.680
bonds (distance) P-C4' energy: -107.863
flat angles C4'-P-C4' energy: -116.718
flat angles P-C4'-P energy: -72.611
tors. eta vs tors. theta energy: -159.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1829.231086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.231086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.231086 (E_RNA)
where:
Base-Base interactions energy: -1285.823
where: short stacking energy: -520.883
Base-Backbone interact. energy: -1.931
local terms energy: -541.477507
where:
bonds (distance) C4'-P energy: -86.369
bonds (distance) P-C4' energy: -102.655
flat angles C4'-P-C4' energy: -123.010
flat angles P-C4'-P energy: -83.765
tors. eta vs tors. theta energy: -145.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1756.300769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.300769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.300769 (E_RNA)
where:
Base-Base interactions energy: -1240.682
where: short stacking energy: -516.014
Base-Backbone interact. energy: -0.883
local terms energy: -514.735506
where:
bonds (distance) C4'-P energy: -98.194
bonds (distance) P-C4' energy: -96.701
flat angles C4'-P-C4' energy: -112.079
flat angles P-C4'-P energy: -83.486
tors. eta vs tors. theta energy: -124.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1636.823593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.823593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.823593 (E_RNA)
where:
Base-Base interactions energy: -1136.529
where: short stacking energy: -467.236
Base-Backbone interact. energy: 3.578
local terms energy: -503.872521
where:
bonds (distance) C4'-P energy: -91.901
bonds (distance) P-C4' energy: -111.024
flat angles C4'-P-C4' energy: -109.658
flat angles P-C4'-P energy: -69.899
tors. eta vs tors. theta energy: -121.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1540.880643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.880643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.880643 (E_RNA)
where:
Base-Base interactions energy: -1068.354
where: short stacking energy: -457.245
Base-Backbone interact. energy: -0.238
local terms energy: -472.289107
where:
bonds (distance) C4'-P energy: -85.922
bonds (distance) P-C4' energy: -96.631
flat angles C4'-P-C4' energy: -99.425
flat angles P-C4'-P energy: -67.348
tors. eta vs tors. theta energy: -122.963
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: 5
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1480.891551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.891551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.891551 (E_RNA)
where:
Base-Base interactions energy: -1005.027
where: short stacking energy: -421.386
Base-Backbone interact. energy: -0.745
local terms energy: -475.119119
where:
bonds (distance) C4'-P energy: -92.963
bonds (distance) P-C4' energy: -98.495
flat angles C4'-P-C4' energy: -111.272
flat angles P-C4'-P energy: -61.251
tors. eta vs tors. theta energy: -111.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1324.315490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.315490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.315490 (E_RNA)
where:
Base-Base interactions energy: -872.657
where: short stacking energy: -387.555
Base-Backbone interact. energy: -1.897
local terms energy: -449.761407
where:
bonds (distance) C4'-P energy: -74.334
bonds (distance) P-C4' energy: -99.988
flat angles C4'-P-C4' energy: -97.161
flat angles P-C4'-P energy: -68.789
tors. eta vs tors. theta energy: -109.490
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: 7
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1231.944053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.944053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.944053 (E_RNA)
where:
Base-Base interactions energy: -794.566
where: short stacking energy: -337.811
Base-Backbone interact. energy: -4.967
local terms energy: -432.411665
where:
bonds (distance) C4'-P energy: -98.417
bonds (distance) P-C4' energy: -99.175
flat angles C4'-P-C4' energy: -95.197
flat angles P-C4'-P energy: -73.041
tors. eta vs tors. theta energy: -66.582
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: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -865.398212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.398212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.398212 (E_RNA)
where:
Base-Base interactions energy: -585.827
where: short stacking energy: -249.232
Base-Backbone interact. energy: -1.207
local terms energy: -278.364019
where:
bonds (distance) C4'-P energy: -59.267
bonds (distance) P-C4' energy: -74.510
flat angles C4'-P-C4' energy: -87.609
flat angles P-C4'-P energy: -39.109
tors. eta vs tors. theta energy: -17.870
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: 351
Temperature: 1.350000
Total energy: -517.561033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.561033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.561033 (E_RNA)
where:
Base-Base interactions energy: -272.516
where: short stacking energy: -148.857
Base-Backbone interact. energy: 10.746
local terms energy: -255.790914
where:
bonds (distance) C4'-P energy: -73.523
bonds (distance) P-C4' energy: -92.133
flat angles C4'-P-C4' energy: -60.073
flat angles P-C4'-P energy: -47.655
tors. eta vs tors. theta energy: 17.594
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: 352
Temperature: 0.900000
Total energy: -1912.750807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.750807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.750807 (E_RNA)
where:
Base-Base interactions energy: -1339.878
where: short stacking energy: -565.346
Base-Backbone interact. energy: -1.356
local terms energy: -571.516539
where:
bonds (distance) C4'-P energy: -102.681
bonds (distance) P-C4' energy: -108.040
flat angles C4'-P-C4' energy: -120.078
flat angles P-C4'-P energy: -77.973
tors. eta vs tors. theta energy: -162.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1809.122648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.122648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.122648 (E_RNA)
where:
Base-Base interactions energy: -1277.149
where: short stacking energy: -520.539
Base-Backbone interact. energy: -2.794
local terms energy: -529.178947
where:
bonds (distance) C4'-P energy: -97.404
bonds (distance) P-C4' energy: -100.765
flat angles C4'-P-C4' energy: -111.266
flat angles P-C4'-P energy: -77.929
tors. eta vs tors. theta energy: -141.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1773.932212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.932212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.932212 (E_RNA)
where:
Base-Base interactions energy: -1255.097
where: short stacking energy: -532.950
Base-Backbone interact. energy: -1.866
local terms energy: -516.970168
where:
bonds (distance) C4'-P energy: -91.768
bonds (distance) P-C4' energy: -101.399
flat angles C4'-P-C4' energy: -107.870
flat angles P-C4'-P energy: -84.223
tors. eta vs tors. theta energy: -131.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1619.156066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.156066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.156066 (E_RNA)
where:
Base-Base interactions energy: -1123.820
where: short stacking energy: -480.159
Base-Backbone interact. energy: -1.028
local terms energy: -494.308318
where:
bonds (distance) C4'-P energy: -94.057
bonds (distance) P-C4' energy: -92.120
flat angles C4'-P-C4' energy: -116.173
flat angles P-C4'-P energy: -68.171
tors. eta vs tors. theta energy: -123.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1558.397922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.397922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.397922 (E_RNA)
where:
Base-Base interactions energy: -1094.269
where: short stacking energy: -469.128
Base-Backbone interact. energy: 0.731
local terms energy: -464.859632
where:
bonds (distance) C4'-P energy: -92.149
bonds (distance) P-C4' energy: -84.367
flat angles C4'-P-C4' energy: -92.215
flat angles P-C4'-P energy: -70.073
tors. eta vs tors. theta energy: -126.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1524.679453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.679453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.679453 (E_RNA)
where:
Base-Base interactions energy: -1062.136
where: short stacking energy: -424.061
Base-Backbone interact. energy: -2.290
local terms energy: -460.254088
where:
bonds (distance) C4'-P energy: -96.952
bonds (distance) P-C4' energy: -88.329
flat angles C4'-P-C4' energy: -102.625
flat angles P-C4'-P energy: -60.904
tors. eta vs tors. theta energy: -111.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1289.414956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.414956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.414956 (E_RNA)
where:
Base-Base interactions energy: -893.027
where: short stacking energy: -401.354
Base-Backbone interact. energy: 2.103
local terms energy: -398.490541
where:
bonds (distance) C4'-P energy: -70.692
bonds (distance) P-C4' energy: -82.377
flat angles C4'-P-C4' energy: -90.848
flat angles P-C4'-P energy: -69.523
tors. eta vs tors. theta energy: -85.051
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: 7
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1222.299672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.299672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.299672 (E_RNA)
where:
Base-Base interactions energy: -845.437
where: short stacking energy: -334.065
Base-Backbone interact. energy: -2.653
local terms energy: -374.209587
where:
bonds (distance) C4'-P energy: -79.315
bonds (distance) P-C4' energy: -82.055
flat angles C4'-P-C4' energy: -87.997
flat angles P-C4'-P energy: -58.667
tors. eta vs tors. theta energy: -66.174
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: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -821.350307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.350307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.350307 (E_RNA)
where:
Base-Base interactions energy: -499.121
where: short stacking energy: -242.959
Base-Backbone interact. energy: 0.828
local terms energy: -323.057183
where:
bonds (distance) C4'-P energy: -88.850
bonds (distance) P-C4' energy: -77.372
flat angles C4'-P-C4' energy: -78.695
flat angles P-C4'-P energy: -39.901
tors. eta vs tors. theta energy: -38.238
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: 352
Temperature: 1.350000
Total energy: -534.793165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.793165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.793165 (E_RNA)
where:
Base-Base interactions energy: -256.354
where: short stacking energy: -127.888
Base-Backbone interact. energy: -0.519
local terms energy: -277.919794
where:
bonds (distance) C4'-P energy: -96.607
bonds (distance) P-C4' energy: -93.661
flat angles C4'-P-C4' energy: -55.588
flat angles P-C4'-P energy: -51.252
tors. eta vs tors. theta energy: 19.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1900.925396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.925396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.925396 (E_RNA)
where:
Base-Base interactions energy: -1348.372
where: short stacking energy: -554.605
Base-Backbone interact. energy: -2.792
local terms energy: -549.761348
where:
bonds (distance) C4'-P energy: -85.896
bonds (distance) P-C4' energy: -104.048
flat angles C4'-P-C4' energy: -121.900
flat angles P-C4'-P energy: -79.462
tors. eta vs tors. theta energy: -158.455
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: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1800.896734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.896734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.896734 (E_RNA)
where:
Base-Base interactions energy: -1269.735
where: short stacking energy: -520.542
Base-Backbone interact. energy: -1.343
local terms energy: -529.818236
where:
bonds (distance) C4'-P energy: -94.726
bonds (distance) P-C4' energy: -103.651
flat angles C4'-P-C4' energy: -118.676
flat angles P-C4'-P energy: -71.846
tors. eta vs tors. theta energy: -140.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1707.257416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.257416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.257416 (E_RNA)
where:
Base-Base interactions energy: -1216.172
where: short stacking energy: -510.624
Base-Backbone interact. energy: 3.345
local terms energy: -494.430560
where:
bonds (distance) C4'-P energy: -85.067
bonds (distance) P-C4' energy: -89.208
flat angles C4'-P-C4' energy: -121.115
flat angles P-C4'-P energy: -67.762
tors. eta vs tors. theta energy: -131.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1571.600706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.600706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.600706 (E_RNA)
where:
Base-Base interactions energy: -1077.706
where: short stacking energy: -457.895
Base-Backbone interact. energy: 0.218
local terms energy: -494.113309
where:
bonds (distance) C4'-P energy: -88.254
bonds (distance) P-C4' energy: -104.192
flat angles C4'-P-C4' energy: -113.790
flat angles P-C4'-P energy: -67.265
tors. eta vs tors. theta energy: -120.613
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: 5, replica: 6
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1559.685255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.685255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.685255 (E_RNA)
where:
Base-Base interactions energy: -1097.285
where: short stacking energy: -441.647
Base-Backbone interact. energy: 0.444
local terms energy: -462.843992
where:
bonds (distance) C4'-P energy: -89.125
bonds (distance) P-C4' energy: -89.718
flat angles C4'-P-C4' energy: -103.912
flat angles P-C4'-P energy: -60.216
tors. eta vs tors. theta energy: -119.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1504.582002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.582002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.582002 (E_RNA)
where:
Base-Base interactions energy: -1008.826
where: short stacking energy: -423.980
Base-Backbone interact. energy: -2.879
local terms energy: -492.876726
where:
bonds (distance) C4'-P energy: -103.664
bonds (distance) P-C4' energy: -83.596
flat angles C4'-P-C4' energy: -103.688
flat angles P-C4'-P energy: -83.286
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: 7, replica: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1268.147022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.147022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.147022 (E_RNA)
where:
Base-Base interactions energy: -837.342
where: short stacking energy: -383.085
Base-Backbone interact. energy: -3.123
local terms energy: -427.682681
where:
bonds (distance) C4'-P energy: -98.775
bonds (distance) P-C4' energy: -87.180
flat angles C4'-P-C4' energy: -101.933
flat angles P-C4'-P energy: -55.651
tors. eta vs tors. theta energy: -84.144
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: 8, replica: 7
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1249.876060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.876060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.876060 (E_RNA)
where:
Base-Base interactions energy: -860.034
where: short stacking energy: -341.841
Base-Backbone interact. energy: -0.023
local terms energy: -389.819107
where:
bonds (distance) C4'-P energy: -80.415
bonds (distance) P-C4' energy: -86.643
flat angles C4'-P-C4' energy: -99.247
flat angles P-C4'-P energy: -52.022
tors. eta vs tors. theta energy: -71.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -832.036868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.036868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.036868 (E_RNA)
where:
Base-Base interactions energy: -530.752
where: short stacking energy: -251.661
Base-Backbone interact. energy: 0.314
local terms energy: -301.597976
where:
bonds (distance) C4'-P energy: -90.061
bonds (distance) P-C4' energy: -86.911
flat angles C4'-P-C4' energy: -64.051
flat angles P-C4'-P energy: -25.631
tors. eta vs tors. theta energy: -34.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -525.697844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.697844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.697844 (E_RNA)
where:
Base-Base interactions energy: -256.655
where: short stacking energy: -141.322
Base-Backbone interact. energy: -2.097
local terms energy: -266.945470
where:
bonds (distance) C4'-P energy: -80.461
bonds (distance) P-C4' energy: -84.073
flat angles C4'-P-C4' energy: -63.893
flat angles P-C4'-P energy: -42.907
tors. eta vs tors. theta energy: 4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1891.159830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.159830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.159830 (E_RNA)
where:
Base-Base interactions energy: -1335.800
where: short stacking energy: -553.671
Base-Backbone interact. energy: -2.419
local terms energy: -552.940546
where:
bonds (distance) C4'-P energy: -102.988
bonds (distance) P-C4' energy: -105.820
flat angles C4'-P-C4' energy: -116.056
flat angles P-C4'-P energy: -76.419
tors. eta vs tors. theta energy: -151.657
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: 2, replica: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1803.976806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.976806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.976806 (E_RNA)
where:
Base-Base interactions energy: -1275.006
where: short stacking energy: -505.800
Base-Backbone interact. energy: -1.202
local terms energy: -527.768604
where:
bonds (distance) C4'-P energy: -113.371
bonds (distance) P-C4' energy: -97.597
flat angles C4'-P-C4' energy: -103.431
flat angles P-C4'-P energy: -77.993
tors. eta vs tors. theta energy: -135.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1732.284406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.284406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.284406 (E_RNA)
where:
Base-Base interactions energy: -1214.133
where: short stacking energy: -507.253
Base-Backbone interact. energy: -3.049
local terms energy: -515.102400
where:
bonds (distance) C4'-P energy: -93.193
bonds (distance) P-C4' energy: -108.415
flat angles C4'-P-C4' energy: -110.642
flat angles P-C4'-P energy: -73.380
tors. eta vs tors. theta energy: -129.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1556.458319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.458319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.458319 (E_RNA)
where:
Base-Base interactions energy: -1047.166
where: short stacking energy: -438.411
Base-Backbone interact. energy: -1.361
local terms energy: -507.930939
where:
bonds (distance) C4'-P energy: -97.701
bonds (distance) P-C4' energy: -105.259
flat angles C4'-P-C4' energy: -105.941
flat angles P-C4'-P energy: -86.072
tors. eta vs tors. theta energy: -112.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1539.006512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.006512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.006512 (E_RNA)
where:
Base-Base interactions energy: -1076.393
where: short stacking energy: -459.774
Base-Backbone interact. energy: -3.423
local terms energy: -459.190585
where:
bonds (distance) C4'-P energy: -84.975
bonds (distance) P-C4' energy: -83.965
flat angles C4'-P-C4' energy: -108.692
flat angles P-C4'-P energy: -73.474
tors. eta vs tors. theta energy: -108.085
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: 6
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1531.171414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.171414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.171414 (E_RNA)
where:
Base-Base interactions energy: -1045.493
where: short stacking energy: -453.594
Base-Backbone interact. energy: 0.098
local terms energy: -485.776429
where:
bonds (distance) C4'-P energy: -81.289
bonds (distance) P-C4' energy: -107.862
flat angles C4'-P-C4' energy: -105.545
flat angles P-C4'-P energy: -62.902
tors. eta vs tors. theta energy: -128.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1312.805394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.805394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.805394 (E_RNA)
where:
Base-Base interactions energy: -889.721
where: short stacking energy: -371.505
Base-Backbone interact. energy: -1.692
local terms energy: -421.392536
where:
bonds (distance) C4'-P energy: -83.380
bonds (distance) P-C4' energy: -89.550
flat angles C4'-P-C4' energy: -90.060
flat angles P-C4'-P energy: -76.996
tors. eta vs tors. theta energy: -81.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1228.370267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.370267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.370267 (E_RNA)
where:
Base-Base interactions energy: -843.007
where: short stacking energy: -366.695
Base-Backbone interact. energy: -2.318
local terms energy: -383.045786
where:
bonds (distance) C4'-P energy: -75.440
bonds (distance) P-C4' energy: -80.888
flat angles C4'-P-C4' energy: -93.330
flat angles P-C4'-P energy: -57.833
tors. eta vs tors. theta energy: -75.555
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: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -825.293962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.293962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.293962 (E_RNA)
where:
Base-Base interactions energy: -497.943
where: short stacking energy: -239.819
Base-Backbone interact. energy: -1.488
local terms energy: -325.862856
where:
bonds (distance) C4'-P energy: -83.050
bonds (distance) P-C4' energy: -91.484
flat angles C4'-P-C4' energy: -72.023
flat angles P-C4'-P energy: -52.305
tors. eta vs tors. theta energy: -27.001
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: 354
Temperature: 1.350000
Total energy: -551.044540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.044540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.044540 (E_RNA)
where:
Base-Base interactions energy: -270.190
where: short stacking energy: -154.259
Base-Backbone interact. energy: -1.682
local terms energy: -279.172102
where:
bonds (distance) C4'-P energy: -78.077
bonds (distance) P-C4' energy: -98.839
flat angles C4'-P-C4' energy: -63.762
flat angles P-C4'-P energy: -34.948
tors. eta vs tors. theta energy: -3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1918.277606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.277606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.277606 (E_RNA)
where:
Base-Base interactions energy: -1343.101
where: short stacking energy: -538.139
Base-Backbone interact. energy: -4.151
local terms energy: -571.025502
where:
bonds (distance) C4'-P energy: -99.978
bonds (distance) P-C4' energy: -109.253
flat angles C4'-P-C4' energy: -117.038
flat angles P-C4'-P energy: -84.537
tors. eta vs tors. theta energy: -160.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1830.840704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.840704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.840704 (E_RNA)
where:
Base-Base interactions energy: -1281.681
where: short stacking energy: -527.904
Base-Backbone interact. energy: -1.292
local terms energy: -547.868489
where:
bonds (distance) C4'-P energy: -99.653
bonds (distance) P-C4' energy: -109.114
flat angles C4'-P-C4' energy: -123.467
flat angles P-C4'-P energy: -82.484
tors. eta vs tors. theta energy: -133.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1740.348757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.348757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.348757 (E_RNA)
where:
Base-Base interactions energy: -1203.976
where: short stacking energy: -514.779
Base-Backbone interact. energy: -2.911
local terms energy: -533.461681
where:
bonds (distance) C4'-P energy: -96.820
bonds (distance) P-C4' energy: -100.500
flat angles C4'-P-C4' energy: -116.878
flat angles P-C4'-P energy: -83.101
tors. eta vs tors. theta energy: -136.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1626.546170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.546170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.546170 (E_RNA)
where:
Base-Base interactions energy: -1146.298
where: short stacking energy: -484.724
Base-Backbone interact. energy: -1.337
local terms energy: -478.910361
where:
bonds (distance) C4'-P energy: -79.066
bonds (distance) P-C4' energy: -94.025
flat angles C4'-P-C4' energy: -110.461
flat angles P-C4'-P energy: -64.163
tors. eta vs tors. theta energy: -131.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1533.684248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.684248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.684248 (E_RNA)
where:
Base-Base interactions energy: -1074.783
where: short stacking energy: -437.750
Base-Backbone interact. energy: -4.355
local terms energy: -454.546330
where:
bonds (distance) C4'-P energy: -86.501
bonds (distance) P-C4' energy: -88.840
flat angles C4'-P-C4' energy: -97.066
flat angles P-C4'-P energy: -70.482
tors. eta vs tors. theta energy: -111.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1509.204138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.204138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.204138 (E_RNA)
where:
Base-Base interactions energy: -1036.490
where: short stacking energy: -445.748
Base-Backbone interact. energy: 0.362
local terms energy: -473.075470
where:
bonds (distance) C4'-P energy: -102.676
bonds (distance) P-C4' energy: -85.221
flat angles C4'-P-C4' energy: -101.187
flat angles P-C4'-P energy: -65.636
tors. eta vs tors. theta energy: -118.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1313.496604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.496604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.496604 (E_RNA)
where:
Base-Base interactions energy: -879.056
where: short stacking energy: -389.961
Base-Backbone interact. energy: 0.992
local terms energy: -435.431983
where:
bonds (distance) C4'-P energy: -94.732
bonds (distance) P-C4' energy: -91.155
flat angles C4'-P-C4' energy: -92.967
flat angles P-C4'-P energy: -58.364
tors. eta vs tors. theta energy: -98.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1202.664582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.664582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.664582 (E_RNA)
where:
Base-Base interactions energy: -822.066
where: short stacking energy: -347.921
Base-Backbone interact. energy: -4.716
local terms energy: -375.883241
where:
bonds (distance) C4'-P energy: -74.528
bonds (distance) P-C4' energy: -78.009
flat angles C4'-P-C4' energy: -82.262
flat angles P-C4'-P energy: -61.241
tors. eta vs tors. theta energy: -79.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -827.986136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.986136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.986136 (E_RNA)
where:
Base-Base interactions energy: -497.337
where: short stacking energy: -248.396
Base-Backbone interact. energy: -2.378
local terms energy: -328.271352
where:
bonds (distance) C4'-P energy: -91.874
bonds (distance) P-C4' energy: -83.354
flat angles C4'-P-C4' energy: -85.687
flat angles P-C4'-P energy: -36.412
tors. eta vs tors. theta energy: -30.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -594.305232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.305232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.305232 (E_RNA)
where:
Base-Base interactions energy: -295.586
where: short stacking energy: -152.917
Base-Backbone interact. energy: -1.562
local terms energy: -297.156993
where:
bonds (distance) C4'-P energy: -71.733
bonds (distance) P-C4' energy: -102.176
flat angles C4'-P-C4' energy: -77.371
flat angles P-C4'-P energy: -35.630
tors. eta vs tors. theta energy: -10.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1909.113528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.113528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.113528 (E_RNA)
where:
Base-Base interactions energy: -1358.335
where: short stacking energy: -571.437
Base-Backbone interact. energy: -0.410
local terms energy: -550.368370
where:
bonds (distance) C4'-P energy: -88.122
bonds (distance) P-C4' energy: -102.603
flat angles C4'-P-C4' energy: -121.857
flat angles P-C4'-P energy: -83.345
tors. eta vs tors. theta energy: -154.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1830.014269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.014269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.014269 (E_RNA)
where:
Base-Base interactions energy: -1282.968
where: short stacking energy: -519.854
Base-Backbone interact. energy: 0.327
local terms energy: -547.373374
where:
bonds (distance) C4'-P energy: -105.399
bonds (distance) P-C4' energy: -94.875
flat angles C4'-P-C4' energy: -114.410
flat angles P-C4'-P energy: -86.918
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: 3, replica: 3
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1722.207668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.207668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.207668 (E_RNA)
where:
Base-Base interactions energy: -1192.687
where: short stacking energy: -513.933
Base-Backbone interact. energy: -2.729
local terms energy: -526.792239
where:
bonds (distance) C4'-P energy: -89.964
bonds (distance) P-C4' energy: -98.820
flat angles C4'-P-C4' energy: -113.598
flat angles P-C4'-P energy: -80.045
tors. eta vs tors. theta energy: -144.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1661.859742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.859742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.859742 (E_RNA)
where:
Base-Base interactions energy: -1150.454
where: short stacking energy: -476.809
Base-Backbone interact. energy: -3.017
local terms energy: -508.388379
where:
bonds (distance) C4'-P energy: -93.875
bonds (distance) P-C4' energy: -110.818
flat angles C4'-P-C4' energy: -106.980
flat angles P-C4'-P energy: -66.060
tors. eta vs tors. theta energy: -130.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1547.475926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.475926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.475926 (E_RNA)
where:
Base-Base interactions energy: -1047.227
where: short stacking energy: -432.667
Base-Backbone interact. energy: -0.894
local terms energy: -499.354752
where:
bonds (distance) C4'-P energy: -96.072
bonds (distance) P-C4' energy: -100.196
flat angles C4'-P-C4' energy: -119.182
flat angles P-C4'-P energy: -60.661
tors. eta vs tors. theta energy: -123.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1499.770223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.770223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.770223 (E_RNA)
where:
Base-Base interactions energy: -1025.549
where: short stacking energy: -402.768
Base-Backbone interact. energy: -0.929
local terms energy: -473.292675
where:
bonds (distance) C4'-P energy: -81.106
bonds (distance) P-C4' energy: -100.379
flat angles C4'-P-C4' energy: -97.634
flat angles P-C4'-P energy: -81.270
tors. eta vs tors. theta energy: -112.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1271.624695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.624695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.624695 (E_RNA)
where:
Base-Base interactions energy: -865.317
where: short stacking energy: -366.616
Base-Backbone interact. energy: -0.856
local terms energy: -405.451473
where:
bonds (distance) C4'-P energy: -71.525
bonds (distance) P-C4' energy: -78.243
flat angles C4'-P-C4' energy: -105.245
flat angles P-C4'-P energy: -57.534
tors. eta vs tors. theta energy: -92.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1195.644168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.644168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.644168 (E_RNA)
where:
Base-Base interactions energy: -821.295
where: short stacking energy: -339.762
Base-Backbone interact. energy: 2.547
local terms energy: -376.896016
where:
bonds (distance) C4'-P energy: -87.840
bonds (distance) P-C4' energy: -73.244
flat angles C4'-P-C4' energy: -97.930
flat angles P-C4'-P energy: -54.522
tors. eta vs tors. theta energy: -63.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -854.910373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.910373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.910373 (E_RNA)
where:
Base-Base interactions energy: -519.500
where: short stacking energy: -241.172
Base-Backbone interact. energy: -0.059
local terms energy: -335.350689
where:
bonds (distance) C4'-P energy: -94.612
bonds (distance) P-C4' energy: -79.687
flat angles C4'-P-C4' energy: -83.796
flat angles P-C4'-P energy: -38.757
tors. eta vs tors. theta energy: -38.499
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: 356
Temperature: 1.350000
Total energy: -585.992032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.992032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.992032 (E_RNA)
where:
Base-Base interactions energy: -305.700
where: short stacking energy: -145.838
Base-Backbone interact. energy: 3.172
local terms energy: -283.463152
where:
bonds (distance) C4'-P energy: -80.722
bonds (distance) P-C4' energy: -87.465
flat angles C4'-P-C4' energy: -73.091
flat angles P-C4'-P energy: -42.411
tors. eta vs tors. theta energy: 0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1898.873544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.873544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.873544 (E_RNA)
where:
Base-Base interactions energy: -1337.812
where: short stacking energy: -560.402
Base-Backbone interact. energy: -3.208
local terms energy: -557.852931
where:
bonds (distance) C4'-P energy: -90.517
bonds (distance) P-C4' energy: -116.501
flat angles C4'-P-C4' energy: -112.685
flat angles P-C4'-P energy: -82.520
tors. eta vs tors. theta energy: -155.630
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: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1803.594686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.594686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.594686 (E_RNA)
where:
Base-Base interactions energy: -1285.045
where: short stacking energy: -533.074
Base-Backbone interact. energy: 4.037
local terms energy: -522.586548
where:
bonds (distance) C4'-P energy: -76.302
bonds (distance) P-C4' energy: -107.182
flat angles C4'-P-C4' energy: -111.793
flat angles P-C4'-P energy: -80.107
tors. eta vs tors. theta energy: -147.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1730.642636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.642636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.642636 (E_RNA)
where:
Base-Base interactions energy: -1201.500
where: short stacking energy: -504.644
Base-Backbone interact. energy: -2.787
local terms energy: -526.355603
where:
bonds (distance) C4'-P energy: -100.988
bonds (distance) P-C4' energy: -104.421
flat angles C4'-P-C4' energy: -109.354
flat angles P-C4'-P energy: -75.447
tors. eta vs tors. theta energy: -136.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1628.248221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.248221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.248221 (E_RNA)
where:
Base-Base interactions energy: -1111.375
where: short stacking energy: -469.677
Base-Backbone interact. energy: -2.318
local terms energy: -514.555142
where:
bonds (distance) C4'-P energy: -89.862
bonds (distance) P-C4' energy: -89.658
flat angles C4'-P-C4' energy: -115.667
flat angles P-C4'-P energy: -80.139
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: 5, replica: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1529.654758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.654758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.654758 (E_RNA)
where:
Base-Base interactions energy: -1046.693
where: short stacking energy: -442.013
Base-Backbone interact. energy: -0.231
local terms energy: -482.730316
where:
bonds (distance) C4'-P energy: -90.815
bonds (distance) P-C4' energy: -101.823
flat angles C4'-P-C4' energy: -105.881
flat angles P-C4'-P energy: -64.511
tors. eta vs tors. theta energy: -119.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1497.593061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.593061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.593061 (E_RNA)
where:
Base-Base interactions energy: -1055.275
where: short stacking energy: -443.356
Base-Backbone interact. energy: -2.695
local terms energy: -439.622990
where:
bonds (distance) C4'-P energy: -70.273
bonds (distance) P-C4' energy: -97.953
flat angles C4'-P-C4' energy: -96.106
flat angles P-C4'-P energy: -59.579
tors. eta vs tors. theta energy: -115.712
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: 7, replica: 7
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1281.422447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.422447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.422447 (E_RNA)
where:
Base-Base interactions energy: -873.333
where: short stacking energy: -362.055
Base-Backbone interact. energy: -0.858
local terms energy: -407.231124
where:
bonds (distance) C4'-P energy: -72.563
bonds (distance) P-C4' energy: -95.457
flat angles C4'-P-C4' energy: -85.682
flat angles P-C4'-P energy: -68.119
tors. eta vs tors. theta energy: -85.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1212.855353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.855353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.855353 (E_RNA)
where:
Base-Base interactions energy: -820.851
where: short stacking energy: -355.648
Base-Backbone interact. energy: -1.454
local terms energy: -390.550495
where:
bonds (distance) C4'-P energy: -85.140
bonds (distance) P-C4' energy: -100.212
flat angles C4'-P-C4' energy: -72.602
flat angles P-C4'-P energy: -67.001
tors. eta vs tors. theta energy: -65.596
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: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -805.861286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.861286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.861286 (E_RNA)
where:
Base-Base interactions energy: -505.572
where: short stacking energy: -216.791
Base-Backbone interact. energy: 11.032
local terms energy: -311.320692
where:
bonds (distance) C4'-P energy: -88.823
bonds (distance) P-C4' energy: -88.233
flat angles C4'-P-C4' energy: -77.587
flat angles P-C4'-P energy: -43.465
tors. eta vs tors. theta energy: -13.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -532.387371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.387371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.387371 (E_RNA)
where:
Base-Base interactions energy: -285.914
where: short stacking energy: -177.922
Base-Backbone interact. energy: 7.619
local terms energy: -254.092498
where:
bonds (distance) C4'-P energy: -59.177
bonds (distance) P-C4' energy: -94.083
flat angles C4'-P-C4' energy: -75.418
flat angles P-C4'-P energy: -21.383
tors. eta vs tors. theta energy: -4.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1921.850112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.850112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.850112 (E_RNA)
where:
Base-Base interactions energy: -1361.563
where: short stacking energy: -531.546
Base-Backbone interact. energy: -4.543
local terms energy: -555.743811
where:
bonds (distance) C4'-P energy: -104.842
bonds (distance) P-C4' energy: -99.150
flat angles C4'-P-C4' energy: -116.285
flat angles P-C4'-P energy: -76.113
tors. eta vs tors. theta energy: -159.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1826.914289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.914289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.914289 (E_RNA)
where:
Base-Base interactions energy: -1271.369
where: short stacking energy: -538.941
Base-Backbone interact. energy: -3.407
local terms energy: -552.138236
where:
bonds (distance) C4'-P energy: -101.911
bonds (distance) P-C4' energy: -111.956
flat angles C4'-P-C4' energy: -106.924
flat angles P-C4'-P energy: -81.325
tors. eta vs tors. theta energy: -150.023
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: 358
Temperature: 1.000000
Total energy: -1764.422419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.422419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.422419 (E_RNA)
where:
Base-Base interactions energy: -1204.789
where: short stacking energy: -517.426
Base-Backbone interact. energy: -2.766
local terms energy: -556.867098
where:
bonds (distance) C4'-P energy: -99.266
bonds (distance) P-C4' energy: -110.741
flat angles C4'-P-C4' energy: -121.090
flat angles P-C4'-P energy: -77.665
tors. eta vs tors. theta energy: -148.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1615.819249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.819249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.819249 (E_RNA)
where:
Base-Base interactions energy: -1094.246
where: short stacking energy: -457.362
Base-Backbone interact. energy: -0.565
local terms energy: -521.008913
where:
bonds (distance) C4'-P energy: -87.962
bonds (distance) P-C4' energy: -115.946
flat angles C4'-P-C4' energy: -107.847
flat angles P-C4'-P energy: -81.509
tors. eta vs tors. theta energy: -127.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1554.107022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.107022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.107022 (E_RNA)
where:
Base-Base interactions energy: -1042.803
where: short stacking energy: -454.809
Base-Backbone interact. energy: -0.624
local terms energy: -510.680805
where:
bonds (distance) C4'-P energy: -93.488
bonds (distance) P-C4' energy: -89.127
flat angles C4'-P-C4' energy: -113.456
flat angles P-C4'-P energy: -74.337
tors. eta vs tors. theta energy: -140.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1502.546979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.546979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.546979 (E_RNA)
where:
Base-Base interactions energy: -1059.725
where: short stacking energy: -446.087
Base-Backbone interact. energy: -1.016
local terms energy: -441.805945
where:
bonds (distance) C4'-P energy: -72.543
bonds (distance) P-C4' energy: -88.823
flat angles C4'-P-C4' energy: -103.083
flat angles P-C4'-P energy: -59.570
tors. eta vs tors. theta energy: -117.787
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: 7
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1319.542591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.542591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.542591 (E_RNA)
where:
Base-Base interactions energy: -924.864
where: short stacking energy: -373.051
Base-Backbone interact. energy: -2.495
local terms energy: -392.183007
where:
bonds (distance) C4'-P energy: -79.201
bonds (distance) P-C4' energy: -83.681
flat angles C4'-P-C4' energy: -96.720
flat angles P-C4'-P energy: -55.838
tors. eta vs tors. theta energy: -76.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1185.803194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.803194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.803194 (E_RNA)
where:
Base-Base interactions energy: -809.114
where: short stacking energy: -342.994
Base-Backbone interact. energy: 0.483
local terms energy: -377.172839
where:
bonds (distance) C4'-P energy: -87.047
bonds (distance) P-C4' energy: -64.571
flat angles C4'-P-C4' energy: -93.945
flat angles P-C4'-P energy: -50.741
tors. eta vs tors. theta energy: -80.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -824.028794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.028794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.028794 (E_RNA)
where:
Base-Base interactions energy: -505.453
where: short stacking energy: -234.886
Base-Backbone interact. energy: -1.691
local terms energy: -316.884125
where:
bonds (distance) C4'-P energy: -93.093
bonds (distance) P-C4' energy: -70.775
flat angles C4'-P-C4' energy: -77.806
flat angles P-C4'-P energy: -50.770
tors. eta vs tors. theta energy: -24.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -527.333320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.333320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.333320 (E_RNA)
where:
Base-Base interactions energy: -253.285
where: short stacking energy: -168.586
Base-Backbone interact. energy: -0.218
local terms energy: -273.830403
where:
bonds (distance) C4'-P energy: -73.772
bonds (distance) P-C4' energy: -94.131
flat angles C4'-P-C4' energy: -69.658
flat angles P-C4'-P energy: -34.832
tors. eta vs tors. theta energy: -1.437
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: 359
Temperature: 0.900000
Total energy: -1895.691626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.691626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.691626 (E_RNA)
where:
Base-Base interactions energy: -1295.548
where: short stacking energy: -535.455
Base-Backbone interact. energy: -2.575
local terms energy: -597.568566
where:
bonds (distance) C4'-P energy: -108.051
bonds (distance) P-C4' energy: -116.900
flat angles C4'-P-C4' energy: -130.766
flat angles P-C4'-P energy: -89.824
tors. eta vs tors. theta energy: -152.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1844.096529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.096529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.096529 (E_RNA)
where:
Base-Base interactions energy: -1309.467
where: short stacking energy: -540.724
Base-Backbone interact. energy: 0.312
local terms energy: -534.941390
where:
bonds (distance) C4'-P energy: -96.158
bonds (distance) P-C4' energy: -102.031
flat angles C4'-P-C4' energy: -113.516
flat angles P-C4'-P energy: -81.716
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: 3, replica: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1766.463287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.463287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.463287 (E_RNA)
where:
Base-Base interactions energy: -1226.237
where: short stacking energy: -523.945
Base-Backbone interact. energy: -2.286
local terms energy: -537.940041
where:
bonds (distance) C4'-P energy: -97.409
bonds (distance) P-C4' energy: -110.170
flat angles C4'-P-C4' energy: -124.176
flat angles P-C4'-P energy: -72.418
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: 4, replica: 6
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1629.572210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.572210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.572210 (E_RNA)
where:
Base-Base interactions energy: -1095.606
where: short stacking energy: -485.627
Base-Backbone interact. energy: 2.780
local terms energy: -536.746522
where:
bonds (distance) C4'-P energy: -105.033
bonds (distance) P-C4' energy: -97.680
flat angles C4'-P-C4' energy: -111.053
flat angles P-C4'-P energy: -80.210
tors. eta vs tors. theta energy: -142.771
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: 5
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1588.182197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.182197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.182197 (E_RNA)
where:
Base-Base interactions energy: -1120.704
where: short stacking energy: -470.966
Base-Backbone interact. energy: 0.634
local terms energy: -468.111855
where:
bonds (distance) C4'-P energy: -80.897
bonds (distance) P-C4' energy: -94.100
flat angles C4'-P-C4' energy: -102.315
flat angles P-C4'-P energy: -73.216
tors. eta vs tors. theta energy: -117.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1483.367228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.367228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.367228 (E_RNA)
where:
Base-Base interactions energy: -1019.477
where: short stacking energy: -418.574
Base-Backbone interact. energy: -2.146
local terms energy: -461.743888
where:
bonds (distance) C4'-P energy: -101.572
bonds (distance) P-C4' energy: -102.703
flat angles C4'-P-C4' energy: -91.822
flat angles P-C4'-P energy: -66.183
tors. eta vs tors. theta energy: -99.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1303.828048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.828048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.828048 (E_RNA)
where:
Base-Base interactions energy: -897.550
where: short stacking energy: -382.870
Base-Backbone interact. energy: -1.122
local terms energy: -405.156142
where:
bonds (distance) C4'-P energy: -71.781
bonds (distance) P-C4' energy: -82.313
flat angles C4'-P-C4' energy: -100.763
flat angles P-C4'-P energy: -71.996
tors. eta vs tors. theta energy: -78.302
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: 359
Temperature: 1.250000
Total energy: -1177.371516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.371516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.371516 (E_RNA)
where:
Base-Base interactions energy: -769.565
where: short stacking energy: -330.981
Base-Backbone interact. energy: -2.893
local terms energy: -404.914034
where:
bonds (distance) C4'-P energy: -85.279
bonds (distance) P-C4' energy: -90.383
flat angles C4'-P-C4' energy: -86.300
flat angles P-C4'-P energy: -59.087
tors. eta vs tors. theta energy: -83.865
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: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -806.529011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.529011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.529011 (E_RNA)
where:
Base-Base interactions energy: -488.432
where: short stacking energy: -210.222
Base-Backbone interact. energy: 2.052
local terms energy: -320.149143
where:
bonds (distance) C4'-P energy: -77.454
bonds (distance) P-C4' energy: -79.847
flat angles C4'-P-C4' energy: -97.019
flat angles P-C4'-P energy: -43.557
tors. eta vs tors. theta energy: -22.272
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: 359
Temperature: 1.350000
Total energy: -520.991658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.991658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.991658 (E_RNA)
where:
Base-Base interactions energy: -237.752
where: short stacking energy: -157.843
Base-Backbone interact. energy: -3.108
local terms energy: -280.132204
where:
bonds (distance) C4'-P energy: -81.788
bonds (distance) P-C4' energy: -92.166
flat angles C4'-P-C4' energy: -59.877
flat angles P-C4'-P energy: -44.606
tors. eta vs tors. theta energy: -1.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1871.002426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.002426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.002426 (E_RNA)
where:
Base-Base interactions energy: -1315.236
where: short stacking energy: -543.639
Base-Backbone interact. energy: -1.679
local terms energy: -554.087600
where:
bonds (distance) C4'-P energy: -103.508
bonds (distance) P-C4' energy: -102.192
flat angles C4'-P-C4' energy: -124.679
flat angles P-C4'-P energy: -76.344
tors. eta vs tors. theta energy: -147.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1849.743949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.743949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.743949 (E_RNA)
where:
Base-Base interactions energy: -1293.855
where: short stacking energy: -541.732
Base-Backbone interact. energy: -2.277
local terms energy: -553.611923
where:
bonds (distance) C4'-P energy: -96.179
bonds (distance) P-C4' energy: -116.153
flat angles C4'-P-C4' energy: -123.828
flat angles P-C4'-P energy: -75.900
tors. eta vs tors. theta energy: -141.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1760.056625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.056625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.056625 (E_RNA)
where:
Base-Base interactions energy: -1233.456
where: short stacking energy: -517.690
Base-Backbone interact. energy: -4.564
local terms energy: -522.037046
where:
bonds (distance) C4'-P energy: -93.122
bonds (distance) P-C4' energy: -102.215
flat angles C4'-P-C4' energy: -118.537
flat angles P-C4'-P energy: -71.834
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: 4, replica: 6
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1607.064950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.064950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.064950 (E_RNA)
where:
Base-Base interactions energy: -1104.017
where: short stacking energy: -465.586
Base-Backbone interact. energy: -1.917
local terms energy: -501.130449
where:
bonds (distance) C4'-P energy: -79.343
bonds (distance) P-C4' energy: -99.504
flat angles C4'-P-C4' energy: -115.139
flat angles P-C4'-P energy: -78.229
tors. eta vs tors. theta energy: -128.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1607.173676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.173676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.173676 (E_RNA)
where:
Base-Base interactions energy: -1118.380
where: short stacking energy: -469.458
Base-Backbone interact. energy: -1.604
local terms energy: -487.189507
where:
bonds (distance) C4'-P energy: -97.507
bonds (distance) P-C4' energy: -83.160
flat angles C4'-P-C4' energy: -108.883
flat angles P-C4'-P energy: -81.827
tors. eta vs tors. theta energy: -115.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1478.141264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.141264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.141264 (E_RNA)
where:
Base-Base interactions energy: -1032.788
where: short stacking energy: -445.252
Base-Backbone interact. energy: -0.897
local terms energy: -444.455724
where:
bonds (distance) C4'-P energy: -83.778
bonds (distance) P-C4' energy: -86.328
flat angles C4'-P-C4' energy: -109.146
flat angles P-C4'-P energy: -65.380
tors. eta vs tors. theta energy: -99.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1267.287379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.287379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.287379 (E_RNA)
where:
Base-Base interactions energy: -834.235
where: short stacking energy: -355.988
Base-Backbone interact. energy: -2.009
local terms energy: -431.043445
where:
bonds (distance) C4'-P energy: -93.026
bonds (distance) P-C4' energy: -88.603
flat angles C4'-P-C4' energy: -106.493
flat angles P-C4'-P energy: -56.839
tors. eta vs tors. theta energy: -86.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1206.590654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.590654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.590654 (E_RNA)
where:
Base-Base interactions energy: -816.110
where: short stacking energy: -352.393
Base-Backbone interact. energy: -0.909
local terms energy: -389.571727
where:
bonds (distance) C4'-P energy: -89.734
bonds (distance) P-C4' energy: -87.648
flat angles C4'-P-C4' energy: -88.725
flat angles P-C4'-P energy: -51.414
tors. eta vs tors. theta energy: -72.051
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: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -824.143689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.143689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.143689 (E_RNA)
where:
Base-Base interactions energy: -522.900
where: short stacking energy: -226.157
Base-Backbone interact. energy: 8.727
local terms energy: -309.971383
where:
bonds (distance) C4'-P energy: -69.856
bonds (distance) P-C4' energy: -92.830
flat angles C4'-P-C4' energy: -77.563
flat angles P-C4'-P energy: -47.968
tors. eta vs tors. theta energy: -21.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -551.973549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.973549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.973549 (E_RNA)
where:
Base-Base interactions energy: -248.427
where: short stacking energy: -136.509
Base-Backbone interact. energy: 0.855
local terms energy: -304.401871
where:
bonds (distance) C4'-P energy: -92.619
bonds (distance) P-C4' energy: -80.497
flat angles C4'-P-C4' energy: -74.203
flat angles P-C4'-P energy: -46.757
tors. eta vs tors. theta energy: -10.326
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: 1, replica: 1
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1894.093853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.093853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.093853 (E_RNA)
where:
Base-Base interactions energy: -1345.620
where: short stacking energy: -553.851
Base-Backbone interact. energy: -0.970
local terms energy: -547.503771
where:
bonds (distance) C4'-P energy: -100.691
bonds (distance) P-C4' energy: -85.518
flat angles C4'-P-C4' energy: -122.238
flat angles P-C4'-P energy: -86.558
tors. eta vs tors. theta energy: -152.498
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: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1824.563636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.563636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.563636 (E_RNA)
where:
Base-Base interactions energy: -1286.698
where: short stacking energy: -528.173
Base-Backbone interact. energy: -0.891
local terms energy: -536.974635
where:
bonds (distance) C4'-P energy: -96.622
bonds (distance) P-C4' energy: -103.677
flat angles C4'-P-C4' energy: -111.258
flat angles P-C4'-P energy: -86.207
tors. eta vs tors. theta energy: -139.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1744.378042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.378042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.378042 (E_RNA)
where:
Base-Base interactions energy: -1227.964
where: short stacking energy: -531.847
Base-Backbone interact. energy: -0.712
local terms energy: -515.702542
where:
bonds (distance) C4'-P energy: -93.811
bonds (distance) P-C4' energy: -91.541
flat angles C4'-P-C4' energy: -111.086
flat angles P-C4'-P energy: -76.123
tors. eta vs tors. theta energy: -143.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1619.898383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.898383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.898383 (E_RNA)
where:
Base-Base interactions energy: -1157.300
where: short stacking energy: -462.206
Base-Backbone interact. energy: -4.785
local terms energy: -457.813170
where:
bonds (distance) C4'-P energy: -97.823
bonds (distance) P-C4' energy: -92.287
flat angles C4'-P-C4' energy: -101.016
flat angles P-C4'-P energy: -55.767
tors. eta vs tors. theta energy: -110.921
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: 5, replica: 5
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1591.192094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.192094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.192094 (E_RNA)
where:
Base-Base interactions energy: -1118.126
where: short stacking energy: -462.289
Base-Backbone interact. energy: -3.125
local terms energy: -469.941081
where:
bonds (distance) C4'-P energy: -83.682
bonds (distance) P-C4' energy: -86.761
flat angles C4'-P-C4' energy: -100.470
flat angles P-C4'-P energy: -68.259
tors. eta vs tors. theta energy: -130.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1456.535726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.535726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.535726 (E_RNA)
where:
Base-Base interactions energy: -1000.351
where: short stacking energy: -423.276
Base-Backbone interact. energy: -2.687
local terms energy: -453.497734
where:
bonds (distance) C4'-P energy: -83.298
bonds (distance) P-C4' energy: -97.296
flat angles C4'-P-C4' energy: -95.898
flat angles P-C4'-P energy: -61.294
tors. eta vs tors. theta energy: -115.712
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: 7, replica: 7
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1214.536528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.536528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.536528 (E_RNA)
where:
Base-Base interactions energy: -827.465
where: short stacking energy: -338.325
Base-Backbone interact. energy: -0.468
local terms energy: -386.603994
where:
bonds (distance) C4'-P energy: -68.374
bonds (distance) P-C4' energy: -96.863
flat angles C4'-P-C4' energy: -94.064
flat angles P-C4'-P energy: -66.833
tors. eta vs tors. theta energy: -60.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1211.399067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.399067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.399067 (E_RNA)
where:
Base-Base interactions energy: -811.794
where: short stacking energy: -358.316
Base-Backbone interact. energy: 0.171
local terms energy: -399.775877
where:
bonds (distance) C4'-P energy: -90.134
bonds (distance) P-C4' energy: -88.540
flat angles C4'-P-C4' energy: -94.829
flat angles P-C4'-P energy: -53.091
tors. eta vs tors. theta energy: -73.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -727.309580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.309580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.309580 (E_RNA)
where:
Base-Base interactions energy: -419.223
where: short stacking energy: -173.636
Base-Backbone interact. energy: -1.667
local terms energy: -306.420160
where:
bonds (distance) C4'-P energy: -90.228
bonds (distance) P-C4' energy: -84.533
flat angles C4'-P-C4' energy: -78.761
flat angles P-C4'-P energy: -39.235
tors. eta vs tors. theta energy: -13.664
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: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -531.554336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.554336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.554336 (E_RNA)
where:
Base-Base interactions energy: -254.326
where: short stacking energy: -144.713
Base-Backbone interact. energy: 2.078
local terms energy: -279.305895
where:
bonds (distance) C4'-P energy: -80.054
bonds (distance) P-C4' energy: -75.959
flat angles C4'-P-C4' energy: -85.470
flat angles P-C4'-P energy: -39.031
tors. eta vs tors. theta energy: 1.208
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: 362
Temperature: 0.900000
Total energy: -1904.463899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.463899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.463899 (E_RNA)
where:
Base-Base interactions energy: -1354.968
where: short stacking energy: -550.756
Base-Backbone interact. energy: -0.728
local terms energy: -548.768827
where:
bonds (distance) C4'-P energy: -91.850
bonds (distance) P-C4' energy: -105.675
flat angles C4'-P-C4' energy: -116.383
flat angles P-C4'-P energy: -82.445
tors. eta vs tors. theta energy: -152.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1818.454431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.454431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.454431 (E_RNA)
where:
Base-Base interactions energy: -1281.623
where: short stacking energy: -516.637
Base-Backbone interact. energy: -0.954
local terms energy: -535.876829
where:
bonds (distance) C4'-P energy: -93.785
bonds (distance) P-C4' energy: -97.846
flat angles C4'-P-C4' energy: -117.815
flat angles P-C4'-P energy: -79.334
tors. eta vs tors. theta energy: -147.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1723.134037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.134037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.134037 (E_RNA)
where:
Base-Base interactions energy: -1208.800
where: short stacking energy: -500.699
Base-Backbone interact. energy: -0.980
local terms energy: -513.353847
where:
bonds (distance) C4'-P energy: -91.405
bonds (distance) P-C4' energy: -100.877
flat angles C4'-P-C4' energy: -103.042
flat angles P-C4'-P energy: -83.122
tors. eta vs tors. theta energy: -134.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1640.096411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.096411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.096411 (E_RNA)
where:
Base-Base interactions energy: -1151.224
where: short stacking energy: -475.601
Base-Backbone interact. energy: -1.872
local terms energy: -487.000241
where:
bonds (distance) C4'-P energy: -104.481
bonds (distance) P-C4' energy: -90.324
flat angles C4'-P-C4' energy: -106.946
flat angles P-C4'-P energy: -60.646
tors. eta vs tors. theta energy: -124.603
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: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1575.252777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.252777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.252777 (E_RNA)
where:
Base-Base interactions energy: -1112.005
where: short stacking energy: -469.864
Base-Backbone interact. energy: 4.169
local terms energy: -467.416475
where:
bonds (distance) C4'-P energy: -83.162
bonds (distance) P-C4' energy: -94.438
flat angles C4'-P-C4' energy: -98.043
flat angles P-C4'-P energy: -82.802
tors. eta vs tors. theta energy: -108.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1537.015926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.015926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.015926 (E_RNA)
where:
Base-Base interactions energy: -1083.092
where: short stacking energy: -471.853
Base-Backbone interact. energy: 0.595
local terms energy: -454.518408
where:
bonds (distance) C4'-P energy: -79.884
bonds (distance) P-C4' energy: -82.423
flat angles C4'-P-C4' energy: -106.557
flat angles P-C4'-P energy: -71.426
tors. eta vs tors. theta energy: -114.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1251.666585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.666585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.666585 (E_RNA)
where:
Base-Base interactions energy: -824.929
where: short stacking energy: -350.446
Base-Backbone interact. energy: -0.198
local terms energy: -426.539245
where:
bonds (distance) C4'-P energy: -100.957
bonds (distance) P-C4' energy: -101.739
flat angles C4'-P-C4' energy: -94.794
flat angles P-C4'-P energy: -54.667
tors. eta vs tors. theta energy: -74.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1207.063428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.063428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.063428 (E_RNA)
where:
Base-Base interactions energy: -800.259
where: short stacking energy: -351.212
Base-Backbone interact. energy: -1.296
local terms energy: -405.508415
where:
bonds (distance) C4'-P energy: -80.815
bonds (distance) P-C4' energy: -79.879
flat angles C4'-P-C4' energy: -98.369
flat angles P-C4'-P energy: -65.786
tors. eta vs tors. theta energy: -80.660
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: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -765.504543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.504543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.504543 (E_RNA)
where:
Base-Base interactions energy: -428.705
where: short stacking energy: -228.296
Base-Backbone interact. energy: 7.667
local terms energy: -344.465957
where:
bonds (distance) C4'-P energy: -99.729
bonds (distance) P-C4' energy: -102.520
flat angles C4'-P-C4' energy: -72.268
flat angles P-C4'-P energy: -55.143
tors. eta vs tors. theta energy: -14.806
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: 10, replica: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -549.570463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.570463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.570463 (E_RNA)
where:
Base-Base interactions energy: -271.197
where: short stacking energy: -156.707
Base-Backbone interact. energy: 3.438
local terms energy: -281.811470
where:
bonds (distance) C4'-P energy: -65.423
bonds (distance) P-C4' energy: -97.538
flat angles C4'-P-C4' energy: -81.181
flat angles P-C4'-P energy: -48.572
tors. eta vs tors. theta energy: 10.902
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: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1898.635787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.635787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.635787 (E_RNA)
where:
Base-Base interactions energy: -1338.499
where: short stacking energy: -558.917
Base-Backbone interact. energy: 3.783
local terms energy: -563.919613
where:
bonds (distance) C4'-P energy: -116.177
bonds (distance) P-C4' energy: -102.208
flat angles C4'-P-C4' energy: -110.138
flat angles P-C4'-P energy: -76.521
tors. eta vs tors. theta energy: -158.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1833.022951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.022951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.022951 (E_RNA)
where:
Base-Base interactions energy: -1310.248
where: short stacking energy: -545.163
Base-Backbone interact. energy: 1.361
local terms energy: -524.136230
where:
bonds (distance) C4'-P energy: -97.653
bonds (distance) P-C4' energy: -95.916
flat angles C4'-P-C4' energy: -110.386
flat angles P-C4'-P energy: -72.965
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: 363
Temperature: 1.000000
Total energy: -1756.000271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.000271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.000271 (E_RNA)
where:
Base-Base interactions energy: -1245.552
where: short stacking energy: -537.871
Base-Backbone interact. energy: -3.213
local terms energy: -507.235689
where:
bonds (distance) C4'-P energy: -93.355
bonds (distance) P-C4' energy: -83.768
flat angles C4'-P-C4' energy: -110.841
flat angles P-C4'-P energy: -67.513
tors. eta vs tors. theta energy: -151.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1658.520406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.520406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.520406 (E_RNA)
where:
Base-Base interactions energy: -1164.177
where: short stacking energy: -488.275
Base-Backbone interact. energy: -0.021
local terms energy: -494.322259
where:
bonds (distance) C4'-P energy: -78.954
bonds (distance) P-C4' energy: -94.201
flat angles C4'-P-C4' energy: -108.072
flat angles P-C4'-P energy: -79.402
tors. eta vs tors. theta energy: -133.693
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: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1516.959063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.959063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.959063 (E_RNA)
where:
Base-Base interactions energy: -1087.278
where: short stacking energy: -424.894
Base-Backbone interact. energy: 4.469
local terms energy: -434.149787
where:
bonds (distance) C4'-P energy: -84.722
bonds (distance) P-C4' energy: -80.880
flat angles C4'-P-C4' energy: -96.230
flat angles P-C4'-P energy: -69.808
tors. eta vs tors. theta energy: -102.511
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: 6, replica: 4
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1481.814960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.814960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.814960 (E_RNA)
where:
Base-Base interactions energy: -1026.473
where: short stacking energy: -420.189
Base-Backbone interact. energy: -0.615
local terms energy: -454.726336
where:
bonds (distance) C4'-P energy: -90.362
bonds (distance) P-C4' energy: -98.162
flat angles C4'-P-C4' energy: -110.182
flat angles P-C4'-P energy: -58.157
tors. eta vs tors. theta energy: -97.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1325.725747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.725747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.725747 (E_RNA)
where:
Base-Base interactions energy: -904.956
where: short stacking energy: -379.457
Base-Backbone interact. energy: 0.835
local terms energy: -421.605073
where:
bonds (distance) C4'-P energy: -97.160
bonds (distance) P-C4' energy: -80.237
flat angles C4'-P-C4' energy: -100.955
flat angles P-C4'-P energy: -59.019
tors. eta vs tors. theta energy: -84.233
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: 8, replica: 7
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1211.155079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.155079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.155079 (E_RNA)
where:
Base-Base interactions energy: -782.346
where: short stacking energy: -347.244
Base-Backbone interact. energy: -2.420
local terms energy: -426.388284
where:
bonds (distance) C4'-P energy: -78.006
bonds (distance) P-C4' energy: -94.209
flat angles C4'-P-C4' energy: -105.540
flat angles P-C4'-P energy: -63.103
tors. eta vs tors. theta energy: -85.530
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: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -700.700984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.700984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.700984 (E_RNA)
where:
Base-Base interactions energy: -374.831
where: short stacking energy: -204.581
Base-Backbone interact. energy: -0.827
local terms energy: -325.042801
where:
bonds (distance) C4'-P energy: -85.747
bonds (distance) P-C4' energy: -82.331
flat angles C4'-P-C4' energy: -85.147
flat angles P-C4'-P energy: -46.252
tors. eta vs tors. theta energy: -25.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -556.996224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.996224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.996224 (E_RNA)
where:
Base-Base interactions energy: -251.395
where: short stacking energy: -154.757
Base-Backbone interact. energy: -0.654
local terms energy: -304.947213
where:
bonds (distance) C4'-P energy: -71.811
bonds (distance) P-C4' energy: -93.410
flat angles C4'-P-C4' energy: -79.167
flat angles P-C4'-P energy: -46.890
tors. eta vs tors. theta energy: -13.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1885.693237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.693237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.693237 (E_RNA)
where:
Base-Base interactions energy: -1325.707
where: short stacking energy: -549.240
Base-Backbone interact. energy: -2.222
local terms energy: -557.764087
where:
bonds (distance) C4'-P energy: -95.348
bonds (distance) P-C4' energy: -99.740
flat angles C4'-P-C4' energy: -117.991
flat angles P-C4'-P energy: -88.991
tors. eta vs tors. theta energy: -155.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1856.560461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.560461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.560461 (E_RNA)
where:
Base-Base interactions energy: -1304.362
where: short stacking energy: -531.443
Base-Backbone interact. energy: -3.215
local terms energy: -548.983545
where:
bonds (distance) C4'-P energy: -105.968
bonds (distance) P-C4' energy: -103.314
flat angles C4'-P-C4' energy: -103.851
flat angles P-C4'-P energy: -76.732
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: 3, replica: 3
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1744.822728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.822728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.822728 (E_RNA)
where:
Base-Base interactions energy: -1203.045
where: short stacking energy: -498.248
Base-Backbone interact. energy: 2.054
local terms energy: -543.832377
where:
bonds (distance) C4'-P energy: -103.491
bonds (distance) P-C4' energy: -111.174
flat angles C4'-P-C4' energy: -119.702
flat angles P-C4'-P energy: -71.458
tors. eta vs tors. theta energy: -138.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1627.429524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.429524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.429524 (E_RNA)
where:
Base-Base interactions energy: -1121.345
where: short stacking energy: -499.879
Base-Backbone interact. energy: 2.548
local terms energy: -508.632371
where:
bonds (distance) C4'-P energy: -84.353
bonds (distance) P-C4' energy: -90.988
flat angles C4'-P-C4' energy: -111.491
flat angles P-C4'-P energy: -81.233
tors. eta vs tors. theta energy: -140.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1519.280536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.280536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.280536 (E_RNA)
where:
Base-Base interactions energy: -1058.992
where: short stacking energy: -448.877
Base-Backbone interact. energy: -1.022
local terms energy: -459.266674
where:
bonds (distance) C4'-P energy: -81.731
bonds (distance) P-C4' energy: -85.340
flat angles C4'-P-C4' energy: -107.654
flat angles P-C4'-P energy: -67.107
tors. eta vs tors. theta energy: -117.435
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: 4
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1464.526317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.526317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.526317 (E_RNA)
where:
Base-Base interactions energy: -1024.428
where: short stacking energy: -436.163
Base-Backbone interact. energy: 1.350
local terms energy: -441.447678
where:
bonds (distance) C4'-P energy: -82.112
bonds (distance) P-C4' energy: -87.701
flat angles C4'-P-C4' energy: -102.858
flat angles P-C4'-P energy: -65.960
tors. eta vs tors. theta energy: -102.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1316.503905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.503905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.503905 (E_RNA)
where:
Base-Base interactions energy: -878.437
where: short stacking energy: -387.776
Base-Backbone interact. energy: -0.154
local terms energy: -437.912984
where:
bonds (distance) C4'-P energy: -76.259
bonds (distance) P-C4' energy: -101.920
flat angles C4'-P-C4' energy: -95.331
flat angles P-C4'-P energy: -68.620
tors. eta vs tors. theta energy: -95.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1202.444117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.444117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.444117 (E_RNA)
where:
Base-Base interactions energy: -793.148
where: short stacking energy: -339.596
Base-Backbone interact. energy: -0.422
local terms energy: -408.873629
where:
bonds (distance) C4'-P energy: -84.196
bonds (distance) P-C4' energy: -85.795
flat angles C4'-P-C4' energy: -95.173
flat angles P-C4'-P energy: -57.452
tors. eta vs tors. theta energy: -86.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -741.350161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.350161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.350161 (E_RNA)
where:
Base-Base interactions energy: -399.127
where: short stacking energy: -224.713
Base-Backbone interact. energy: -1.326
local terms energy: -340.897943
where:
bonds (distance) C4'-P energy: -95.207
bonds (distance) P-C4' energy: -98.154
flat angles C4'-P-C4' energy: -71.435
flat angles P-C4'-P energy: -55.552
tors. eta vs tors. theta energy: -20.550
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: 364
Temperature: 1.350000
Total energy: -572.137305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.137305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.137305 (E_RNA)
where:
Base-Base interactions energy: -260.032
where: short stacking energy: -175.290
Base-Backbone interact. energy: -3.380
local terms energy: -308.725201
where:
bonds (distance) C4'-P energy: -95.955
bonds (distance) P-C4' energy: -85.665
flat angles C4'-P-C4' energy: -76.540
flat angles P-C4'-P energy: -45.146
tors. eta vs tors. theta energy: -5.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1907.512069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.512069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.512069 (E_RNA)
where:
Base-Base interactions energy: -1321.991
where: short stacking energy: -547.669
Base-Backbone interact. energy: -1.919
local terms energy: -583.601456
where:
bonds (distance) C4'-P energy: -106.379
bonds (distance) P-C4' energy: -106.784
flat angles C4'-P-C4' energy: -122.428
flat angles P-C4'-P energy: -84.406
tors. eta vs tors. theta energy: -163.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1860.388678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.388678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.388678 (E_RNA)
where:
Base-Base interactions energy: -1321.086
where: short stacking energy: -529.822
Base-Backbone interact. energy: -0.501
local terms energy: -538.801986
where:
bonds (distance) C4'-P energy: -97.505
bonds (distance) P-C4' energy: -90.843
flat angles C4'-P-C4' energy: -123.207
flat angles P-C4'-P energy: -80.111
tors. eta vs tors. theta energy: -147.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1755.493411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.493411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.493411 (E_RNA)
where:
Base-Base interactions energy: -1239.242
where: short stacking energy: -534.652
Base-Backbone interact. energy: -1.673
local terms energy: -514.577939
where:
bonds (distance) C4'-P energy: -85.204
bonds (distance) P-C4' energy: -99.171
flat angles C4'-P-C4' energy: -108.645
flat angles P-C4'-P energy: -78.253
tors. eta vs tors. theta energy: -143.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1633.038039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.038039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.038039 (E_RNA)
where:
Base-Base interactions energy: -1131.665
where: short stacking energy: -465.375
Base-Backbone interact. energy: -1.025
local terms energy: -500.348070
where:
bonds (distance) C4'-P energy: -95.680
bonds (distance) P-C4' energy: -86.907
flat angles C4'-P-C4' energy: -107.416
flat angles P-C4'-P energy: -69.509
tors. eta vs tors. theta energy: -140.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1540.354418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.354418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.354418 (E_RNA)
where:
Base-Base interactions energy: -1050.282
where: short stacking energy: -426.782
Base-Backbone interact. energy: -0.683
local terms energy: -489.389580
where:
bonds (distance) C4'-P energy: -95.274
bonds (distance) P-C4' energy: -94.556
flat angles C4'-P-C4' energy: -116.281
flat angles P-C4'-P energy: -67.755
tors. eta vs tors. theta energy: -115.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1475.019721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.019721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.019721 (E_RNA)
where:
Base-Base interactions energy: -1015.755
where: short stacking energy: -426.296
Base-Backbone interact. energy: -4.217
local terms energy: -455.047988
where:
bonds (distance) C4'-P energy: -79.850
bonds (distance) P-C4' energy: -88.644
flat angles C4'-P-C4' energy: -100.083
flat angles P-C4'-P energy: -71.691
tors. eta vs tors. theta energy: -114.780
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: 8
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1297.064571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.064571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.064571 (E_RNA)
where:
Base-Base interactions energy: -855.715
where: short stacking energy: -357.769
Base-Backbone interact. energy: 0.386
local terms energy: -441.734895
where:
bonds (distance) C4'-P energy: -96.611
bonds (distance) P-C4' energy: -85.441
flat angles C4'-P-C4' energy: -105.274
flat angles P-C4'-P energy: -64.054
tors. eta vs tors. theta energy: -90.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1217.808239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.808239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.808239 (E_RNA)
where:
Base-Base interactions energy: -791.989
where: short stacking energy: -352.983
Base-Backbone interact. energy: -2.362
local terms energy: -423.457491
where:
bonds (distance) C4'-P energy: -100.415
bonds (distance) P-C4' energy: -85.008
flat angles C4'-P-C4' energy: -93.278
flat angles P-C4'-P energy: -64.339
tors. eta vs tors. theta energy: -80.417
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: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -701.754952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.754952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.754952 (E_RNA)
where:
Base-Base interactions energy: -384.912
where: short stacking energy: -205.039
Base-Backbone interact. energy: -4.850
local terms energy: -311.993557
where:
bonds (distance) C4'-P energy: -84.982
bonds (distance) P-C4' energy: -102.231
flat angles C4'-P-C4' energy: -67.194
flat angles P-C4'-P energy: -45.815
tors. eta vs tors. theta energy: -11.772
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: 365
Temperature: 1.350000
Total energy: -574.551026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.551026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.551026 (E_RNA)
where:
Base-Base interactions energy: -290.209
where: short stacking energy: -193.078
Base-Backbone interact. energy: -0.879
local terms energy: -283.463180
where:
bonds (distance) C4'-P energy: -71.111
bonds (distance) P-C4' energy: -88.173
flat angles C4'-P-C4' energy: -72.487
flat angles P-C4'-P energy: -50.243
tors. eta vs tors. theta energy: -1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1875.738826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.738826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.738826 (E_RNA)
where:
Base-Base interactions energy: -1326.590
where: short stacking energy: -544.863
Base-Backbone interact. energy: -1.675
local terms energy: -547.473274
where:
bonds (distance) C4'-P energy: -107.262
bonds (distance) P-C4' energy: -90.489
flat angles C4'-P-C4' energy: -125.554
flat angles P-C4'-P energy: -71.743
tors. eta vs tors. theta energy: -152.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1865.034247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.034247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.034247 (E_RNA)
where:
Base-Base interactions energy: -1318.994
where: short stacking energy: -540.379
Base-Backbone interact. energy: -3.288
local terms energy: -542.751656
where:
bonds (distance) C4'-P energy: -81.740
bonds (distance) P-C4' energy: -108.105
flat angles C4'-P-C4' energy: -117.570
flat angles P-C4'-P energy: -81.254
tors. eta vs tors. theta energy: -154.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1730.157853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.157853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.157853 (E_RNA)
where:
Base-Base interactions energy: -1197.418
where: short stacking energy: -481.586
Base-Backbone interact. energy: -1.143
local terms energy: -531.596597
where:
bonds (distance) C4'-P energy: -88.129
bonds (distance) P-C4' energy: -109.015
flat angles C4'-P-C4' energy: -114.324
flat angles P-C4'-P energy: -91.083
tors. eta vs tors. theta energy: -129.046
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: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1675.181554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.181554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.181554 (E_RNA)
where:
Base-Base interactions energy: -1176.275
where: short stacking energy: -475.190
Base-Backbone interact. energy: 0.987
local terms energy: -499.893223
where:
bonds (distance) C4'-P energy: -99.818
bonds (distance) P-C4' energy: -94.939
flat angles C4'-P-C4' energy: -104.464
flat angles P-C4'-P energy: -65.405
tors. eta vs tors. theta energy: -135.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1564.202088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.202088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.202088 (E_RNA)
where:
Base-Base interactions energy: -1081.568
where: short stacking energy: -436.628
Base-Backbone interact. energy: -2.053
local terms energy: -480.581334
where:
bonds (distance) C4'-P energy: -101.033
bonds (distance) P-C4' energy: -91.218
flat angles C4'-P-C4' energy: -111.866
flat angles P-C4'-P energy: -70.270
tors. eta vs tors. theta energy: -106.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1471.201244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.201244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.201244 (E_RNA)
where:
Base-Base interactions energy: -1002.148
where: short stacking energy: -419.895
Base-Backbone interact. energy: -1.612
local terms energy: -467.441583
where:
bonds (distance) C4'-P energy: -87.017
bonds (distance) P-C4' energy: -107.357
flat angles C4'-P-C4' energy: -112.760
flat angles P-C4'-P energy: -54.157
tors. eta vs tors. theta energy: -106.149
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: 8
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1283.741088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.741088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.741088 (E_RNA)
where:
Base-Base interactions energy: -875.917
where: short stacking energy: -382.968
Base-Backbone interact. energy: -0.477
local terms energy: -407.347011
where:
bonds (distance) C4'-P energy: -78.057
bonds (distance) P-C4' energy: -88.997
flat angles C4'-P-C4' energy: -91.196
flat angles P-C4'-P energy: -63.741
tors. eta vs tors. theta energy: -85.356
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: 7
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1162.159609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.159609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.159609 (E_RNA)
where:
Base-Base interactions energy: -782.994
where: short stacking energy: -309.248
Base-Backbone interact. energy: -2.731
local terms energy: -376.434465
where:
bonds (distance) C4'-P energy: -86.556
bonds (distance) P-C4' energy: -88.662
flat angles C4'-P-C4' energy: -84.541
flat angles P-C4'-P energy: -56.212
tors. eta vs tors. theta energy: -60.464
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: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -693.749747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.749747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.749747 (E_RNA)
where:
Base-Base interactions energy: -380.311
where: short stacking energy: -210.483
Base-Backbone interact. energy: -1.079
local terms energy: -312.359522
where:
bonds (distance) C4'-P energy: -100.977
bonds (distance) P-C4' energy: -92.851
flat angles C4'-P-C4' energy: -63.128
flat angles P-C4'-P energy: -40.443
tors. eta vs tors. theta energy: -14.960
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: 366
Temperature: 1.350000
Total energy: -541.536217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.536217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.536217 (E_RNA)
where:
Base-Base interactions energy: -259.517
where: short stacking energy: -148.717
Base-Backbone interact. energy: -3.241
local terms energy: -278.778633
where:
bonds (distance) C4'-P energy: -75.022
bonds (distance) P-C4' energy: -85.116
flat angles C4'-P-C4' energy: -78.143
flat angles P-C4'-P energy: -38.277
tors. eta vs tors. theta energy: -2.221
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: 367
Temperature: 0.900000
Total energy: -1891.053857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.053857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.053857 (E_RNA)
where:
Base-Base interactions energy: -1345.246
where: short stacking energy: -520.836
Base-Backbone interact. energy: -1.784
local terms energy: -544.023685
where:
bonds (distance) C4'-P energy: -102.081
bonds (distance) P-C4' energy: -107.259
flat angles C4'-P-C4' energy: -115.971
flat angles P-C4'-P energy: -84.177
tors. eta vs tors. theta energy: -134.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1839.450144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.450144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.450144 (E_RNA)
where:
Base-Base interactions energy: -1294.905
where: short stacking energy: -554.266
Base-Backbone interact. energy: -3.753
local terms energy: -540.792012
where:
bonds (distance) C4'-P energy: -93.616
bonds (distance) P-C4' energy: -105.312
flat angles C4'-P-C4' energy: -118.947
flat angles P-C4'-P energy: -73.261
tors. eta vs tors. theta energy: -149.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1714.390584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.390584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.390584 (E_RNA)
where:
Base-Base interactions energy: -1184.976
where: short stacking energy: -489.471
Base-Backbone interact. energy: -1.932
local terms energy: -527.482178
where:
bonds (distance) C4'-P energy: -107.269
bonds (distance) P-C4' energy: -103.160
flat angles C4'-P-C4' energy: -106.702
flat angles P-C4'-P energy: -78.780
tors. eta vs tors. theta energy: -131.571
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: 4, replica: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1644.986834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.986834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.986834 (E_RNA)
where:
Base-Base interactions energy: -1124.742
where: short stacking energy: -466.011
Base-Backbone interact. energy: -1.792
local terms energy: -518.452851
where:
bonds (distance) C4'-P energy: -97.412
bonds (distance) P-C4' energy: -87.541
flat angles C4'-P-C4' energy: -120.210
flat angles P-C4'-P energy: -79.596
tors. eta vs tors. theta energy: -133.693
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: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1535.657114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.657114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.657114 (E_RNA)
where:
Base-Base interactions energy: -1061.201
where: short stacking energy: -431.149
Base-Backbone interact. energy: -1.993
local terms energy: -472.463042
where:
bonds (distance) C4'-P energy: -86.162
bonds (distance) P-C4' energy: -106.273
flat angles C4'-P-C4' energy: -98.653
flat angles P-C4'-P energy: -57.451
tors. eta vs tors. theta energy: -123.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1444.920586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.920586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.920586 (E_RNA)
where:
Base-Base interactions energy: -994.717
where: short stacking energy: -400.027
Base-Backbone interact. energy: 2.808
local terms energy: -453.011254
where:
bonds (distance) C4'-P energy: -114.639
bonds (distance) P-C4' energy: -93.382
flat angles C4'-P-C4' energy: -91.440
flat angles P-C4'-P energy: -54.979
tors. eta vs tors. theta energy: -98.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1279.900115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.900115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.900115 (E_RNA)
where:
Base-Base interactions energy: -848.275
where: short stacking energy: -364.014
Base-Backbone interact. energy: 0.317
local terms energy: -431.942010
where:
bonds (distance) C4'-P energy: -101.187
bonds (distance) P-C4' energy: -102.093
flat angles C4'-P-C4' energy: -97.334
flat angles P-C4'-P energy: -68.541
tors. eta vs tors. theta energy: -62.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1156.446377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.446377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.446377 (E_RNA)
where:
Base-Base interactions energy: -788.828
where: short stacking energy: -312.695
Base-Backbone interact. energy: 1.070
local terms energy: -368.688826
where:
bonds (distance) C4'-P energy: -87.910
bonds (distance) P-C4' energy: -82.775
flat angles C4'-P-C4' energy: -89.741
flat angles P-C4'-P energy: -43.611
tors. eta vs tors. theta energy: -64.653
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: 367
Temperature: 1.300000
Total energy: -734.710242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.710242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.710242 (E_RNA)
where:
Base-Base interactions energy: -384.079
where: short stacking energy: -216.892
Base-Backbone interact. energy: -0.505
local terms energy: -350.126500
where:
bonds (distance) C4'-P energy: -93.802
bonds (distance) P-C4' energy: -82.374
flat angles C4'-P-C4' energy: -84.753
flat angles P-C4'-P energy: -58.348
tors. eta vs tors. theta energy: -30.850
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: 367
Temperature: 1.350000
Total energy: -551.257667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.257667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.257667 (E_RNA)
where:
Base-Base interactions energy: -236.931
where: short stacking energy: -150.390
Base-Backbone interact. energy: -1.452
local terms energy: -312.874025
where:
bonds (distance) C4'-P energy: -90.858
bonds (distance) P-C4' energy: -91.469
flat angles C4'-P-C4' energy: -91.649
flat angles P-C4'-P energy: -42.836
tors. eta vs tors. theta energy: 3.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1885.184812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.184812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.184812 (E_RNA)
where:
Base-Base interactions energy: -1315.629
where: short stacking energy: -536.132
Base-Backbone interact. energy: -2.410
local terms energy: -567.145371
where:
bonds (distance) C4'-P energy: -99.037
bonds (distance) P-C4' energy: -116.126
flat angles C4'-P-C4' energy: -121.917
flat angles P-C4'-P energy: -83.680
tors. eta vs tors. theta energy: -146.386
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: 2, replica: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1832.490927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.490927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.490927 (E_RNA)
where:
Base-Base interactions energy: -1299.650
where: short stacking energy: -533.025
Base-Backbone interact. energy: -0.492
local terms energy: -532.348973
where:
bonds (distance) C4'-P energy: -86.637
bonds (distance) P-C4' energy: -98.910
flat angles C4'-P-C4' energy: -119.140
flat angles P-C4'-P energy: -81.377
tors. eta vs tors. theta energy: -146.285
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: 3
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1685.019422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.019422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.019422 (E_RNA)
where:
Base-Base interactions energy: -1185.402
where: short stacking energy: -489.142
Base-Backbone interact. energy: 2.296
local terms energy: -501.914209
where:
bonds (distance) C4'-P energy: -104.209
bonds (distance) P-C4' energy: -85.381
flat angles C4'-P-C4' energy: -119.595
flat angles P-C4'-P energy: -64.749
tors. eta vs tors. theta energy: -127.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1645.259380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.259380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.259380 (E_RNA)
where:
Base-Base interactions energy: -1150.493
where: short stacking energy: -492.474
Base-Backbone interact. energy: -0.321
local terms energy: -494.445623
where:
bonds (distance) C4'-P energy: -82.908
bonds (distance) P-C4' energy: -94.101
flat angles C4'-P-C4' energy: -104.160
flat angles P-C4'-P energy: -68.894
tors. eta vs tors. theta energy: -144.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1587.641214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.641214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.641214 (E_RNA)
where:
Base-Base interactions energy: -1101.819
where: short stacking energy: -463.180
Base-Backbone interact. energy: 1.064
local terms energy: -486.885926
where:
bonds (distance) C4'-P energy: -88.360
bonds (distance) P-C4' energy: -94.878
flat angles C4'-P-C4' energy: -105.512
flat angles P-C4'-P energy: -74.067
tors. eta vs tors. theta energy: -124.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1474.621868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.621868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.621868 (E_RNA)
where:
Base-Base interactions energy: -1025.276
where: short stacking energy: -415.136
Base-Backbone interact. energy: -0.372
local terms energy: -448.973625
where:
bonds (distance) C4'-P energy: -90.212
bonds (distance) P-C4' energy: -92.382
flat angles C4'-P-C4' energy: -102.690
flat angles P-C4'-P energy: -65.193
tors. eta vs tors. theta energy: -98.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1294.990115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.990115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.990115 (E_RNA)
where:
Base-Base interactions energy: -828.389
where: short stacking energy: -356.680
Base-Backbone interact. energy: -2.482
local terms energy: -464.119289
where:
bonds (distance) C4'-P energy: -99.762
bonds (distance) P-C4' energy: -105.394
flat angles C4'-P-C4' energy: -100.051
flat angles P-C4'-P energy: -65.622
tors. eta vs tors. theta energy: -93.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1242.938920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.938920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.938920 (E_RNA)
where:
Base-Base interactions energy: -846.360
where: short stacking energy: -363.209
Base-Backbone interact. energy: -1.796
local terms energy: -394.782407
where:
bonds (distance) C4'-P energy: -83.941
bonds (distance) P-C4' energy: -94.629
flat angles C4'-P-C4' energy: -87.194
flat angles P-C4'-P energy: -46.582
tors. eta vs tors. theta energy: -82.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -697.121328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.121328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.121328 (E_RNA)
where:
Base-Base interactions energy: -363.138
where: short stacking energy: -191.892
Base-Backbone interact. energy: 1.197
local terms energy: -335.179625
where:
bonds (distance) C4'-P energy: -90.333
bonds (distance) P-C4' energy: -100.259
flat angles C4'-P-C4' energy: -67.242
flat angles P-C4'-P energy: -44.892
tors. eta vs tors. theta energy: -32.454
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: 368
Temperature: 1.350000
Total energy: -507.161686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.161686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.161686 (E_RNA)
where:
Base-Base interactions energy: -237.582
where: short stacking energy: -134.750
Base-Backbone interact. energy: 0.930
local terms energy: -270.510293
where:
bonds (distance) C4'-P energy: -87.193
bonds (distance) P-C4' energy: -91.281
flat angles C4'-P-C4' energy: -66.348
flat angles P-C4'-P energy: -33.572
tors. eta vs tors. theta energy: 7.885
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: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1886.887659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.887659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.887659 (E_RNA)
where:
Base-Base interactions energy: -1345.059
where: short stacking energy: -527.544
Base-Backbone interact. energy: -4.820
local terms energy: -537.008416
where:
bonds (distance) C4'-P energy: -106.265
bonds (distance) P-C4' energy: -103.272
flat angles C4'-P-C4' energy: -111.409
flat angles P-C4'-P energy: -76.505
tors. eta vs tors. theta energy: -139.558
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: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1759.977686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.977686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.977686 (E_RNA)
where:
Base-Base interactions energy: -1224.247
where: short stacking energy: -502.352
Base-Backbone interact. energy: 0.038
local terms energy: -535.769357
where:
bonds (distance) C4'-P energy: -87.925
bonds (distance) P-C4' energy: -105.069
flat angles C4'-P-C4' energy: -121.010
flat angles P-C4'-P energy: -79.825
tors. eta vs tors. theta energy: -141.939
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: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1812.713736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.713736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.713736 (E_RNA)
where:
Base-Base interactions energy: -1286.637
where: short stacking energy: -541.614
Base-Backbone interact. energy: 4.925
local terms energy: -531.001987
where:
bonds (distance) C4'-P energy: -98.933
bonds (distance) P-C4' energy: -97.204
flat angles C4'-P-C4' energy: -115.605
flat angles P-C4'-P energy: -67.020
tors. eta vs tors. theta energy: -152.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1662.805697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.805697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.805697 (E_RNA)
where:
Base-Base interactions energy: -1119.942
where: short stacking energy: -491.353
Base-Backbone interact. energy: -1.120
local terms energy: -541.743867
where:
bonds (distance) C4'-P energy: -107.702
bonds (distance) P-C4' energy: -102.882
flat angles C4'-P-C4' energy: -110.990
flat angles P-C4'-P energy: -77.093
tors. eta vs tors. theta energy: -143.077
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: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1525.304562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.304562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.304562 (E_RNA)
where:
Base-Base interactions energy: -1049.926
where: short stacking energy: -438.867
Base-Backbone interact. energy: -2.379
local terms energy: -473.000401
where:
bonds (distance) C4'-P energy: -98.469
bonds (distance) P-C4' energy: -97.091
flat angles C4'-P-C4' energy: -101.706
flat angles P-C4'-P energy: -64.780
tors. eta vs tors. theta energy: -110.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1468.814042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.814042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.814042 (E_RNA)
where:
Base-Base interactions energy: -1031.209
where: short stacking energy: -427.133
Base-Backbone interact. energy: -4.202
local terms energy: -433.403404
where:
bonds (distance) C4'-P energy: -89.838
bonds (distance) P-C4' energy: -77.387
flat angles C4'-P-C4' energy: -100.850
flat angles P-C4'-P energy: -59.834
tors. eta vs tors. theta energy: -105.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1291.902664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.902664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.902664 (E_RNA)
where:
Base-Base interactions energy: -878.888
where: short stacking energy: -397.584
Base-Backbone interact. energy: -1.000
local terms energy: -412.014460
where:
bonds (distance) C4'-P energy: -76.755
bonds (distance) P-C4' energy: -82.618
flat angles C4'-P-C4' energy: -96.315
flat angles P-C4'-P energy: -66.040
tors. eta vs tors. theta energy: -90.287
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: 369
Temperature: 1.250000
Total energy: -1202.771693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.771693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.771693 (E_RNA)
where:
Base-Base interactions energy: -774.123
where: short stacking energy: -341.573
Base-Backbone interact. energy: 2.213
local terms energy: -430.861009
where:
bonds (distance) C4'-P energy: -80.610
bonds (distance) P-C4' energy: -87.441
flat angles C4'-P-C4' energy: -109.243
flat angles P-C4'-P energy: -67.253
tors. eta vs tors. theta energy: -86.313
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: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -706.454693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.454693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.454693 (E_RNA)
where:
Base-Base interactions energy: -380.342
where: short stacking energy: -205.491
Base-Backbone interact. energy: -0.039
local terms energy: -326.074356
where:
bonds (distance) C4'-P energy: -102.174
bonds (distance) P-C4' energy: -86.824
flat angles C4'-P-C4' energy: -74.744
flat angles P-C4'-P energy: -49.664
tors. eta vs tors. theta energy: -12.668
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: 369
Temperature: 1.350000
Total energy: -573.210831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.210831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.210831 (E_RNA)
where:
Base-Base interactions energy: -299.220
where: short stacking energy: -168.753
Base-Backbone interact. energy: -3.999
local terms energy: -269.991832
where:
bonds (distance) C4'-P energy: -69.115
bonds (distance) P-C4' energy: -88.322
flat angles C4'-P-C4' energy: -70.380
flat angles P-C4'-P energy: -52.688
tors. eta vs tors. theta energy: 10.513
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: 370
Temperature: 0.900000
Total energy: -1861.623381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.623381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.623381 (E_RNA)
where:
Base-Base interactions energy: -1311.551
where: short stacking energy: -544.565
Base-Backbone interact. energy: 1.173
local terms energy: -551.246120
where:
bonds (distance) C4'-P energy: -111.987
bonds (distance) P-C4' energy: -91.186
flat angles C4'-P-C4' energy: -117.197
flat angles P-C4'-P energy: -84.095
tors. eta vs tors. theta energy: -146.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1731.169338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.169338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.169338 (E_RNA)
where:
Base-Base interactions energy: -1193.284
where: short stacking energy: -518.429
Base-Backbone interact. energy: -2.942
local terms energy: -534.943131
where:
bonds (distance) C4'-P energy: -93.748
bonds (distance) P-C4' energy: -117.125
flat angles C4'-P-C4' energy: -115.790
flat angles P-C4'-P energy: -72.615
tors. eta vs tors. theta energy: -135.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1783.158618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.158618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.158618 (E_RNA)
where:
Base-Base interactions energy: -1261.445
where: short stacking energy: -513.488
Base-Backbone interact. energy: -0.840
local terms energy: -520.873205
where:
bonds (distance) C4'-P energy: -83.689
bonds (distance) P-C4' energy: -105.381
flat angles C4'-P-C4' energy: -114.339
flat angles P-C4'-P energy: -81.757
tors. eta vs tors. theta energy: -135.707
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: 6
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1659.515544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.515544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.515544 (E_RNA)
where:
Base-Base interactions energy: -1152.568
where: short stacking energy: -475.544
Base-Backbone interact. energy: -3.628
local terms energy: -503.320288
where:
bonds (distance) C4'-P energy: -79.988
bonds (distance) P-C4' energy: -101.943
flat angles C4'-P-C4' energy: -113.540
flat angles P-C4'-P energy: -66.126
tors. eta vs tors. theta energy: -141.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1488.749293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.749293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.749293 (E_RNA)
where:
Base-Base interactions energy: -1029.191
where: short stacking energy: -444.219
Base-Backbone interact. energy: -1.062
local terms energy: -458.496601
where:
bonds (distance) C4'-P energy: -86.637
bonds (distance) P-C4' energy: -92.377
flat angles C4'-P-C4' energy: -100.584
flat angles P-C4'-P energy: -65.302
tors. eta vs tors. theta energy: -113.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1514.074714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.074714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.074714 (E_RNA)
where:
Base-Base interactions energy: -1048.057
where: short stacking energy: -425.442
Base-Backbone interact. energy: -3.192
local terms energy: -462.825325
where:
bonds (distance) C4'-P energy: -104.157
bonds (distance) P-C4' energy: -94.064
flat angles C4'-P-C4' energy: -95.360
flat angles P-C4'-P energy: -59.917
tors. eta vs tors. theta energy: -109.328
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: 7, replica: 8
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1269.631804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.631804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.631804 (E_RNA)
where:
Base-Base interactions energy: -830.270
where: short stacking energy: -359.602
Base-Backbone interact. energy: 1.690
local terms energy: -441.052566
where:
bonds (distance) C4'-P energy: -74.233
bonds (distance) P-C4' energy: -101.142
flat angles C4'-P-C4' energy: -108.019
flat angles P-C4'-P energy: -68.493
tors. eta vs tors. theta energy: -89.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1167.336846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.336846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.336846 (E_RNA)
where:
Base-Base interactions energy: -758.858
where: short stacking energy: -355.388
Base-Backbone interact. energy: 5.368
local terms energy: -413.846876
where:
bonds (distance) C4'-P energy: -88.735
bonds (distance) P-C4' energy: -93.788
flat angles C4'-P-C4' energy: -99.714
flat angles P-C4'-P energy: -52.308
tors. eta vs tors. theta energy: -79.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -705.577866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.577866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.577866 (E_RNA)
where:
Base-Base interactions energy: -388.486
where: short stacking energy: -203.970
Base-Backbone interact. energy: -0.805
local terms energy: -316.287391
where:
bonds (distance) C4'-P energy: -92.676
bonds (distance) P-C4' energy: -90.388
flat angles C4'-P-C4' energy: -69.877
flat angles P-C4'-P energy: -46.086
tors. eta vs tors. theta energy: -17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -555.611033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.611033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.611033 (E_RNA)
where:
Base-Base interactions energy: -281.266
where: short stacking energy: -139.809
Base-Backbone interact. energy: -0.655
local terms energy: -273.690510
where:
bonds (distance) C4'-P energy: -74.710
bonds (distance) P-C4' energy: -80.946
flat angles C4'-P-C4' energy: -70.969
flat angles P-C4'-P energy: -50.483
tors. eta vs tors. theta energy: 3.418
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: 371
Temperature: 0.900000
Total energy: -1867.665650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.665650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.665650 (E_RNA)
where:
Base-Base interactions energy: -1329.290
where: short stacking energy: -540.279
Base-Backbone interact. energy: -2.298
local terms energy: -536.077746
where:
bonds (distance) C4'-P energy: -103.663
bonds (distance) P-C4' energy: -96.297
flat angles C4'-P-C4' energy: -105.704
flat angles P-C4'-P energy: -78.201
tors. eta vs tors. theta energy: -152.212
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: 371
Temperature: 0.950000
Total energy: -1818.273843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.273843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.273843 (E_RNA)
where:
Base-Base interactions energy: -1281.813
where: short stacking energy: -531.754
Base-Backbone interact. energy: -2.223
local terms energy: -534.237095
where:
bonds (distance) C4'-P energy: -94.082
bonds (distance) P-C4' energy: -105.411
flat angles C4'-P-C4' energy: -110.685
flat angles P-C4'-P energy: -82.822
tors. eta vs tors. theta energy: -141.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1726.151732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.151732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.151732 (E_RNA)
where:
Base-Base interactions energy: -1186.811
where: short stacking energy: -508.761
Base-Backbone interact. energy: -2.137
local terms energy: -537.203607
where:
bonds (distance) C4'-P energy: -100.152
bonds (distance) P-C4' energy: -104.924
flat angles C4'-P-C4' energy: -115.978
flat angles P-C4'-P energy: -85.705
tors. eta vs tors. theta energy: -130.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1669.506872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.506872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.506872 (E_RNA)
where:
Base-Base interactions energy: -1164.479
where: short stacking energy: -486.637
Base-Backbone interact. energy: -0.260
local terms energy: -504.768205
where:
bonds (distance) C4'-P energy: -78.413
bonds (distance) P-C4' energy: -91.405
flat angles C4'-P-C4' energy: -114.911
flat angles P-C4'-P energy: -85.949
tors. eta vs tors. theta energy: -134.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1533.800033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.800033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.800033 (E_RNA)
where:
Base-Base interactions energy: -1056.044
where: short stacking energy: -456.676
Base-Backbone interact. energy: 5.647
local terms energy: -483.403075
where:
bonds (distance) C4'-P energy: -85.609
bonds (distance) P-C4' energy: -104.118
flat angles C4'-P-C4' energy: -110.843
flat angles P-C4'-P energy: -52.894
tors. eta vs tors. theta energy: -129.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1541.378739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.378739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.378739 (E_RNA)
where:
Base-Base interactions energy: -1086.926
where: short stacking energy: -437.384
Base-Backbone interact. energy: -0.908
local terms energy: -453.544662
where:
bonds (distance) C4'-P energy: -83.022
bonds (distance) P-C4' energy: -73.127
flat angles C4'-P-C4' energy: -110.939
flat angles P-C4'-P energy: -73.330
tors. eta vs tors. theta energy: -113.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1283.441073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.441073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.441073 (E_RNA)
where:
Base-Base interactions energy: -845.157
where: short stacking energy: -387.735
Base-Backbone interact. energy: -1.239
local terms energy: -437.045028
where:
bonds (distance) C4'-P energy: -92.654
bonds (distance) P-C4' energy: -88.280
flat angles C4'-P-C4' energy: -107.349
flat angles P-C4'-P energy: -54.093
tors. eta vs tors. theta energy: -94.669
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: 7
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1198.692725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.692725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.692725 (E_RNA)
where:
Base-Base interactions energy: -800.509
where: short stacking energy: -345.813
Base-Backbone interact. energy: -1.907
local terms energy: -396.277142
where:
bonds (distance) C4'-P energy: -77.980
bonds (distance) P-C4' energy: -92.255
flat angles C4'-P-C4' energy: -93.496
flat angles P-C4'-P energy: -57.102
tors. eta vs tors. theta energy: -75.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -687.851490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.851490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.851490 (E_RNA)
where:
Base-Base interactions energy: -355.002
where: short stacking energy: -176.652
Base-Backbone interact. energy: -0.908
local terms energy: -331.941342
where:
bonds (distance) C4'-P energy: -100.924
bonds (distance) P-C4' energy: -79.732
flat angles C4'-P-C4' energy: -78.289
flat angles P-C4'-P energy: -65.288
tors. eta vs tors. theta energy: -7.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -562.919152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.919152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.919152 (E_RNA)
where:
Base-Base interactions energy: -268.512
where: short stacking energy: -142.417
Base-Backbone interact. energy: 1.667
local terms energy: -296.073879
where:
bonds (distance) C4'-P energy: -90.124
bonds (distance) P-C4' energy: -100.606
flat angles C4'-P-C4' energy: -77.696
flat angles P-C4'-P energy: -40.280
tors. eta vs tors. theta energy: 12.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1873.491453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.491453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.491453 (E_RNA)
where:
Base-Base interactions energy: -1312.323
where: short stacking energy: -521.330
Base-Backbone interact. energy: -3.446
local terms energy: -557.721982
where:
bonds (distance) C4'-P energy: -103.744
bonds (distance) P-C4' energy: -109.737
flat angles C4'-P-C4' energy: -122.916
flat angles P-C4'-P energy: -81.399
tors. eta vs tors. theta energy: -139.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1799.458018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.458018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.458018 (E_RNA)
where:
Base-Base interactions energy: -1259.250
where: short stacking energy: -530.833
Base-Backbone interact. energy: -1.846
local terms energy: -538.361281
where:
bonds (distance) C4'-P energy: -88.397
bonds (distance) P-C4' energy: -103.019
flat angles C4'-P-C4' energy: -118.828
flat angles P-C4'-P energy: -88.069
tors. eta vs tors. theta energy: -140.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1719.253794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.253794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.253794 (E_RNA)
where:
Base-Base interactions energy: -1188.816
where: short stacking energy: -516.922
Base-Backbone interact. energy: -0.135
local terms energy: -530.302253
where:
bonds (distance) C4'-P energy: -106.387
bonds (distance) P-C4' energy: -95.655
flat angles C4'-P-C4' energy: -109.739
flat angles P-C4'-P energy: -68.388
tors. eta vs tors. theta energy: -150.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1626.589480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.589480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.589480 (E_RNA)
where:
Base-Base interactions energy: -1103.561
where: short stacking energy: -489.405
Base-Backbone interact. energy: 2.414
local terms energy: -525.442674
where:
bonds (distance) C4'-P energy: -89.380
bonds (distance) P-C4' energy: -104.461
flat angles C4'-P-C4' energy: -110.872
flat angles P-C4'-P energy: -77.475
tors. eta vs tors. theta energy: -143.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1565.723196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.723196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.723196 (E_RNA)
where:
Base-Base interactions energy: -1060.413
where: short stacking energy: -458.564
Base-Backbone interact. energy: -3.061
local terms energy: -502.248554
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -97.444
flat angles C4'-P-C4' energy: -110.658
flat angles P-C4'-P energy: -79.123
tors. eta vs tors. theta energy: -120.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1470.291854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.291854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.291854 (E_RNA)
where:
Base-Base interactions energy: -1003.130
where: short stacking energy: -421.380
Base-Backbone interact. energy: 3.033
local terms energy: -470.194611
where:
bonds (distance) C4'-P energy: -86.142
bonds (distance) P-C4' energy: -91.496
flat angles C4'-P-C4' energy: -111.859
flat angles P-C4'-P energy: -67.878
tors. eta vs tors. theta energy: -112.820
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: 372
Temperature: 1.200000
Total energy: -1240.660287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.660287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.660287 (E_RNA)
where:
Base-Base interactions energy: -824.374
where: short stacking energy: -362.159
Base-Backbone interact. energy: 2.261
local terms energy: -418.546785
where:
bonds (distance) C4'-P energy: -101.635
bonds (distance) P-C4' energy: -80.371
flat angles C4'-P-C4' energy: -90.932
flat angles P-C4'-P energy: -58.245
tors. eta vs tors. theta energy: -87.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1236.223633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.223633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.223633 (E_RNA)
where:
Base-Base interactions energy: -806.691
where: short stacking energy: -343.589
Base-Backbone interact. energy: -2.848
local terms energy: -426.684273
where:
bonds (distance) C4'-P energy: -80.759
bonds (distance) P-C4' energy: -98.188
flat angles C4'-P-C4' energy: -110.219
flat angles P-C4'-P energy: -49.871
tors. eta vs tors. theta energy: -87.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -725.777212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.777212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.777212 (E_RNA)
where:
Base-Base interactions energy: -418.967
where: short stacking energy: -185.760
Base-Backbone interact. energy: -1.016
local terms energy: -305.793337
where:
bonds (distance) C4'-P energy: -100.951
bonds (distance) P-C4' energy: -81.712
flat angles C4'-P-C4' energy: -69.256
flat angles P-C4'-P energy: -44.921
tors. eta vs tors. theta energy: -8.953
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: 372
Temperature: 1.350000
Total energy: -555.776215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.776215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.776215 (E_RNA)
where:
Base-Base interactions energy: -274.098
where: short stacking energy: -157.478
Base-Backbone interact. energy: 2.875
local terms energy: -284.553109
where:
bonds (distance) C4'-P energy: -88.710
bonds (distance) P-C4' energy: -91.081
flat angles C4'-P-C4' energy: -62.902
flat angles P-C4'-P energy: -47.938
tors. eta vs tors. theta energy: 6.077
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: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1856.891570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.891570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.891570 (E_RNA)
where:
Base-Base interactions energy: -1306.846
where: short stacking energy: -525.194
Base-Backbone interact. energy: -3.557
local terms energy: -546.488879
where:
bonds (distance) C4'-P energy: -111.081
bonds (distance) P-C4' energy: -108.670
flat angles C4'-P-C4' energy: -114.432
flat angles P-C4'-P energy: -64.862
tors. eta vs tors. theta energy: -147.444
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: 373
Temperature: 0.950000
Total energy: -1763.380203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.380203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.380203 (E_RNA)
where:
Base-Base interactions energy: -1249.331
where: short stacking energy: -516.826
Base-Backbone interact. energy: 2.623
local terms energy: -516.671782
where:
bonds (distance) C4'-P energy: -84.288
bonds (distance) P-C4' energy: -100.228
flat angles C4'-P-C4' energy: -107.264
flat angles P-C4'-P energy: -77.958
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: 3, replica: 3
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1751.103786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.103786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.103786 (E_RNA)
where:
Base-Base interactions energy: -1219.744
where: short stacking energy: -511.084
Base-Backbone interact. energy: -0.625
local terms energy: -530.734897
where:
bonds (distance) C4'-P energy: -100.667
bonds (distance) P-C4' energy: -98.219
flat angles C4'-P-C4' energy: -117.585
flat angles P-C4'-P energy: -78.202
tors. eta vs tors. theta energy: -136.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1651.792795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.792795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.792795 (E_RNA)
where:
Base-Base interactions energy: -1137.564
where: short stacking energy: -483.803
Base-Backbone interact. energy: -1.687
local terms energy: -512.541551
where:
bonds (distance) C4'-P energy: -94.824
bonds (distance) P-C4' energy: -90.933
flat angles C4'-P-C4' energy: -114.084
flat angles P-C4'-P energy: -71.929
tors. eta vs tors. theta energy: -140.771
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: 373
Temperature: 1.100000
Total energy: -1566.107081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.107081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.107081 (E_RNA)
where:
Base-Base interactions energy: -1100.853
where: short stacking energy: -451.169
Base-Backbone interact. energy: -0.158
local terms energy: -465.096355
where:
bonds (distance) C4'-P energy: -83.340
bonds (distance) P-C4' energy: -92.788
flat angles C4'-P-C4' energy: -105.114
flat angles P-C4'-P energy: -64.642
tors. eta vs tors. theta energy: -119.213
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: 5
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1481.029668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.029668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.029668 (E_RNA)
where:
Base-Base interactions energy: -1026.894
where: short stacking energy: -442.922
Base-Backbone interact. energy: 0.498
local terms energy: -454.633981
where:
bonds (distance) C4'-P energy: -88.585
bonds (distance) P-C4' energy: -84.078
flat angles C4'-P-C4' energy: -107.929
flat angles P-C4'-P energy: -70.223
tors. eta vs tors. theta energy: -103.819
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: 373
Temperature: 1.200000
Total energy: -1271.857267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.857267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.857267 (E_RNA)
where:
Base-Base interactions energy: -849.151
where: short stacking energy: -368.047
Base-Backbone interact. energy: -1.359
local terms energy: -421.346911
where:
bonds (distance) C4'-P energy: -87.945
bonds (distance) P-C4' energy: -92.431
flat angles C4'-P-C4' energy: -95.109
flat angles P-C4'-P energy: -57.470
tors. eta vs tors. theta energy: -88.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1242.168933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.168933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.168933 (E_RNA)
where:
Base-Base interactions energy: -832.381
where: short stacking energy: -382.826
Base-Backbone interact. energy: -4.218
local terms energy: -405.570127
where:
bonds (distance) C4'-P energy: -93.342
bonds (distance) P-C4' energy: -79.059
flat angles C4'-P-C4' energy: -95.744
flat angles P-C4'-P energy: -54.617
tors. eta vs tors. theta energy: -82.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -771.297166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.297166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.297166 (E_RNA)
where:
Base-Base interactions energy: -452.717
where: short stacking energy: -245.833
Base-Backbone interact. energy: -2.484
local terms energy: -316.095961
where:
bonds (distance) C4'-P energy: -74.299
bonds (distance) P-C4' energy: -76.999
flat angles C4'-P-C4' energy: -91.876
flat angles P-C4'-P energy: -52.623
tors. eta vs tors. theta energy: -20.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -576.084666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.084666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.084666 (E_RNA)
where:
Base-Base interactions energy: -296.743
where: short stacking energy: -159.746
Base-Backbone interact. energy: -0.389
local terms energy: -278.952237
where:
bonds (distance) C4'-P energy: -76.603
bonds (distance) P-C4' energy: -87.510
flat angles C4'-P-C4' energy: -92.067
flat angles P-C4'-P energy: -25.414
tors. eta vs tors. theta energy: 2.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1877.067937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.067937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.067937 (E_RNA)
where:
Base-Base interactions energy: -1304.004
where: short stacking energy: -537.917
Base-Backbone interact. energy: -2.594
local terms energy: -570.469269
where:
bonds (distance) C4'-P energy: -97.225
bonds (distance) P-C4' energy: -113.419
flat angles C4'-P-C4' energy: -126.791
flat angles P-C4'-P energy: -78.228
tors. eta vs tors. theta energy: -154.807
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: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1786.471513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.471513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.471513 (E_RNA)
where:
Base-Base interactions energy: -1258.984
where: short stacking energy: -477.532
Base-Backbone interact. energy: -0.035
local terms energy: -527.452961
where:
bonds (distance) C4'-P energy: -95.668
bonds (distance) P-C4' energy: -96.165
flat angles C4'-P-C4' energy: -118.173
flat angles P-C4'-P energy: -74.112
tors. eta vs tors. theta energy: -143.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1709.209024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.209024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.209024 (E_RNA)
where:
Base-Base interactions energy: -1169.465
where: short stacking energy: -496.752
Base-Backbone interact. energy: 0.146
local terms energy: -539.889828
where:
bonds (distance) C4'-P energy: -105.262
bonds (distance) P-C4' energy: -93.505
flat angles C4'-P-C4' energy: -106.594
flat angles P-C4'-P energy: -81.098
tors. eta vs tors. theta energy: -153.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1663.633028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.633028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.633028 (E_RNA)
where:
Base-Base interactions energy: -1138.277
where: short stacking energy: -509.623
Base-Backbone interact. energy: -0.871
local terms energy: -524.484704
where:
bonds (distance) C4'-P energy: -102.369
bonds (distance) P-C4' energy: -103.460
flat angles C4'-P-C4' energy: -110.564
flat angles P-C4'-P energy: -65.682
tors. eta vs tors. theta energy: -142.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1538.300819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.300819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.300819 (E_RNA)
where:
Base-Base interactions energy: -1060.676
where: short stacking energy: -432.482
Base-Backbone interact. energy: -0.311
local terms energy: -477.313896
where:
bonds (distance) C4'-P energy: -79.767
bonds (distance) P-C4' energy: -97.714
flat angles C4'-P-C4' energy: -117.979
flat angles P-C4'-P energy: -71.070
tors. eta vs tors. theta energy: -110.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1503.626588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.626588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.626588 (E_RNA)
where:
Base-Base interactions energy: -1033.885
where: short stacking energy: -410.958
Base-Backbone interact. energy: 2.024
local terms energy: -471.765545
where:
bonds (distance) C4'-P energy: -87.116
bonds (distance) P-C4' energy: -95.771
flat angles C4'-P-C4' energy: -99.995
flat angles P-C4'-P energy: -74.000
tors. eta vs tors. theta energy: -114.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1276.838437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.838437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.838437 (E_RNA)
where:
Base-Base interactions energy: -834.542
where: short stacking energy: -363.845
Base-Backbone interact. energy: -1.823
local terms energy: -440.473532
where:
bonds (distance) C4'-P energy: -95.077
bonds (distance) P-C4' energy: -91.591
flat angles C4'-P-C4' energy: -99.980
flat angles P-C4'-P energy: -59.531
tors. eta vs tors. theta energy: -94.295
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: 7
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1263.132849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.132849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.132849 (E_RNA)
where:
Base-Base interactions energy: -844.040
where: short stacking energy: -385.703
Base-Backbone interact. energy: -1.840
local terms energy: -417.252628
where:
bonds (distance) C4'-P energy: -82.379
bonds (distance) P-C4' energy: -85.374
flat angles C4'-P-C4' energy: -98.984
flat angles P-C4'-P energy: -59.874
tors. eta vs tors. theta energy: -90.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -740.977034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.977034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.977034 (E_RNA)
where:
Base-Base interactions energy: -426.303
where: short stacking energy: -242.150
Base-Backbone interact. energy: -0.921
local terms energy: -313.753721
where:
bonds (distance) C4'-P energy: -66.273
bonds (distance) P-C4' energy: -97.322
flat angles C4'-P-C4' energy: -74.770
flat angles P-C4'-P energy: -45.460
tors. eta vs tors. theta energy: -29.929
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: 374
Temperature: 1.350000
Total energy: -556.778873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.778873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.778873 (E_RNA)
where:
Base-Base interactions energy: -287.966
where: short stacking energy: -150.754
Base-Backbone interact. energy: 1.200
local terms energy: -270.012775
where:
bonds (distance) C4'-P energy: -72.917
bonds (distance) P-C4' energy: -90.922
flat angles C4'-P-C4' energy: -49.446
flat angles P-C4'-P energy: -53.105
tors. eta vs tors. theta energy: -3.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1916.054493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.054493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.054493 (E_RNA)
where:
Base-Base interactions energy: -1346.344
where: short stacking energy: -537.936
Base-Backbone interact. energy: -2.244
local terms energy: -567.466233
where:
bonds (distance) C4'-P energy: -108.407
bonds (distance) P-C4' energy: -105.142
flat angles C4'-P-C4' energy: -119.166
flat angles P-C4'-P energy: -80.572
tors. eta vs tors. theta energy: -154.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1793.247154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.247154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.247154 (E_RNA)
where:
Base-Base interactions energy: -1249.269
where: short stacking energy: -525.778
Base-Backbone interact. energy: -1.970
local terms energy: -542.008966
where:
bonds (distance) C4'-P energy: -100.304
bonds (distance) P-C4' energy: -94.756
flat angles C4'-P-C4' energy: -113.589
flat angles P-C4'-P energy: -94.985
tors. eta vs tors. theta energy: -138.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1723.705602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.705602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.705602 (E_RNA)
where:
Base-Base interactions energy: -1179.185
where: short stacking energy: -509.483
Base-Backbone interact. energy: -1.391
local terms energy: -543.130254
where:
bonds (distance) C4'-P energy: -97.838
bonds (distance) P-C4' energy: -96.416
flat angles C4'-P-C4' energy: -116.601
flat angles P-C4'-P energy: -82.397
tors. eta vs tors. theta energy: -149.878
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: 375
Temperature: 1.050000
Total energy: -1683.671502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.671502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.671502 (E_RNA)
where:
Base-Base interactions energy: -1185.387
where: short stacking energy: -519.055
Base-Backbone interact. energy: -4.453
local terms energy: -493.831700
where:
bonds (distance) C4'-P energy: -101.521
bonds (distance) P-C4' energy: -77.032
flat angles C4'-P-C4' energy: -109.343
flat angles P-C4'-P energy: -75.302
tors. eta vs tors. theta energy: -130.634
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: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1526.530637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.530637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.530637 (E_RNA)
where:
Base-Base interactions energy: -1079.634
where: short stacking energy: -451.703
Base-Backbone interact. energy: 6.785
local terms energy: -453.681369
where:
bonds (distance) C4'-P energy: -79.695
bonds (distance) P-C4' energy: -102.296
flat angles C4'-P-C4' energy: -98.207
flat angles P-C4'-P energy: -58.113
tors. eta vs tors. theta energy: -115.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1498.573432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.573432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.573432 (E_RNA)
where:
Base-Base interactions energy: -1035.787
where: short stacking energy: -441.132
Base-Backbone interact. energy: 0.477
local terms energy: -463.263188
where:
bonds (distance) C4'-P energy: -85.751
bonds (distance) P-C4' energy: -75.680
flat angles C4'-P-C4' energy: -106.806
flat angles P-C4'-P energy: -68.719
tors. eta vs tors. theta energy: -126.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1266.924480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.924480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.924480 (E_RNA)
where:
Base-Base interactions energy: -850.727
where: short stacking energy: -362.422
Base-Backbone interact. energy: 0.860
local terms energy: -417.057810
where:
bonds (distance) C4'-P energy: -77.245
bonds (distance) P-C4' energy: -98.358
flat angles C4'-P-C4' energy: -96.953
flat angles P-C4'-P energy: -64.360
tors. eta vs tors. theta energy: -80.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1163.010293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.010293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.010293 (E_RNA)
where:
Base-Base interactions energy: -771.672
where: short stacking energy: -339.736
Base-Backbone interact. energy: -2.070
local terms energy: -389.267688
where:
bonds (distance) C4'-P energy: -95.798
bonds (distance) P-C4' energy: -88.043
flat angles C4'-P-C4' energy: -87.771
flat angles P-C4'-P energy: -45.787
tors. eta vs tors. theta energy: -71.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -720.752351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.752351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.752351 (E_RNA)
where:
Base-Base interactions energy: -396.116
where: short stacking energy: -207.797
Base-Backbone interact. energy: -0.575
local terms energy: -324.061171
where:
bonds (distance) C4'-P energy: -82.268
bonds (distance) P-C4' energy: -78.449
flat angles C4'-P-C4' energy: -88.914
flat angles P-C4'-P energy: -44.460
tors. eta vs tors. theta energy: -29.970
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: 375
Temperature: 1.350000
Total energy: -537.328657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.328657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.328657 (E_RNA)
where:
Base-Base interactions energy: -267.897
where: short stacking energy: -166.931
Base-Backbone interact. energy: -2.064
local terms energy: -267.367217
where:
bonds (distance) C4'-P energy: -82.007
bonds (distance) P-C4' energy: -89.107
flat angles C4'-P-C4' energy: -83.949
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: 12.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1886.603183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.603183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.603183 (E_RNA)
where:
Base-Base interactions energy: -1324.885
where: short stacking energy: -533.610
Base-Backbone interact. energy: -1.305
local terms energy: -560.413942
where:
bonds (distance) C4'-P energy: -101.967
bonds (distance) P-C4' energy: -110.510
flat angles C4'-P-C4' energy: -117.753
flat angles P-C4'-P energy: -78.012
tors. eta vs tors. theta energy: -152.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1783.875017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.875017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.875017 (E_RNA)
where:
Base-Base interactions energy: -1233.701
where: short stacking energy: -494.230
Base-Backbone interact. energy: -2.078
local terms energy: -548.096552
where:
bonds (distance) C4'-P energy: -101.130
bonds (distance) P-C4' energy: -113.385
flat angles C4'-P-C4' energy: -117.071
flat angles P-C4'-P energy: -76.308
tors. eta vs tors. theta energy: -140.202
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: 3, replica: 6
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1699.900812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.900812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.900812 (E_RNA)
where:
Base-Base interactions energy: -1147.447
where: short stacking energy: -477.405
Base-Backbone interact. energy: -3.422
local terms energy: -549.031961
where:
bonds (distance) C4'-P energy: -99.167
bonds (distance) P-C4' energy: -101.119
flat angles C4'-P-C4' energy: -116.137
flat angles P-C4'-P energy: -85.431
tors. eta vs tors. theta energy: -147.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1632.478671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.478671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.478671 (E_RNA)
where:
Base-Base interactions energy: -1137.296
where: short stacking energy: -469.835
Base-Backbone interact. energy: -1.933
local terms energy: -493.250150
where:
bonds (distance) C4'-P energy: -82.590
bonds (distance) P-C4' energy: -103.270
flat angles C4'-P-C4' energy: -106.055
flat angles P-C4'-P energy: -78.511
tors. eta vs tors. theta energy: -122.823
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: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1548.100699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.100699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.100699 (E_RNA)
where:
Base-Base interactions energy: -1067.550
where: short stacking energy: -456.026
Base-Backbone interact. energy: -0.649
local terms energy: -479.901925
where:
bonds (distance) C4'-P energy: -88.561
bonds (distance) P-C4' energy: -105.479
flat angles C4'-P-C4' energy: -102.169
flat angles P-C4'-P energy: -73.428
tors. eta vs tors. theta energy: -110.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1501.978112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.978112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.978112 (E_RNA)
where:
Base-Base interactions energy: -1034.629
where: short stacking energy: -447.879
Base-Backbone interact. energy: -3.536
local terms energy: -463.813222
where:
bonds (distance) C4'-P energy: -93.019
bonds (distance) P-C4' energy: -90.536
flat angles C4'-P-C4' energy: -97.729
flat angles P-C4'-P energy: -61.229
tors. eta vs tors. theta energy: -121.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1256.807837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.807837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.807837 (E_RNA)
where:
Base-Base interactions energy: -848.213
where: short stacking energy: -359.616
Base-Backbone interact. energy: -2.657
local terms energy: -405.938129
where:
bonds (distance) C4'-P energy: -81.489
bonds (distance) P-C4' energy: -81.041
flat angles C4'-P-C4' energy: -113.269
flat angles P-C4'-P energy: -55.681
tors. eta vs tors. theta energy: -74.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1138.268591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.268591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.268591 (E_RNA)
where:
Base-Base interactions energy: -744.252
where: short stacking energy: -309.520
Base-Backbone interact. energy: -1.769
local terms energy: -392.247003
where:
bonds (distance) C4'-P energy: -80.966
bonds (distance) P-C4' energy: -92.793
flat angles C4'-P-C4' energy: -91.403
flat angles P-C4'-P energy: -60.976
tors. eta vs tors. theta energy: -66.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -733.242168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.242168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.242168 (E_RNA)
where:
Base-Base interactions energy: -388.784
where: short stacking energy: -191.318
Base-Backbone interact. energy: -2.509
local terms energy: -341.949087
where:
bonds (distance) C4'-P energy: -97.965
bonds (distance) P-C4' energy: -91.739
flat angles C4'-P-C4' energy: -91.214
flat angles P-C4'-P energy: -53.592
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -487.850909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.850909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.850909 (E_RNA)
where:
Base-Base interactions energy: -222.812
where: short stacking energy: -131.540
Base-Backbone interact. energy: 1.522
local terms energy: -266.560841
where:
bonds (distance) C4'-P energy: -65.735
bonds (distance) P-C4' energy: -94.471
flat angles C4'-P-C4' energy: -81.105
flat angles P-C4'-P energy: -45.872
tors. eta vs tors. theta energy: 20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1866.617458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.617458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.617458 (E_RNA)
where:
Base-Base interactions energy: -1313.165
where: short stacking energy: -547.693
Base-Backbone interact. energy: -4.202
local terms energy: -549.250591
where:
bonds (distance) C4'-P energy: -97.665
bonds (distance) P-C4' energy: -100.407
flat angles C4'-P-C4' energy: -124.823
flat angles P-C4'-P energy: -83.599
tors. eta vs tors. theta energy: -142.756
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: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1785.700785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.700785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.700785 (E_RNA)
where:
Base-Base interactions energy: -1261.199
where: short stacking energy: -505.716
Base-Backbone interact. energy: -2.562
local terms energy: -521.939778
where:
bonds (distance) C4'-P energy: -88.116
bonds (distance) P-C4' energy: -99.954
flat angles C4'-P-C4' energy: -110.804
flat angles P-C4'-P energy: -79.003
tors. eta vs tors. theta energy: -144.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1705.935515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.935515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.935515 (E_RNA)
where:
Base-Base interactions energy: -1158.709
where: short stacking energy: -510.738
Base-Backbone interact. energy: 0.073
local terms energy: -547.299296
where:
bonds (distance) C4'-P energy: -99.221
bonds (distance) P-C4' energy: -107.826
flat angles C4'-P-C4' energy: -116.785
flat angles P-C4'-P energy: -78.285
tors. eta vs tors. theta energy: -145.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1676.169139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.169139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.169139 (E_RNA)
where:
Base-Base interactions energy: -1159.306
where: short stacking energy: -504.615
Base-Backbone interact. energy: 3.952
local terms energy: -520.815187
where:
bonds (distance) C4'-P energy: -92.755
bonds (distance) P-C4' energy: -100.374
flat angles C4'-P-C4' energy: -116.319
flat angles P-C4'-P energy: -71.470
tors. eta vs tors. theta energy: -139.897
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: 377
Temperature: 1.100000
Total energy: -1566.704949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.704949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.704949 (E_RNA)
where:
Base-Base interactions energy: -1084.767
where: short stacking energy: -434.287
Base-Backbone interact. energy: -4.639
local terms energy: -477.298162
where:
bonds (distance) C4'-P energy: -89.654
bonds (distance) P-C4' energy: -87.474
flat angles C4'-P-C4' energy: -115.181
flat angles P-C4'-P energy: -73.321
tors. eta vs tors. theta energy: -111.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1472.214910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.214910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.214910 (E_RNA)
where:
Base-Base interactions energy: -1001.016
where: short stacking energy: -430.270
Base-Backbone interact. energy: -0.971
local terms energy: -470.227476
where:
bonds (distance) C4'-P energy: -98.886
bonds (distance) P-C4' energy: -87.027
flat angles C4'-P-C4' energy: -100.426
flat angles P-C4'-P energy: -68.245
tors. eta vs tors. theta energy: -115.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1303.278793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.278793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.278793 (E_RNA)
where:
Base-Base interactions energy: -890.183
where: short stacking energy: -396.006
Base-Backbone interact. energy: 1.267
local terms energy: -414.363277
where:
bonds (distance) C4'-P energy: -86.665
bonds (distance) P-C4' energy: -89.546
flat angles C4'-P-C4' energy: -98.189
flat angles P-C4'-P energy: -55.594
tors. eta vs tors. theta energy: -84.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1156.683102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.683102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.683102 (E_RNA)
where:
Base-Base interactions energy: -759.295
where: short stacking energy: -331.514
Base-Backbone interact. energy: -1.104
local terms energy: -396.283810
where:
bonds (distance) C4'-P energy: -90.414
bonds (distance) P-C4' energy: -85.829
flat angles C4'-P-C4' energy: -102.394
flat angles P-C4'-P energy: -45.191
tors. eta vs tors. theta energy: -72.455
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: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -737.233686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.233686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.233686 (E_RNA)
where:
Base-Base interactions energy: -431.883
where: short stacking energy: -248.032
Base-Backbone interact. energy: -2.729
local terms energy: -302.622414
where:
bonds (distance) C4'-P energy: -89.585
bonds (distance) P-C4' energy: -68.166
flat angles C4'-P-C4' energy: -85.775
flat angles P-C4'-P energy: -39.038
tors. eta vs tors. theta energy: -20.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -517.740849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.740849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.740849 (E_RNA)
where:
Base-Base interactions energy: -223.835
where: short stacking energy: -153.996
Base-Backbone interact. energy: 0.244
local terms energy: -294.149674
where:
bonds (distance) C4'-P energy: -86.749
bonds (distance) P-C4' energy: -85.351
flat angles C4'-P-C4' energy: -66.121
flat angles P-C4'-P energy: -56.865
tors. eta vs tors. theta energy: 0.936
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: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1868.612239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.612239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.612239 (E_RNA)
where:
Base-Base interactions energy: -1306.987
where: short stacking energy: -528.127
Base-Backbone interact. energy: -6.329
local terms energy: -555.296342
where:
bonds (distance) C4'-P energy: -103.574
bonds (distance) P-C4' energy: -90.931
flat angles C4'-P-C4' energy: -126.274
flat angles P-C4'-P energy: -87.024
tors. eta vs tors. theta energy: -147.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1766.494134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.494134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.494134 (E_RNA)
where:
Base-Base interactions energy: -1230.890
where: short stacking energy: -519.438
Base-Backbone interact. energy: -3.175
local terms energy: -532.429139
where:
bonds (distance) C4'-P energy: -92.464
bonds (distance) P-C4' energy: -97.544
flat angles C4'-P-C4' energy: -118.778
flat angles P-C4'-P energy: -80.280
tors. eta vs tors. theta energy: -143.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1739.685133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.685133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.685133 (E_RNA)
where:
Base-Base interactions energy: -1212.264
where: short stacking energy: -495.474
Base-Backbone interact. energy: -1.256
local terms energy: -526.165127
where:
bonds (distance) C4'-P energy: -94.375
bonds (distance) P-C4' energy: -105.280
flat angles C4'-P-C4' energy: -108.418
flat angles P-C4'-P energy: -72.509
tors. eta vs tors. theta energy: -145.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1659.445024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.445024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.445024 (E_RNA)
where:
Base-Base interactions energy: -1134.536
where: short stacking energy: -506.577
Base-Backbone interact. energy: 0.898
local terms energy: -525.806934
where:
bonds (distance) C4'-P energy: -102.150
bonds (distance) P-C4' energy: -107.769
flat angles C4'-P-C4' energy: -116.315
flat angles P-C4'-P energy: -61.671
tors. eta vs tors. theta energy: -137.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1543.191596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.191596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.191596 (E_RNA)
where:
Base-Base interactions energy: -1069.519
where: short stacking energy: -445.546
Base-Backbone interact. energy: -1.413
local terms energy: -472.258959
where:
bonds (distance) C4'-P energy: -96.201
bonds (distance) P-C4' energy: -89.172
flat angles C4'-P-C4' energy: -105.966
flat angles P-C4'-P energy: -67.526
tors. eta vs tors. theta energy: -113.394
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: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1509.997260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.997260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.997260 (E_RNA)
where:
Base-Base interactions energy: -1054.353
where: short stacking energy: -405.697
Base-Backbone interact. energy: 1.423
local terms energy: -457.067335
where:
bonds (distance) C4'-P energy: -69.960
bonds (distance) P-C4' energy: -106.468
flat angles C4'-P-C4' energy: -107.019
flat angles P-C4'-P energy: -65.705
tors. eta vs tors. theta energy: -107.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1273.677818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.677818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.677818 (E_RNA)
where:
Base-Base interactions energy: -847.334
where: short stacking energy: -375.538
Base-Backbone interact. energy: -1.497
local terms energy: -424.847190
where:
bonds (distance) C4'-P energy: -92.998
bonds (distance) P-C4' energy: -85.594
flat angles C4'-P-C4' energy: -105.109
flat angles P-C4'-P energy: -51.806
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: 7
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1150.466190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.466190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.466190 (E_RNA)
where:
Base-Base interactions energy: -769.972
where: short stacking energy: -322.294
Base-Backbone interact. energy: -3.103
local terms energy: -377.390538
where:
bonds (distance) C4'-P energy: -81.942
bonds (distance) P-C4' energy: -93.050
flat angles C4'-P-C4' energy: -85.238
flat angles P-C4'-P energy: -54.973
tors. eta vs tors. theta energy: -62.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -768.727749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.727749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.727749 (E_RNA)
where:
Base-Base interactions energy: -449.151
where: short stacking energy: -220.946
Base-Backbone interact. energy: -1.435
local terms energy: -318.142060
where:
bonds (distance) C4'-P energy: -79.897
bonds (distance) P-C4' energy: -82.141
flat angles C4'-P-C4' energy: -82.615
flat angles P-C4'-P energy: -51.133
tors. eta vs tors. theta energy: -22.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -508.865546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.865546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.865546 (E_RNA)
where:
Base-Base interactions energy: -203.172
where: short stacking energy: -131.705
Base-Backbone interact. energy: 4.064
local terms energy: -309.757466
where:
bonds (distance) C4'-P energy: -90.465
bonds (distance) P-C4' energy: -94.602
flat angles C4'-P-C4' energy: -84.320
flat angles P-C4'-P energy: -54.594
tors. eta vs tors. theta energy: 14.224
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: 379
Temperature: 0.900000
Total energy: -1909.096080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.096080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.096080 (E_RNA)
where:
Base-Base interactions energy: -1339.582
where: short stacking energy: -538.874
Base-Backbone interact. energy: 2.974
local terms energy: -572.487562
where:
bonds (distance) C4'-P energy: -105.016
bonds (distance) P-C4' energy: -107.569
flat angles C4'-P-C4' energy: -124.236
flat angles P-C4'-P energy: -81.448
tors. eta vs tors. theta energy: -154.219
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: 379
Temperature: 0.950000
Total energy: -1756.868659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.868659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.868659 (E_RNA)
where:
Base-Base interactions energy: -1234.292
where: short stacking energy: -494.115
Base-Backbone interact. energy: -1.923
local terms energy: -520.653733
where:
bonds (distance) C4'-P energy: -111.117
bonds (distance) P-C4' energy: -92.589
flat angles C4'-P-C4' energy: -121.422
flat angles P-C4'-P energy: -64.878
tors. eta vs tors. theta energy: -130.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1727.434262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.434262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.434262 (E_RNA)
where:
Base-Base interactions energy: -1205.924
where: short stacking energy: -515.908
Base-Backbone interact. energy: -0.132
local terms energy: -521.378792
where:
bonds (distance) C4'-P energy: -101.990
bonds (distance) P-C4' energy: -87.757
flat angles C4'-P-C4' energy: -107.805
flat angles P-C4'-P energy: -83.005
tors. eta vs tors. theta energy: -140.821
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: 6
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1607.963961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.963961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.963961 (E_RNA)
where:
Base-Base interactions energy: -1134.196
where: short stacking energy: -456.342
Base-Backbone interact. energy: -1.725
local terms energy: -472.043645
where:
bonds (distance) C4'-P energy: -85.828
bonds (distance) P-C4' energy: -88.918
flat angles C4'-P-C4' energy: -106.228
flat angles P-C4'-P energy: -60.982
tors. eta vs tors. theta energy: -130.088
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: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1546.691005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.691005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.691005 (E_RNA)
where:
Base-Base interactions energy: -1053.398
where: short stacking energy: -445.207
Base-Backbone interact. energy: -2.165
local terms energy: -491.127903
where:
bonds (distance) C4'-P energy: -89.386
bonds (distance) P-C4' energy: -99.207
flat angles C4'-P-C4' energy: -110.629
flat angles P-C4'-P energy: -77.109
tors. eta vs tors. theta energy: -114.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1479.068809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.068809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.068809 (E_RNA)
where:
Base-Base interactions energy: -995.146
where: short stacking energy: -411.780
Base-Backbone interact. energy: -3.911
local terms energy: -480.012623
where:
bonds (distance) C4'-P energy: -90.332
bonds (distance) P-C4' energy: -98.538
flat angles C4'-P-C4' energy: -118.753
flat angles P-C4'-P energy: -68.042
tors. eta vs tors. theta energy: -104.348
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: 7, replica: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1322.203493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.203493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.203493 (E_RNA)
where:
Base-Base interactions energy: -902.582
where: short stacking energy: -400.233
Base-Backbone interact. energy: -0.346
local terms energy: -419.276226
where:
bonds (distance) C4'-P energy: -82.385
bonds (distance) P-C4' energy: -73.659
flat angles C4'-P-C4' energy: -104.059
flat angles P-C4'-P energy: -59.011
tors. eta vs tors. theta energy: -100.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1154.658091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.658091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.658091 (E_RNA)
where:
Base-Base interactions energy: -790.279
where: short stacking energy: -333.579
Base-Backbone interact. energy: 0.993
local terms energy: -365.372318
where:
bonds (distance) C4'-P energy: -91.519
bonds (distance) P-C4' energy: -67.341
flat angles C4'-P-C4' energy: -88.995
flat angles P-C4'-P energy: -42.875
tors. eta vs tors. theta energy: -74.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -794.604765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.604765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.604765 (E_RNA)
where:
Base-Base interactions energy: -455.424
where: short stacking energy: -254.277
Base-Backbone interact. energy: 0.416
local terms energy: -339.596778
where:
bonds (distance) C4'-P energy: -87.167
bonds (distance) P-C4' energy: -74.766
flat angles C4'-P-C4' energy: -82.279
flat angles P-C4'-P energy: -52.700
tors. eta vs tors. theta energy: -42.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -505.408026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.408026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.408026 (E_RNA)
where:
Base-Base interactions energy: -255.757
where: short stacking energy: -175.537
Base-Backbone interact. energy: 0.408
local terms energy: -250.059043
where:
bonds (distance) C4'-P energy: -92.780
bonds (distance) P-C4' energy: -56.203
flat angles C4'-P-C4' energy: -65.436
flat angles P-C4'-P energy: -38.753
tors. eta vs tors. theta energy: 3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1914.184166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.184166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.184166 (E_RNA)
where:
Base-Base interactions energy: -1357.094
where: short stacking energy: -546.564
Base-Backbone interact. energy: -0.502
local terms energy: -556.589117
where:
bonds (distance) C4'-P energy: -92.283
bonds (distance) P-C4' energy: -105.443
flat angles C4'-P-C4' energy: -120.072
flat angles P-C4'-P energy: -87.170
tors. eta vs tors. theta energy: -151.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1769.814131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.814131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.814131 (E_RNA)
where:
Base-Base interactions energy: -1237.767
where: short stacking energy: -517.062
Base-Backbone interact. energy: 0.280
local terms energy: -532.326891
where:
bonds (distance) C4'-P energy: -113.862
bonds (distance) P-C4' energy: -103.237
flat angles C4'-P-C4' energy: -106.876
flat angles P-C4'-P energy: -76.560
tors. eta vs tors. theta energy: -131.792
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: 3
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1733.623787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.623787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.623787 (E_RNA)
where:
Base-Base interactions energy: -1220.019
where: short stacking energy: -511.067
Base-Backbone interact. energy: 0.534
local terms energy: -514.139464
where:
bonds (distance) C4'-P energy: -92.379
bonds (distance) P-C4' energy: -84.891
flat angles C4'-P-C4' energy: -119.458
flat angles P-C4'-P energy: -73.579
tors. eta vs tors. theta energy: -143.832
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: 4, replica: 6
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1639.703431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.703431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.703431 (E_RNA)
where:
Base-Base interactions energy: -1111.841
where: short stacking energy: -471.165
Base-Backbone interact. energy: -2.102
local terms energy: -525.761132
where:
bonds (distance) C4'-P energy: -103.088
bonds (distance) P-C4' energy: -116.840
flat angles C4'-P-C4' energy: -114.597
flat angles P-C4'-P energy: -65.272
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: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1535.918965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.918965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.918965 (E_RNA)
where:
Base-Base interactions energy: -1062.741
where: short stacking energy: -441.387
Base-Backbone interact. energy: 0.357
local terms energy: -473.534483
where:
bonds (distance) C4'-P energy: -81.790
bonds (distance) P-C4' energy: -97.046
flat angles C4'-P-C4' energy: -100.440
flat angles P-C4'-P energy: -72.829
tors. eta vs tors. theta energy: -121.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1458.746375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.746375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.746375 (E_RNA)
where:
Base-Base interactions energy: -1011.242
where: short stacking energy: -408.056
Base-Backbone interact. energy: -4.189
local terms energy: -443.314852
where:
bonds (distance) C4'-P energy: -84.527
bonds (distance) P-C4' energy: -92.115
flat angles C4'-P-C4' energy: -97.604
flat angles P-C4'-P energy: -69.799
tors. eta vs tors. theta energy: -99.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1258.425158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.425158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.425158 (E_RNA)
where:
Base-Base interactions energy: -839.800
where: short stacking energy: -385.746
Base-Backbone interact. energy: 6.087
local terms energy: -424.712402
where:
bonds (distance) C4'-P energy: -78.471
bonds (distance) P-C4' energy: -96.483
flat angles C4'-P-C4' energy: -99.656
flat angles P-C4'-P energy: -58.137
tors. eta vs tors. theta energy: -91.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1141.023309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.023309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.023309 (E_RNA)
where:
Base-Base interactions energy: -735.983
where: short stacking energy: -322.449
Base-Backbone interact. energy: -3.020
local terms energy: -402.019601
where:
bonds (distance) C4'-P energy: -86.024
bonds (distance) P-C4' energy: -91.246
flat angles C4'-P-C4' energy: -89.314
flat angles P-C4'-P energy: -66.897
tors. eta vs tors. theta energy: -68.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -769.664177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.664177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.664177 (E_RNA)
where:
Base-Base interactions energy: -427.451
where: short stacking energy: -200.880
Base-Backbone interact. energy: -2.909
local terms energy: -339.304088
where:
bonds (distance) C4'-P energy: -82.995
bonds (distance) P-C4' energy: -99.390
flat angles C4'-P-C4' energy: -80.271
flat angles P-C4'-P energy: -51.974
tors. eta vs tors. theta energy: -24.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -517.987978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.987978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.987978 (E_RNA)
where:
Base-Base interactions energy: -224.197
where: short stacking energy: -151.258
Base-Backbone interact. energy: -0.097
local terms energy: -293.693977
where:
bonds (distance) C4'-P energy: -97.603
bonds (distance) P-C4' energy: -75.508
flat angles C4'-P-C4' energy: -80.797
flat angles P-C4'-P energy: -46.471
tors. eta vs tors. theta energy: 6.685
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: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1901.539640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.539640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.539640 (E_RNA)
where:
Base-Base interactions energy: -1355.581
where: short stacking energy: -541.387
Base-Backbone interact. energy: -0.842
local terms energy: -545.116828
where:
bonds (distance) C4'-P energy: -103.118
bonds (distance) P-C4' energy: -92.159
flat angles C4'-P-C4' energy: -112.333
flat angles P-C4'-P energy: -78.454
tors. eta vs tors. theta energy: -159.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1800.910589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.910589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.910589 (E_RNA)
where:
Base-Base interactions energy: -1246.109
where: short stacking energy: -521.483
Base-Backbone interact. energy: -2.709
local terms energy: -552.092130
where:
bonds (distance) C4'-P energy: -93.361
bonds (distance) P-C4' energy: -105.200
flat angles C4'-P-C4' energy: -124.035
flat angles P-C4'-P energy: -75.451
tors. eta vs tors. theta energy: -154.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1745.706215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.706215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.706215 (E_RNA)
where:
Base-Base interactions energy: -1218.592
where: short stacking energy: -471.729
Base-Backbone interact. energy: -1.281
local terms energy: -525.833046
where:
bonds (distance) C4'-P energy: -98.510
bonds (distance) P-C4' energy: -101.551
flat angles C4'-P-C4' energy: -116.630
flat angles P-C4'-P energy: -79.081
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: 6
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1637.376693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.376693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.376693 (E_RNA)
where:
Base-Base interactions energy: -1126.023
where: short stacking energy: -475.790
Base-Backbone interact. energy: -2.209
local terms energy: -509.144806
where:
bonds (distance) C4'-P energy: -96.872
bonds (distance) P-C4' energy: -99.490
flat angles C4'-P-C4' energy: -106.173
flat angles P-C4'-P energy: -71.496
tors. eta vs tors. theta energy: -135.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1590.373786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.373786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.373786 (E_RNA)
where:
Base-Base interactions energy: -1098.728
where: short stacking energy: -444.764
Base-Backbone interact. energy: 0.396
local terms energy: -492.041231
where:
bonds (distance) C4'-P energy: -89.167
bonds (distance) P-C4' energy: -92.238
flat angles C4'-P-C4' energy: -111.871
flat angles P-C4'-P energy: -65.451
tors. eta vs tors. theta energy: -133.314
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: 6, replica: 5
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1464.717799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.717799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.717799 (E_RNA)
where:
Base-Base interactions energy: -999.823
where: short stacking energy: -419.423
Base-Backbone interact. energy: -3.620
local terms energy: -461.274425
where:
bonds (distance) C4'-P energy: -97.155
bonds (distance) P-C4' energy: -96.974
flat angles C4'-P-C4' energy: -106.065
flat angles P-C4'-P energy: -56.601
tors. eta vs tors. theta energy: -104.479
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: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1319.197327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.197327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.197327 (E_RNA)
where:
Base-Base interactions energy: -919.645
where: short stacking energy: -388.973
Base-Backbone interact. energy: -2.433
local terms energy: -397.119656
where:
bonds (distance) C4'-P energy: -64.013
bonds (distance) P-C4' energy: -93.913
flat angles C4'-P-C4' energy: -92.262
flat angles P-C4'-P energy: -50.413
tors. eta vs tors. theta energy: -96.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1174.962125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.962125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.962125 (E_RNA)
where:
Base-Base interactions energy: -798.043
where: short stacking energy: -331.568
Base-Backbone interact. energy: 0.396
local terms energy: -377.315944
where:
bonds (distance) C4'-P energy: -80.205
bonds (distance) P-C4' energy: -91.255
flat angles C4'-P-C4' energy: -85.389
flat angles P-C4'-P energy: -52.646
tors. eta vs tors. theta energy: -67.822
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: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -778.220294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.220294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.220294 (E_RNA)
where:
Base-Base interactions energy: -443.874
where: short stacking energy: -236.911
Base-Backbone interact. energy: 3.949
local terms energy: -338.295605
where:
bonds (distance) C4'-P energy: -90.507
bonds (distance) P-C4' energy: -94.134
flat angles C4'-P-C4' energy: -73.711
flat angles P-C4'-P energy: -60.094
tors. eta vs tors. theta energy: -19.850
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: 381
Temperature: 1.350000
Total energy: -530.433619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.433619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.433619 (E_RNA)
where:
Base-Base interactions energy: -270.690
where: short stacking energy: -139.829
Base-Backbone interact. energy: -1.771
local terms energy: -257.972131
where:
bonds (distance) C4'-P energy: -72.475
bonds (distance) P-C4' energy: -87.848
flat angles C4'-P-C4' energy: -62.352
flat angles P-C4'-P energy: -50.429
tors. eta vs tors. theta energy: 15.132
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: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1887.602525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.602525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.602525 (E_RNA)
where:
Base-Base interactions energy: -1332.067
where: short stacking energy: -545.530
Base-Backbone interact. energy: -0.082
local terms energy: -555.453698
where:
bonds (distance) C4'-P energy: -102.935
bonds (distance) P-C4' energy: -102.157
flat angles C4'-P-C4' energy: -117.058
flat angles P-C4'-P energy: -81.296
tors. eta vs tors. theta energy: -152.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1791.383104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.383104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.383104 (E_RNA)
where:
Base-Base interactions energy: -1251.557
where: short stacking energy: -530.556
Base-Backbone interact. energy: -3.284
local terms energy: -536.541762
where:
bonds (distance) C4'-P energy: -87.574
bonds (distance) P-C4' energy: -93.382
flat angles C4'-P-C4' energy: -113.885
flat angles P-C4'-P energy: -92.457
tors. eta vs tors. theta energy: -149.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1730.477050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.477050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.477050 (E_RNA)
where:
Base-Base interactions energy: -1219.480
where: short stacking energy: -497.372
Base-Backbone interact. energy: -3.609
local terms energy: -507.388782
where:
bonds (distance) C4'-P energy: -100.147
bonds (distance) P-C4' energy: -107.071
flat angles C4'-P-C4' energy: -99.431
flat angles P-C4'-P energy: -66.383
tors. eta vs tors. theta energy: -134.357
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: 6
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1613.724641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.724641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.724641 (E_RNA)
where:
Base-Base interactions energy: -1112.887
where: short stacking energy: -481.937
Base-Backbone interact. energy: -0.676
local terms energy: -500.161813
where:
bonds (distance) C4'-P energy: -91.063
bonds (distance) P-C4' energy: -112.518
flat angles C4'-P-C4' energy: -94.170
flat angles P-C4'-P energy: -68.196
tors. eta vs tors. theta energy: -134.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1513.676134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.676134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.676134 (E_RNA)
where:
Base-Base interactions energy: -1049.084
where: short stacking energy: -425.445
Base-Backbone interact. energy: -3.095
local terms energy: -461.498060
where:
bonds (distance) C4'-P energy: -89.394
bonds (distance) P-C4' energy: -88.294
flat angles C4'-P-C4' energy: -96.504
flat angles P-C4'-P energy: -68.115
tors. eta vs tors. theta energy: -119.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1467.973641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.973641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.973641 (E_RNA)
where:
Base-Base interactions energy: -1027.950
where: short stacking energy: -418.105
Base-Backbone interact. energy: 1.448
local terms energy: -441.472363
where:
bonds (distance) C4'-P energy: -67.441
bonds (distance) P-C4' energy: -90.934
flat angles C4'-P-C4' energy: -107.822
flat angles P-C4'-P energy: -62.484
tors. eta vs tors. theta energy: -112.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1376.490303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.490303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.490303 (E_RNA)
where:
Base-Base interactions energy: -938.794
where: short stacking energy: -414.970
Base-Backbone interact. energy: -2.248
local terms energy: -435.448185
where:
bonds (distance) C4'-P energy: -94.769
bonds (distance) P-C4' energy: -91.376
flat angles C4'-P-C4' energy: -95.543
flat angles P-C4'-P energy: -49.860
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: 8, replica: 7
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1133.378214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.378214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.378214 (E_RNA)
where:
Base-Base interactions energy: -753.627
where: short stacking energy: -321.819
Base-Backbone interact. energy: -0.527
local terms energy: -379.224257
where:
bonds (distance) C4'-P energy: -91.745
bonds (distance) P-C4' energy: -88.800
flat angles C4'-P-C4' energy: -89.540
flat angles P-C4'-P energy: -47.671
tors. eta vs tors. theta energy: -61.468
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: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -763.014976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.014976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.014976 (E_RNA)
where:
Base-Base interactions energy: -441.899
where: short stacking energy: -234.183
Base-Backbone interact. energy: 2.021
local terms energy: -323.136610
where:
bonds (distance) C4'-P energy: -73.088
bonds (distance) P-C4' energy: -88.652
flat angles C4'-P-C4' energy: -83.700
flat angles P-C4'-P energy: -53.362
tors. eta vs tors. theta energy: -24.335
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: 382
Temperature: 1.350000
Total energy: -585.236610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.236610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.236610 (E_RNA)
where:
Base-Base interactions energy: -318.106
where: short stacking energy: -199.339
Base-Backbone interact. energy: 0.051
local terms energy: -267.182256
where:
bonds (distance) C4'-P energy: -86.311
bonds (distance) P-C4' energy: -68.928
flat angles C4'-P-C4' energy: -72.319
flat angles P-C4'-P energy: -25.383
tors. eta vs tors. theta energy: -14.241
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: 383
Temperature: 0.900000
Total energy: -1870.341099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.341099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.341099 (E_RNA)
where:
Base-Base interactions energy: -1310.597
where: short stacking energy: -549.800
Base-Backbone interact. energy: -2.239
local terms energy: -557.504713
where:
bonds (distance) C4'-P energy: -100.984
bonds (distance) P-C4' energy: -108.142
flat angles C4'-P-C4' energy: -122.935
flat angles P-C4'-P energy: -73.269
tors. eta vs tors. theta energy: -152.176
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: 3
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1788.133053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.133053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.133053 (E_RNA)
where:
Base-Base interactions energy: -1244.971
where: short stacking energy: -548.588
Base-Backbone interact. energy: -1.119
local terms energy: -542.043641
where:
bonds (distance) C4'-P energy: -96.556
bonds (distance) P-C4' energy: -103.953
flat angles C4'-P-C4' energy: -106.789
flat angles P-C4'-P energy: -86.776
tors. eta vs tors. theta energy: -147.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1739.354439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.354439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.354439 (E_RNA)
where:
Base-Base interactions energy: -1195.945
where: short stacking energy: -486.989
Base-Backbone interact. energy: -1.066
local terms energy: -542.342927
where:
bonds (distance) C4'-P energy: -93.428
bonds (distance) P-C4' energy: -110.492
flat angles C4'-P-C4' energy: -127.174
flat angles P-C4'-P energy: -73.842
tors. eta vs tors. theta energy: -137.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1572.574462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.574462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.574462 (E_RNA)
where:
Base-Base interactions energy: -1080.127
where: short stacking energy: -448.239
Base-Backbone interact. energy: -1.227
local terms energy: -491.221220
where:
bonds (distance) C4'-P energy: -92.595
bonds (distance) P-C4' energy: -105.393
flat angles C4'-P-C4' energy: -111.435
flat angles P-C4'-P energy: -69.075
tors. eta vs tors. theta energy: -112.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1556.838284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.838284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.838284 (E_RNA)
where:
Base-Base interactions energy: -1064.878
where: short stacking energy: -446.931
Base-Backbone interact. energy: 1.315
local terms energy: -493.274872
where:
bonds (distance) C4'-P energy: -93.341
bonds (distance) P-C4' energy: -100.588
flat angles C4'-P-C4' energy: -102.313
flat angles P-C4'-P energy: -74.020
tors. eta vs tors. theta energy: -123.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1465.374450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.374450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.374450 (E_RNA)
where:
Base-Base interactions energy: -1051.700
where: short stacking energy: -417.096
Base-Backbone interact. energy: 5.930
local terms energy: -419.604695
where:
bonds (distance) C4'-P energy: -93.510
bonds (distance) P-C4' energy: -86.187
flat angles C4'-P-C4' energy: -100.257
flat angles P-C4'-P energy: -46.056
tors. eta vs tors. theta energy: -93.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1369.492760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.492760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.492760 (E_RNA)
where:
Base-Base interactions energy: -930.631
where: short stacking energy: -399.075
Base-Backbone interact. energy: -0.676
local terms energy: -438.186027
where:
bonds (distance) C4'-P energy: -88.023
bonds (distance) P-C4' energy: -93.203
flat angles C4'-P-C4' energy: -96.285
flat angles P-C4'-P energy: -61.693
tors. eta vs tors. theta energy: -98.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1123.252631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.252631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.252631 (E_RNA)
where:
Base-Base interactions energy: -756.293
where: short stacking energy: -325.352
Base-Backbone interact. energy: 4.300
local terms energy: -371.260225
where:
bonds (distance) C4'-P energy: -79.407
bonds (distance) P-C4' energy: -75.435
flat angles C4'-P-C4' energy: -90.939
flat angles P-C4'-P energy: -66.390
tors. eta vs tors. theta energy: -59.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -742.162312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.162312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.162312 (E_RNA)
where:
Base-Base interactions energy: -424.226
where: short stacking energy: -213.792
Base-Backbone interact. energy: 3.480
local terms energy: -321.416708
where:
bonds (distance) C4'-P energy: -94.107
bonds (distance) P-C4' energy: -99.196
flat angles C4'-P-C4' energy: -63.224
flat angles P-C4'-P energy: -52.342
tors. eta vs tors. theta energy: -12.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -596.651747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.651747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.651747 (E_RNA)
where:
Base-Base interactions energy: -284.649
where: short stacking energy: -168.388
Base-Backbone interact. energy: 1.253
local terms energy: -313.255681
where:
bonds (distance) C4'-P energy: -95.967
bonds (distance) P-C4' energy: -89.681
flat angles C4'-P-C4' energy: -75.191
flat angles P-C4'-P energy: -48.150
tors. eta vs tors. theta energy: -4.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1886.751034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.751034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.751034 (E_RNA)
where:
Base-Base interactions energy: -1327.750
where: short stacking energy: -537.673
Base-Backbone interact. energy: 0.669
local terms energy: -559.670163
where:
bonds (distance) C4'-P energy: -89.408
bonds (distance) P-C4' energy: -109.687
flat angles C4'-P-C4' energy: -118.983
flat angles P-C4'-P energy: -86.862
tors. eta vs tors. theta energy: -154.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1794.464433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.464433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.464433 (E_RNA)
where:
Base-Base interactions energy: -1242.610
where: short stacking energy: -529.069
Base-Backbone interact. energy: -1.152
local terms energy: -550.702136
where:
bonds (distance) C4'-P energy: -104.149
bonds (distance) P-C4' energy: -102.082
flat angles C4'-P-C4' energy: -113.803
flat angles P-C4'-P energy: -85.712
tors. eta vs tors. theta energy: -144.956
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: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1714.092258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.092258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.092258 (E_RNA)
where:
Base-Base interactions energy: -1201.474
where: short stacking energy: -482.621
Base-Backbone interact. energy: 0.239
local terms energy: -512.856980
where:
bonds (distance) C4'-P energy: -86.177
bonds (distance) P-C4' energy: -97.394
flat angles C4'-P-C4' energy: -117.128
flat angles P-C4'-P energy: -76.949
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: 4, replica: 5
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1591.784564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.784564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.784564 (E_RNA)
where:
Base-Base interactions energy: -1089.344
where: short stacking energy: -456.937
Base-Backbone interact. energy: -0.400
local terms energy: -502.039681
where:
bonds (distance) C4'-P energy: -93.357
bonds (distance) P-C4' energy: -98.515
flat angles C4'-P-C4' energy: -115.064
flat angles P-C4'-P energy: -80.064
tors. eta vs tors. theta energy: -115.041
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: 6
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1583.857730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.857730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.857730 (E_RNA)
where:
Base-Base interactions energy: -1100.393
where: short stacking energy: -460.090
Base-Backbone interact. energy: -0.652
local terms energy: -482.812651
where:
bonds (distance) C4'-P energy: -77.089
bonds (distance) P-C4' energy: -87.081
flat angles C4'-P-C4' energy: -102.904
flat angles P-C4'-P energy: -85.815
tors. eta vs tors. theta energy: -129.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1398.673183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.673183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.673183 (E_RNA)
where:
Base-Base interactions energy: -970.426
where: short stacking energy: -394.420
Base-Backbone interact. energy: 2.162
local terms energy: -430.409327
where:
bonds (distance) C4'-P energy: -88.043
bonds (distance) P-C4' energy: -100.683
flat angles C4'-P-C4' energy: -97.753
flat angles P-C4'-P energy: -52.964
tors. eta vs tors. theta energy: -90.966
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: 8
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1354.622190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.622190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.622190 (E_RNA)
where:
Base-Base interactions energy: -905.695
where: short stacking energy: -366.033
Base-Backbone interact. energy: -1.570
local terms energy: -447.357323
where:
bonds (distance) C4'-P energy: -90.569
bonds (distance) P-C4' energy: -109.886
flat angles C4'-P-C4' energy: -106.044
flat angles P-C4'-P energy: -52.548
tors. eta vs tors. theta energy: -88.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1147.346761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.346761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.346761 (E_RNA)
where:
Base-Base interactions energy: -754.830
where: short stacking energy: -315.962
Base-Backbone interact. energy: 2.086
local terms energy: -394.603559
where:
bonds (distance) C4'-P energy: -91.703
bonds (distance) P-C4' energy: -96.461
flat angles C4'-P-C4' energy: -103.870
flat angles P-C4'-P energy: -45.596
tors. eta vs tors. theta energy: -56.974
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: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -760.138483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.138483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.138483 (E_RNA)
where:
Base-Base interactions energy: -424.900
where: short stacking energy: -177.236
Base-Backbone interact. energy: -2.256
local terms energy: -332.982413
where:
bonds (distance) C4'-P energy: -77.033
bonds (distance) P-C4' energy: -87.393
flat angles C4'-P-C4' energy: -95.988
flat angles P-C4'-P energy: -57.643
tors. eta vs tors. theta energy: -14.926
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: 384
Temperature: 1.350000
Total energy: -533.384396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.384396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.384396 (E_RNA)
where:
Base-Base interactions energy: -243.060
where: short stacking energy: -134.944
Base-Backbone interact. energy: -2.220
local terms energy: -288.104787
where:
bonds (distance) C4'-P energy: -96.702
bonds (distance) P-C4' energy: -81.958
flat angles C4'-P-C4' energy: -65.781
flat angles P-C4'-P energy: -49.255
tors. eta vs tors. theta energy: 5.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1884.755558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.755558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.755558 (E_RNA)
where:
Base-Base interactions energy: -1320.851
where: short stacking energy: -559.093
Base-Backbone interact. energy: -3.636
local terms energy: -560.268358
where:
bonds (distance) C4'-P energy: -108.296
bonds (distance) P-C4' energy: -102.778
flat angles C4'-P-C4' energy: -115.996
flat angles P-C4'-P energy: -78.218
tors. eta vs tors. theta energy: -154.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1786.023871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.023871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.023871 (E_RNA)
where:
Base-Base interactions energy: -1256.814
where: short stacking energy: -502.139
Base-Backbone interact. energy: -1.983
local terms energy: -527.227312
where:
bonds (distance) C4'-P energy: -99.060
bonds (distance) P-C4' energy: -95.122
flat angles C4'-P-C4' energy: -119.703
flat angles P-C4'-P energy: -74.821
tors. eta vs tors. theta energy: -138.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1764.494488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.494488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.494488 (E_RNA)
where:
Base-Base interactions energy: -1251.852
where: short stacking energy: -505.522
Base-Backbone interact. energy: 0.097
local terms energy: -512.739494
where:
bonds (distance) C4'-P energy: -88.854
bonds (distance) P-C4' energy: -104.055
flat angles C4'-P-C4' energy: -112.797
flat angles P-C4'-P energy: -68.687
tors. eta vs tors. theta energy: -138.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1589.497914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.497914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.497914 (E_RNA)
where:
Base-Base interactions energy: -1118.898
where: short stacking energy: -446.414
Base-Backbone interact. energy: -1.079
local terms energy: -469.520791
where:
bonds (distance) C4'-P energy: -77.953
bonds (distance) P-C4' energy: -88.369
flat angles C4'-P-C4' energy: -105.429
flat angles P-C4'-P energy: -77.822
tors. eta vs tors. theta energy: -119.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1560.613916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.613916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.613916 (E_RNA)
where:
Base-Base interactions energy: -1070.756
where: short stacking energy: -446.938
Base-Backbone interact. energy: 3.026
local terms energy: -492.883503
where:
bonds (distance) C4'-P energy: -84.932
bonds (distance) P-C4' energy: -105.912
flat angles C4'-P-C4' energy: -106.626
flat angles P-C4'-P energy: -70.096
tors. eta vs tors. theta energy: -125.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1399.815930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.815930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.815930 (E_RNA)
where:
Base-Base interactions energy: -959.690
where: short stacking energy: -396.797
Base-Backbone interact. energy: 3.326
local terms energy: -443.451150
where:
bonds (distance) C4'-P energy: -91.496
bonds (distance) P-C4' energy: -83.758
flat angles C4'-P-C4' energy: -110.239
flat angles P-C4'-P energy: -57.138
tors. eta vs tors. theta energy: -100.820
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: 8
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1288.824770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.824770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.824770 (E_RNA)
where:
Base-Base interactions energy: -878.139
where: short stacking energy: -385.598
Base-Backbone interact. energy: 8.989
local terms energy: -419.674459
where:
bonds (distance) C4'-P energy: -83.006
bonds (distance) P-C4' energy: -97.380
flat angles C4'-P-C4' energy: -92.812
flat angles P-C4'-P energy: -58.221
tors. eta vs tors. theta energy: -88.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1054.083213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.083213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.083213 (E_RNA)
where:
Base-Base interactions energy: -675.794
where: short stacking energy: -278.249
Base-Backbone interact. energy: -0.658
local terms energy: -377.630621
where:
bonds (distance) C4'-P energy: -102.044
bonds (distance) P-C4' energy: -89.861
flat angles C4'-P-C4' energy: -96.566
flat angles P-C4'-P energy: -43.685
tors. eta vs tors. theta energy: -45.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -734.815888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.815888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.815888 (E_RNA)
where:
Base-Base interactions energy: -415.280
where: short stacking energy: -222.842
Base-Backbone interact. energy: 3.783
local terms energy: -323.319430
where:
bonds (distance) C4'-P energy: -89.386
bonds (distance) P-C4' energy: -90.667
flat angles C4'-P-C4' energy: -91.276
flat angles P-C4'-P energy: -36.391
tors. eta vs tors. theta energy: -15.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -530.254273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.254273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.254273 (E_RNA)
where:
Base-Base interactions energy: -237.141
where: short stacking energy: -136.383
Base-Backbone interact. energy: 0.963
local terms energy: -294.075698
where:
bonds (distance) C4'-P energy: -91.875
bonds (distance) P-C4' energy: -92.160
flat angles C4'-P-C4' energy: -60.242
flat angles P-C4'-P energy: -48.902
tors. eta vs tors. theta energy: -0.897
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: 386
Temperature: 0.900000
Total energy: -1894.108484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.108484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.108484 (E_RNA)
where:
Base-Base interactions energy: -1324.222
where: short stacking energy: -553.204
Base-Backbone interact. energy: -1.661
local terms energy: -568.225936
where:
bonds (distance) C4'-P energy: -100.948
bonds (distance) P-C4' energy: -110.614
flat angles C4'-P-C4' energy: -123.588
flat angles P-C4'-P energy: -74.843
tors. eta vs tors. theta energy: -158.232
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: 3
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1781.089922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.089922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.089922 (E_RNA)
where:
Base-Base interactions energy: -1249.256
where: short stacking energy: -524.509
Base-Backbone interact. energy: -0.782
local terms energy: -531.051844
where:
bonds (distance) C4'-P energy: -94.884
bonds (distance) P-C4' energy: -103.165
flat angles C4'-P-C4' energy: -120.202
flat angles P-C4'-P energy: -70.675
tors. eta vs tors. theta energy: -142.126
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: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1760.393403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.393403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.393403 (E_RNA)
where:
Base-Base interactions energy: -1231.453
where: short stacking energy: -493.052
Base-Backbone interact. energy: -1.698
local terms energy: -527.242119
where:
bonds (distance) C4'-P energy: -105.351
bonds (distance) P-C4' energy: -98.101
flat angles C4'-P-C4' energy: -124.118
flat angles P-C4'-P energy: -72.417
tors. eta vs tors. theta energy: -127.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1610.532117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.532117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.532117 (E_RNA)
where:
Base-Base interactions energy: -1134.269
where: short stacking energy: -458.449
Base-Backbone interact. energy: -1.403
local terms energy: -474.860606
where:
bonds (distance) C4'-P energy: -93.290
bonds (distance) P-C4' energy: -101.473
flat angles C4'-P-C4' energy: -90.160
flat angles P-C4'-P energy: -62.577
tors. eta vs tors. theta energy: -127.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1460.216510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.216510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.216510 (E_RNA)
where:
Base-Base interactions energy: -1030.393
where: short stacking energy: -437.997
Base-Backbone interact. energy: -0.790
local terms energy: -429.033369
where:
bonds (distance) C4'-P energy: -72.278
bonds (distance) P-C4' energy: -95.403
flat angles C4'-P-C4' energy: -82.548
flat angles P-C4'-P energy: -70.607
tors. eta vs tors. theta energy: -108.197
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: 6
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1458.186240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.186240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.186240 (E_RNA)
where:
Base-Base interactions energy: -962.562
where: short stacking energy: -409.629
Base-Backbone interact. energy: -0.178
local terms energy: -495.446141
where:
bonds (distance) C4'-P energy: -101.179
bonds (distance) P-C4' energy: -101.600
flat angles C4'-P-C4' energy: -115.473
flat angles P-C4'-P energy: -67.031
tors. eta vs tors. theta energy: -110.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1309.609524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.609524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.609524 (E_RNA)
where:
Base-Base interactions energy: -887.087
where: short stacking energy: -352.344
Base-Backbone interact. energy: -1.790
local terms energy: -420.732895
where:
bonds (distance) C4'-P energy: -84.589
bonds (distance) P-C4' energy: -101.800
flat angles C4'-P-C4' energy: -89.328
flat angles P-C4'-P energy: -58.723
tors. eta vs tors. theta energy: -86.292
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: 386
Temperature: 1.250000
Total energy: -1058.214303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.214303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.214303 (E_RNA)
where:
Base-Base interactions energy: -685.854
where: short stacking energy: -291.556
Base-Backbone interact. energy: -3.435
local terms energy: -368.924980
where:
bonds (distance) C4'-P energy: -78.513
bonds (distance) P-C4' energy: -92.118
flat angles C4'-P-C4' energy: -101.667
flat angles P-C4'-P energy: -38.904
tors. eta vs tors. theta energy: -57.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -757.234796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.234796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.234796 (E_RNA)
where:
Base-Base interactions energy: -446.689
where: short stacking energy: -216.118
Base-Backbone interact. energy: 1.838
local terms energy: -312.383374
where:
bonds (distance) C4'-P energy: -82.033
bonds (distance) P-C4' energy: -90.662
flat angles C4'-P-C4' energy: -73.203
flat angles P-C4'-P energy: -47.585
tors. eta vs tors. theta energy: -18.900
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: 10, replica: 10
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -540.519713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.519713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.519713 (E_RNA)
where:
Base-Base interactions energy: -256.549
where: short stacking energy: -156.222
Base-Backbone interact. energy: -1.692
local terms energy: -282.278773
where:
bonds (distance) C4'-P energy: -72.453
bonds (distance) P-C4' energy: -85.061
flat angles C4'-P-C4' energy: -77.218
flat angles P-C4'-P energy: -41.630
tors. eta vs tors. theta energy: -5.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1882.903186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.903186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.903186 (E_RNA)
where:
Base-Base interactions energy: -1317.159
where: short stacking energy: -545.836
Base-Backbone interact. energy: 5.833
local terms energy: -571.577251
where:
bonds (distance) C4'-P energy: -109.892
bonds (distance) P-C4' energy: -110.205
flat angles C4'-P-C4' energy: -118.229
flat angles P-C4'-P energy: -76.213
tors. eta vs tors. theta energy: -157.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1789.418410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.418410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.418410 (E_RNA)
where:
Base-Base interactions energy: -1257.810
where: short stacking energy: -512.288
Base-Backbone interact. energy: 3.410
local terms energy: -535.018357
where:
bonds (distance) C4'-P energy: -92.943
bonds (distance) P-C4' energy: -104.615
flat angles C4'-P-C4' energy: -113.847
flat angles P-C4'-P energy: -83.687
tors. eta vs tors. theta energy: -139.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1720.626365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.626365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.626365 (E_RNA)
where:
Base-Base interactions energy: -1198.361
where: short stacking energy: -513.938
Base-Backbone interact. energy: 0.102
local terms energy: -522.367065
where:
bonds (distance) C4'-P energy: -85.348
bonds (distance) P-C4' energy: -93.259
flat angles C4'-P-C4' energy: -117.796
flat angles P-C4'-P energy: -81.024
tors. eta vs tors. theta energy: -144.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1652.601714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.601714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.601714 (E_RNA)
where:
Base-Base interactions energy: -1158.586
where: short stacking energy: -471.244
Base-Backbone interact. energy: 0.210
local terms energy: -494.225688
where:
bonds (distance) C4'-P energy: -105.547
bonds (distance) P-C4' energy: -99.074
flat angles C4'-P-C4' energy: -100.908
flat angles P-C4'-P energy: -71.312
tors. eta vs tors. theta energy: -117.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1456.277559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.277559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.277559 (E_RNA)
where:
Base-Base interactions energy: -988.416
where: short stacking energy: -410.784
Base-Backbone interact. energy: -1.217
local terms energy: -466.644542
where:
bonds (distance) C4'-P energy: -88.765
bonds (distance) P-C4' energy: -95.636
flat angles C4'-P-C4' energy: -111.179
flat angles P-C4'-P energy: -71.930
tors. eta vs tors. theta energy: -99.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1455.670344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.670344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.670344 (E_RNA)
where:
Base-Base interactions energy: -998.545
where: short stacking energy: -428.627
Base-Backbone interact. energy: -0.909
local terms energy: -456.215866
where:
bonds (distance) C4'-P energy: -77.987
bonds (distance) P-C4' energy: -96.520
flat angles C4'-P-C4' energy: -100.162
flat angles P-C4'-P energy: -69.141
tors. eta vs tors. theta energy: -112.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1331.094045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.094045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.094045 (E_RNA)
where:
Base-Base interactions energy: -888.677
where: short stacking energy: -390.269
Base-Backbone interact. energy: 1.044
local terms energy: -443.461600
where:
bonds (distance) C4'-P energy: -77.119
bonds (distance) P-C4' energy: -98.082
flat angles C4'-P-C4' energy: -100.800
flat angles P-C4'-P energy: -68.309
tors. eta vs tors. theta energy: -99.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1107.877139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.877139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.877139 (E_RNA)
where:
Base-Base interactions energy: -736.562
where: short stacking energy: -328.662
Base-Backbone interact. energy: -0.110
local terms energy: -371.205313
where:
bonds (distance) C4'-P energy: -69.150
bonds (distance) P-C4' energy: -79.318
flat angles C4'-P-C4' energy: -96.023
flat angles P-C4'-P energy: -58.844
tors. eta vs tors. theta energy: -67.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -803.668574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.668574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.668574 (E_RNA)
where:
Base-Base interactions energy: -485.520
where: short stacking energy: -237.094
Base-Backbone interact. energy: 3.271
local terms energy: -321.420005
where:
bonds (distance) C4'-P energy: -76.867
bonds (distance) P-C4' energy: -90.766
flat angles C4'-P-C4' energy: -66.134
flat angles P-C4'-P energy: -68.293
tors. eta vs tors. theta energy: -19.360
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: 387
Temperature: 1.350000
Total energy: -581.545307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.545307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.545307 (E_RNA)
where:
Base-Base interactions energy: -278.459
where: short stacking energy: -173.047
Base-Backbone interact. energy: 1.029
local terms energy: -304.115593
where:
bonds (distance) C4'-P energy: -86.841
bonds (distance) P-C4' energy: -79.961
flat angles C4'-P-C4' energy: -68.347
flat angles P-C4'-P energy: -57.047
tors. eta vs tors. theta energy: -11.919
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: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1890.933367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.933367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.933367 (E_RNA)
where:
Base-Base interactions energy: -1328.952
where: short stacking energy: -564.970
Base-Backbone interact. energy: -1.710
local terms energy: -560.271169
where:
bonds (distance) C4'-P energy: -88.636
bonds (distance) P-C4' energy: -107.558
flat angles C4'-P-C4' energy: -124.959
flat angles P-C4'-P energy: -85.859
tors. eta vs tors. theta energy: -153.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1785.475983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.475983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.475983 (E_RNA)
where:
Base-Base interactions energy: -1292.308
where: short stacking energy: -512.077
Base-Backbone interact. energy: -1.182
local terms energy: -491.986005
where:
bonds (distance) C4'-P energy: -80.368
bonds (distance) P-C4' energy: -80.144
flat angles C4'-P-C4' energy: -121.155
flat angles P-C4'-P energy: -71.079
tors. eta vs tors. theta energy: -139.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1752.597170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.597170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.597170 (E_RNA)
where:
Base-Base interactions energy: -1219.509
where: short stacking energy: -507.718
Base-Backbone interact. energy: -4.058
local terms energy: -529.030858
where:
bonds (distance) C4'-P energy: -112.814
bonds (distance) P-C4' energy: -90.853
flat angles C4'-P-C4' energy: -109.092
flat angles P-C4'-P energy: -71.010
tors. eta vs tors. theta energy: -145.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1647.054563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.054563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.054563 (E_RNA)
where:
Base-Base interactions energy: -1141.444
where: short stacking energy: -464.443
Base-Backbone interact. energy: 1.178
local terms energy: -506.788900
where:
bonds (distance) C4'-P energy: -82.098
bonds (distance) P-C4' energy: -115.711
flat angles C4'-P-C4' energy: -100.332
flat angles P-C4'-P energy: -70.979
tors. eta vs tors. theta energy: -137.669
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: 5, replica: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1491.523212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.523212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.523212 (E_RNA)
where:
Base-Base interactions energy: -1039.065
where: short stacking energy: -447.066
Base-Backbone interact. energy: 7.075
local terms energy: -459.533548
where:
bonds (distance) C4'-P energy: -80.231
bonds (distance) P-C4' energy: -91.789
flat angles C4'-P-C4' energy: -107.237
flat angles P-C4'-P energy: -71.812
tors. eta vs tors. theta energy: -108.465
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: 6, replica: 4
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1430.766545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.766545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.766545 (E_RNA)
where:
Base-Base interactions energy: -987.421
where: short stacking energy: -417.390
Base-Backbone interact. energy: 0.418
local terms energy: -443.763559
where:
bonds (distance) C4'-P energy: -86.515
bonds (distance) P-C4' energy: -90.071
flat angles C4'-P-C4' energy: -92.970
flat angles P-C4'-P energy: -71.661
tors. eta vs tors. theta energy: -102.547
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: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1316.557394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.557394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.557394 (E_RNA)
where:
Base-Base interactions energy: -872.717
where: short stacking energy: -374.894
Base-Backbone interact. energy: -1.503
local terms energy: -442.336492
where:
bonds (distance) C4'-P energy: -86.883
bonds (distance) P-C4' energy: -82.445
flat angles C4'-P-C4' energy: -97.130
flat angles P-C4'-P energy: -75.560
tors. eta vs tors. theta energy: -100.319
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: 7
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1156.911795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.911795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.911795 (E_RNA)
where:
Base-Base interactions energy: -766.575
where: short stacking energy: -329.583
Base-Backbone interact. energy: 2.611
local terms energy: -392.947765
where:
bonds (distance) C4'-P energy: -94.542
bonds (distance) P-C4' energy: -83.571
flat angles C4'-P-C4' energy: -93.086
flat angles P-C4'-P energy: -62.631
tors. eta vs tors. theta energy: -59.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -761.344989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.344989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.344989 (E_RNA)
where:
Base-Base interactions energy: -441.171
where: short stacking energy: -235.810
Base-Backbone interact. energy: 0.755
local terms energy: -320.928366
where:
bonds (distance) C4'-P energy: -83.246
bonds (distance) P-C4' energy: -96.338
flat angles C4'-P-C4' energy: -69.994
flat angles P-C4'-P energy: -41.659
tors. eta vs tors. theta energy: -29.692
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: 388
Temperature: 1.350000
Total energy: -586.112639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.112639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.112639 (E_RNA)
where:
Base-Base interactions energy: -302.373
where: short stacking energy: -151.457
Base-Backbone interact. energy: 3.467
local terms energy: -287.207048
where:
bonds (distance) C4'-P energy: -81.605
bonds (distance) P-C4' energy: -79.153
flat angles C4'-P-C4' energy: -86.174
flat angles P-C4'-P energy: -42.425
tors. eta vs tors. theta energy: 2.151
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: 389
Temperature: 0.900000
Total energy: -1903.125137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.125137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.125137 (E_RNA)
where:
Base-Base interactions energy: -1339.705
where: short stacking energy: -536.086
Base-Backbone interact. energy: -3.672
local terms energy: -559.747556
where:
bonds (distance) C4'-P energy: -106.702
bonds (distance) P-C4' energy: -96.990
flat angles C4'-P-C4' energy: -116.233
flat angles P-C4'-P energy: -84.885
tors. eta vs tors. theta energy: -154.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1803.734173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.734173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.734173 (E_RNA)
where:
Base-Base interactions energy: -1248.562
where: short stacking energy: -526.222
Base-Backbone interact. energy: -2.752
local terms energy: -552.420163
where:
bonds (distance) C4'-P energy: -95.625
bonds (distance) P-C4' energy: -95.935
flat angles C4'-P-C4' energy: -121.428
flat angles P-C4'-P energy: -81.807
tors. eta vs tors. theta energy: -157.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1743.398515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.398515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.398515 (E_RNA)
where:
Base-Base interactions energy: -1229.988
where: short stacking energy: -513.268
Base-Backbone interact. energy: -0.340
local terms energy: -513.070862
where:
bonds (distance) C4'-P energy: -87.849
bonds (distance) P-C4' energy: -102.828
flat angles C4'-P-C4' energy: -115.129
flat angles P-C4'-P energy: -78.759
tors. eta vs tors. theta energy: -128.505
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: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1658.403613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.403613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.403613 (E_RNA)
where:
Base-Base interactions energy: -1146.485
where: short stacking energy: -499.201
Base-Backbone interact. energy: -2.621
local terms energy: -509.297257
where:
bonds (distance) C4'-P energy: -91.212
bonds (distance) P-C4' energy: -102.146
flat angles C4'-P-C4' energy: -107.021
flat angles P-C4'-P energy: -73.256
tors. eta vs tors. theta energy: -135.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1500.099424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.099424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.099424 (E_RNA)
where:
Base-Base interactions energy: -1005.818
where: short stacking energy: -432.013
Base-Backbone interact. energy: -0.191
local terms energy: -494.089918
where:
bonds (distance) C4'-P energy: -97.696
bonds (distance) P-C4' energy: -103.463
flat angles C4'-P-C4' energy: -106.335
flat angles P-C4'-P energy: -67.306
tors. eta vs tors. theta energy: -119.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1421.777417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.777417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.777417 (E_RNA)
where:
Base-Base interactions energy: -941.815
where: short stacking energy: -405.749
Base-Backbone interact. energy: -1.229
local terms energy: -478.734019
where:
bonds (distance) C4'-P energy: -89.784
bonds (distance) P-C4' energy: -90.671
flat angles C4'-P-C4' energy: -106.053
flat angles P-C4'-P energy: -82.688
tors. eta vs tors. theta energy: -109.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1352.004491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.004491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.004491 (E_RNA)
where:
Base-Base interactions energy: -932.853
where: short stacking energy: -388.752
Base-Backbone interact. energy: -0.166
local terms energy: -418.984576
where:
bonds (distance) C4'-P energy: -93.652
bonds (distance) P-C4' energy: -104.308
flat angles C4'-P-C4' energy: -93.328
flat angles P-C4'-P energy: -35.918
tors. eta vs tors. theta energy: -91.779
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: 7
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1110.755367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.755367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.755367 (E_RNA)
where:
Base-Base interactions energy: -727.530
where: short stacking energy: -326.651
Base-Backbone interact. energy: -0.936
local terms energy: -382.289623
where:
bonds (distance) C4'-P energy: -89.024
bonds (distance) P-C4' energy: -83.706
flat angles C4'-P-C4' energy: -96.215
flat angles P-C4'-P energy: -49.499
tors. eta vs tors. theta energy: -63.846
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: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -764.285166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.285166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.285166 (E_RNA)
where:
Base-Base interactions energy: -427.494
where: short stacking energy: -227.182
Base-Backbone interact. energy: -2.265
local terms energy: -334.525636
where:
bonds (distance) C4'-P energy: -76.860
bonds (distance) P-C4' energy: -107.576
flat angles C4'-P-C4' energy: -74.730
flat angles P-C4'-P energy: -51.328
tors. eta vs tors. theta energy: -24.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -583.990347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.990347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.990347 (E_RNA)
where:
Base-Base interactions energy: -290.987
where: short stacking energy: -152.946
Base-Backbone interact. energy: -1.892
local terms energy: -291.111249
where:
bonds (distance) C4'-P energy: -76.942
bonds (distance) P-C4' energy: -104.645
flat angles C4'-P-C4' energy: -68.011
flat angles P-C4'-P energy: -43.381
tors. eta vs tors. theta energy: 1.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1889.902608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.902608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.902608 (E_RNA)
where:
Base-Base interactions energy: -1342.335
where: short stacking energy: -562.206
Base-Backbone interact. energy: -0.522
local terms energy: -547.045435
where:
bonds (distance) C4'-P energy: -103.356
bonds (distance) P-C4' energy: -97.829
flat angles C4'-P-C4' energy: -114.042
flat angles P-C4'-P energy: -80.896
tors. eta vs tors. theta energy: -150.923
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: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1758.552059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.552059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.552059 (E_RNA)
where:
Base-Base interactions energy: -1226.640
where: short stacking energy: -498.949
Base-Backbone interact. energy: -2.066
local terms energy: -529.845934
where:
bonds (distance) C4'-P energy: -90.724
bonds (distance) P-C4' energy: -116.570
flat angles C4'-P-C4' energy: -119.225
flat angles P-C4'-P energy: -69.614
tors. eta vs tors. theta energy: -133.712
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: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1754.885323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.885323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.885323 (E_RNA)
where:
Base-Base interactions energy: -1235.328
where: short stacking energy: -512.000
Base-Backbone interact. energy: 0.293
local terms energy: -519.850345
where:
bonds (distance) C4'-P energy: -97.701
bonds (distance) P-C4' energy: -104.005
flat angles C4'-P-C4' energy: -110.970
flat angles P-C4'-P energy: -71.881
tors. eta vs tors. theta energy: -135.294
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: 4, replica: 5
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1661.335599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.335599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.335599 (E_RNA)
where:
Base-Base interactions energy: -1151.938
where: short stacking energy: -488.199
Base-Backbone interact. energy: -1.692
local terms energy: -507.706216
where:
bonds (distance) C4'-P energy: -97.145
bonds (distance) P-C4' energy: -93.303
flat angles C4'-P-C4' energy: -109.138
flat angles P-C4'-P energy: -74.785
tors. eta vs tors. theta energy: -133.335
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: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1536.832566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.832566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.832566 (E_RNA)
where:
Base-Base interactions energy: -1069.675
where: short stacking energy: -465.976
Base-Backbone interact. energy: -3.234
local terms energy: -463.923919
where:
bonds (distance) C4'-P energy: -83.795
bonds (distance) P-C4' energy: -86.037
flat angles C4'-P-C4' energy: -109.102
flat angles P-C4'-P energy: -61.277
tors. eta vs tors. theta energy: -123.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1363.588077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.588077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.588077 (E_RNA)
where:
Base-Base interactions energy: -912.718
where: short stacking energy: -411.937
Base-Backbone interact. energy: -0.850
local terms energy: -450.020853
where:
bonds (distance) C4'-P energy: -91.183
bonds (distance) P-C4' energy: -89.528
flat angles C4'-P-C4' energy: -103.910
flat angles P-C4'-P energy: -65.216
tors. eta vs tors. theta energy: -100.183
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: 4
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1356.585589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.585589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.585589 (E_RNA)
where:
Base-Base interactions energy: -904.264
where: short stacking energy: -366.278
Base-Backbone interact. energy: -2.465
local terms energy: -449.855966
where:
bonds (distance) C4'-P energy: -78.648
bonds (distance) P-C4' energy: -98.012
flat angles C4'-P-C4' energy: -102.776
flat angles P-C4'-P energy: -69.763
tors. eta vs tors. theta energy: -100.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1134.886572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.886572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.886572 (E_RNA)
where:
Base-Base interactions energy: -752.607
where: short stacking energy: -328.255
Base-Backbone interact. energy: -1.921
local terms energy: -380.358018
where:
bonds (distance) C4'-P energy: -74.910
bonds (distance) P-C4' energy: -96.721
flat angles C4'-P-C4' energy: -92.290
flat angles P-C4'-P energy: -54.789
tors. eta vs tors. theta energy: -61.648
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: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -774.110641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.110641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.110641 (E_RNA)
where:
Base-Base interactions energy: -451.732
where: short stacking energy: -238.138
Base-Backbone interact. energy: 5.034
local terms energy: -327.412283
where:
bonds (distance) C4'-P energy: -76.755
bonds (distance) P-C4' energy: -85.929
flat angles C4'-P-C4' energy: -73.892
flat angles P-C4'-P energy: -58.726
tors. eta vs tors. theta energy: -32.109
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: 390
Temperature: 1.350000
Total energy: -572.872734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.872734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.872734 (E_RNA)
where:
Base-Base interactions energy: -316.897
where: short stacking energy: -174.770
Base-Backbone interact. energy: 2.201
local terms energy: -258.176869
where:
bonds (distance) C4'-P energy: -75.137
bonds (distance) P-C4' energy: -78.411
flat angles C4'-P-C4' energy: -70.428
flat angles P-C4'-P energy: -42.783
tors. eta vs tors. theta energy: 8.582
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: 391
Temperature: 0.900000
Total energy: -1870.898918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.898918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.898918 (E_RNA)
where:
Base-Base interactions energy: -1321.255
where: short stacking energy: -539.232
Base-Backbone interact. energy: -2.031
local terms energy: -547.613229
where:
bonds (distance) C4'-P energy: -107.779
bonds (distance) P-C4' energy: -101.594
flat angles C4'-P-C4' energy: -114.869
flat angles P-C4'-P energy: -74.975
tors. eta vs tors. theta energy: -148.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1775.807455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.807455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.807455 (E_RNA)
where:
Base-Base interactions energy: -1243.131
where: short stacking energy: -517.811
Base-Backbone interact. energy: -3.113
local terms energy: -529.563388
where:
bonds (distance) C4'-P energy: -94.903
bonds (distance) P-C4' energy: -104.866
flat angles C4'-P-C4' energy: -105.377
flat angles P-C4'-P energy: -85.152
tors. eta vs tors. theta energy: -139.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1755.311618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.311618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.311618 (E_RNA)
where:
Base-Base interactions energy: -1241.263
where: short stacking energy: -534.516
Base-Backbone interact. energy: -3.076
local terms energy: -510.972947
where:
bonds (distance) C4'-P energy: -95.762
bonds (distance) P-C4' energy: -100.890
flat angles C4'-P-C4' energy: -109.572
flat angles P-C4'-P energy: -68.579
tors. eta vs tors. theta energy: -136.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1646.369405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.369405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.369405 (E_RNA)
where:
Base-Base interactions energy: -1147.866
where: short stacking energy: -474.709
Base-Backbone interact. energy: -1.196
local terms energy: -497.307636
where:
bonds (distance) C4'-P energy: -92.130
bonds (distance) P-C4' energy: -101.908
flat angles C4'-P-C4' energy: -101.938
flat angles P-C4'-P energy: -80.093
tors. eta vs tors. theta energy: -121.238
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: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1579.897568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.897568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.897568 (E_RNA)
where:
Base-Base interactions energy: -1063.216
where: short stacking energy: -477.038
Base-Backbone interact. energy: -2.312
local terms energy: -514.369159
where:
bonds (distance) C4'-P energy: -95.451
bonds (distance) P-C4' energy: -99.642
flat angles C4'-P-C4' energy: -101.103
flat angles P-C4'-P energy: -77.701
tors. eta vs tors. theta energy: -140.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1342.934846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.934846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.934846 (E_RNA)
where:
Base-Base interactions energy: -914.673
where: short stacking energy: -384.251
Base-Backbone interact. energy: -2.191
local terms energy: -426.071217
where:
bonds (distance) C4'-P energy: -82.958
bonds (distance) P-C4' energy: -91.171
flat angles C4'-P-C4' energy: -107.832
flat angles P-C4'-P energy: -55.440
tors. eta vs tors. theta energy: -88.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1336.416371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.416371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.416371 (E_RNA)
where:
Base-Base interactions energy: -886.649
where: short stacking energy: -375.933
Base-Backbone interact. energy: -2.437
local terms energy: -447.330937
where:
bonds (distance) C4'-P energy: -88.728
bonds (distance) P-C4' energy: -96.129
flat angles C4'-P-C4' energy: -85.394
flat angles P-C4'-P energy: -72.891
tors. eta vs tors. theta energy: -104.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1151.700252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.700252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.700252 (E_RNA)
where:
Base-Base interactions energy: -755.674
where: short stacking energy: -340.278
Base-Backbone interact. energy: 0.168
local terms energy: -396.194319
where:
bonds (distance) C4'-P energy: -82.529
bonds (distance) P-C4' energy: -89.821
flat angles C4'-P-C4' energy: -94.363
flat angles P-C4'-P energy: -67.344
tors. eta vs tors. theta energy: -62.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -734.452530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.452530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.452530 (E_RNA)
where:
Base-Base interactions energy: -436.994
where: short stacking energy: -226.150
Base-Backbone interact. energy: -1.438
local terms energy: -296.020851
where:
bonds (distance) C4'-P energy: -74.345
bonds (distance) P-C4' energy: -83.011
flat angles C4'-P-C4' energy: -74.538
flat angles P-C4'-P energy: -52.667
tors. eta vs tors. theta energy: -11.459
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: 10, replica: 10
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -585.381779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.381779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.381779 (E_RNA)
where:
Base-Base interactions energy: -316.240
where: short stacking energy: -178.567
Base-Backbone interact. energy: 3.486
local terms energy: -272.627002
where:
bonds (distance) C4'-P energy: -73.702
bonds (distance) P-C4' energy: -98.592
flat angles C4'-P-C4' energy: -65.667
flat angles P-C4'-P energy: -33.925
tors. eta vs tors. theta energy: -0.740
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: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1888.932656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.932656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.932656 (E_RNA)
where:
Base-Base interactions energy: -1335.464
where: short stacking energy: -560.655
Base-Backbone interact. energy: -5.098
local terms energy: -548.371228
where:
bonds (distance) C4'-P energy: -91.911
bonds (distance) P-C4' energy: -107.414
flat angles C4'-P-C4' energy: -110.690
flat angles P-C4'-P energy: -83.780
tors. eta vs tors. theta energy: -154.576
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: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1750.711202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.711202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.711202 (E_RNA)
where:
Base-Base interactions energy: -1211.964
where: short stacking energy: -481.754
Base-Backbone interact. energy: -2.449
local terms energy: -536.298331
where:
bonds (distance) C4'-P energy: -103.904
bonds (distance) P-C4' energy: -107.086
flat angles C4'-P-C4' energy: -116.084
flat angles P-C4'-P energy: -76.333
tors. eta vs tors. theta energy: -132.890
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: 1
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1709.386843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.386843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.386843 (E_RNA)
where:
Base-Base interactions energy: -1212.552
where: short stacking energy: -487.230
Base-Backbone interact. energy: 5.439
local terms energy: -502.273488
where:
bonds (distance) C4'-P energy: -80.265
bonds (distance) P-C4' energy: -93.412
flat angles C4'-P-C4' energy: -121.915
flat angles P-C4'-P energy: -70.898
tors. eta vs tors. theta energy: -135.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1670.637311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.637311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.637311 (E_RNA)
where:
Base-Base interactions energy: -1178.159
where: short stacking energy: -488.750
Base-Backbone interact. energy: 0.350
local terms energy: -492.828526
where:
bonds (distance) C4'-P energy: -86.342
bonds (distance) P-C4' energy: -88.980
flat angles C4'-P-C4' energy: -112.764
flat angles P-C4'-P energy: -71.997
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: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1573.230899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.230899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.230899 (E_RNA)
where:
Base-Base interactions energy: -1102.692
where: short stacking energy: -475.366
Base-Backbone interact. energy: -0.559
local terms energy: -469.979713
where:
bonds (distance) C4'-P energy: -85.214
bonds (distance) P-C4' energy: -77.661
flat angles C4'-P-C4' energy: -108.375
flat angles P-C4'-P energy: -62.315
tors. eta vs tors. theta energy: -136.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1308.315165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.315165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.315165 (E_RNA)
where:
Base-Base interactions energy: -861.008
where: short stacking energy: -389.895
Base-Backbone interact. energy: 0.169
local terms energy: -447.475375
where:
bonds (distance) C4'-P energy: -88.087
bonds (distance) P-C4' energy: -95.242
flat angles C4'-P-C4' energy: -92.419
flat angles P-C4'-P energy: -68.357
tors. eta vs tors. theta energy: -103.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1323.778825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.778825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.778825 (E_RNA)
where:
Base-Base interactions energy: -920.824
where: short stacking energy: -359.053
Base-Backbone interact. energy: -1.541
local terms energy: -401.413773
where:
bonds (distance) C4'-P energy: -63.172
bonds (distance) P-C4' energy: -94.513
flat angles C4'-P-C4' energy: -82.517
flat angles P-C4'-P energy: -77.129
tors. eta vs tors. theta energy: -84.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1165.573302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.573302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.573302 (E_RNA)
where:
Base-Base interactions energy: -797.493
where: short stacking energy: -347.521
Base-Backbone interact. energy: 0.958
local terms energy: -369.037953
where:
bonds (distance) C4'-P energy: -77.261
bonds (distance) P-C4' energy: -86.746
flat angles C4'-P-C4' energy: -95.745
flat angles P-C4'-P energy: -40.189
tors. eta vs tors. theta energy: -69.098
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: 9
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -769.877076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.877076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.877076 (E_RNA)
where:
Base-Base interactions energy: -461.867
where: short stacking energy: -234.420
Base-Backbone interact. energy: 1.611
local terms energy: -309.621308
where:
bonds (distance) C4'-P energy: -77.382
bonds (distance) P-C4' energy: -90.267
flat angles C4'-P-C4' energy: -75.919
flat angles P-C4'-P energy: -39.276
tors. eta vs tors. theta energy: -26.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -631.342201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.342201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.342201 (E_RNA)
where:
Base-Base interactions energy: -340.618
where: short stacking energy: -180.325
Base-Backbone interact. energy: 1.214
local terms energy: -291.938085
where:
bonds (distance) C4'-P energy: -83.203
bonds (distance) P-C4' energy: -79.310
flat angles C4'-P-C4' energy: -65.535
flat angles P-C4'-P energy: -57.158
tors. eta vs tors. theta energy: -6.732
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: 393
Temperature: 0.900000
Total energy: -1876.159019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.159019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.159019 (E_RNA)
where:
Base-Base interactions energy: -1323.101
where: short stacking energy: -541.131
Base-Backbone interact. energy: -1.097
local terms energy: -551.961228
where:
bonds (distance) C4'-P energy: -110.373
bonds (distance) P-C4' energy: -103.631
flat angles C4'-P-C4' energy: -113.087
flat angles P-C4'-P energy: -76.761
tors. eta vs tors. theta energy: -148.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1796.769479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.769479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.769479 (E_RNA)
where:
Base-Base interactions energy: -1258.823
where: short stacking energy: -528.472
Base-Backbone interact. energy: 1.968
local terms energy: -539.913858
where:
bonds (distance) C4'-P energy: -95.728
bonds (distance) P-C4' energy: -113.990
flat angles C4'-P-C4' energy: -117.293
flat angles P-C4'-P energy: -67.304
tors. eta vs tors. theta energy: -145.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1732.925529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.925529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.925529 (E_RNA)
where:
Base-Base interactions energy: -1234.264
where: short stacking energy: -481.318
Base-Backbone interact. energy: -1.542
local terms energy: -497.119590
where:
bonds (distance) C4'-P energy: -100.670
bonds (distance) P-C4' energy: -100.035
flat angles C4'-P-C4' energy: -98.290
flat angles P-C4'-P energy: -78.847
tors. eta vs tors. theta energy: -119.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1668.910146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.910146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.910146 (E_RNA)
where:
Base-Base interactions energy: -1188.833
where: short stacking energy: -467.697
Base-Backbone interact. energy: -1.351
local terms energy: -478.726471
where:
bonds (distance) C4'-P energy: -87.524
bonds (distance) P-C4' energy: -94.001
flat angles C4'-P-C4' energy: -104.918
flat angles P-C4'-P energy: -72.678
tors. eta vs tors. theta energy: -119.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1589.149239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.149239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.149239 (E_RNA)
where:
Base-Base interactions energy: -1089.745
where: short stacking energy: -453.257
Base-Backbone interact. energy: -1.362
local terms energy: -498.042159
where:
bonds (distance) C4'-P energy: -100.671
bonds (distance) P-C4' energy: -98.883
flat angles C4'-P-C4' energy: -111.567
flat angles P-C4'-P energy: -61.898
tors. eta vs tors. theta energy: -125.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1389.454070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.454070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.454070 (E_RNA)
where:
Base-Base interactions energy: -929.059
where: short stacking energy: -416.736
Base-Backbone interact. energy: 3.868
local terms energy: -464.263003
where:
bonds (distance) C4'-P energy: -86.835
bonds (distance) P-C4' energy: -105.492
flat angles C4'-P-C4' energy: -103.397
flat angles P-C4'-P energy: -66.585
tors. eta vs tors. theta energy: -101.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1384.454945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.454945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.454945 (E_RNA)
where:
Base-Base interactions energy: -945.299
where: short stacking energy: -404.144
Base-Backbone interact. energy: -1.207
local terms energy: -437.948671
where:
bonds (distance) C4'-P energy: -82.354
bonds (distance) P-C4' energy: -94.980
flat angles C4'-P-C4' energy: -104.122
flat angles P-C4'-P energy: -59.789
tors. eta vs tors. theta energy: -96.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1199.458527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.458527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.458527 (E_RNA)
where:
Base-Base interactions energy: -783.739
where: short stacking energy: -358.469
Base-Backbone interact. energy: 2.334
local terms energy: -418.052771
where:
bonds (distance) C4'-P energy: -88.695
bonds (distance) P-C4' energy: -96.857
flat angles C4'-P-C4' energy: -93.793
flat angles P-C4'-P energy: -55.569
tors. eta vs tors. theta energy: -83.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -753.689778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.689778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.689778 (E_RNA)
where:
Base-Base interactions energy: -407.853
where: short stacking energy: -205.085
Base-Backbone interact. energy: 0.750
local terms energy: -346.586886
where:
bonds (distance) C4'-P energy: -95.050
bonds (distance) P-C4' energy: -101.386
flat angles C4'-P-C4' energy: -75.583
flat angles P-C4'-P energy: -47.429
tors. eta vs tors. theta energy: -27.139
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: 393
Temperature: 1.350000
Total energy: -621.305069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.305069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.305069 (E_RNA)
where:
Base-Base interactions energy: -338.741
where: short stacking energy: -163.630
Base-Backbone interact. energy: 4.960
local terms energy: -287.523201
where:
bonds (distance) C4'-P energy: -73.994
bonds (distance) P-C4' energy: -91.715
flat angles C4'-P-C4' energy: -86.319
flat angles P-C4'-P energy: -40.692
tors. eta vs tors. theta energy: 5.196
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: 3
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1805.048492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.048492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.048492 (E_RNA)
where:
Base-Base interactions energy: -1253.764
where: short stacking energy: -523.844
Base-Backbone interact. energy: -1.059
local terms energy: -550.224829
where:
bonds (distance) C4'-P energy: -103.525
bonds (distance) P-C4' energy: -109.939
flat angles C4'-P-C4' energy: -120.548
flat angles P-C4'-P energy: -77.907
tors. eta vs tors. theta energy: -138.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1809.916321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.916321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.916321 (E_RNA)
where:
Base-Base interactions energy: -1279.297
where: short stacking energy: -530.860
Base-Backbone interact. energy: -1.630
local terms energy: -528.988875
where:
bonds (distance) C4'-P energy: -100.668
bonds (distance) P-C4' energy: -90.741
flat angles C4'-P-C4' energy: -120.689
flat angles P-C4'-P energy: -62.974
tors. eta vs tors. theta energy: -153.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1753.525414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.525414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.525414 (E_RNA)
where:
Base-Base interactions energy: -1227.242
where: short stacking energy: -504.798
Base-Backbone interact. energy: 1.266
local terms energy: -527.548963
where:
bonds (distance) C4'-P energy: -99.904
bonds (distance) P-C4' energy: -97.132
flat angles C4'-P-C4' energy: -112.425
flat angles P-C4'-P energy: -74.768
tors. eta vs tors. theta energy: -143.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1702.539001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.539001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.539001 (E_RNA)
where:
Base-Base interactions energy: -1199.195
where: short stacking energy: -461.170
Base-Backbone interact. energy: 0.825
local terms energy: -504.169551
where:
bonds (distance) C4'-P energy: -85.939
bonds (distance) P-C4' energy: -105.724
flat angles C4'-P-C4' energy: -108.680
flat angles P-C4'-P energy: -80.219
tors. eta vs tors. theta energy: -123.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1617.957452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.957452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.957452 (E_RNA)
where:
Base-Base interactions energy: -1106.003
where: short stacking energy: -480.547
Base-Backbone interact. energy: -0.526
local terms energy: -511.428833
where:
bonds (distance) C4'-P energy: -94.740
bonds (distance) P-C4' energy: -109.622
flat angles C4'-P-C4' energy: -105.636
flat angles P-C4'-P energy: -59.859
tors. eta vs tors. theta energy: -141.571
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: 8
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1374.488551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.488551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.488551 (E_RNA)
where:
Base-Base interactions energy: -927.894
where: short stacking energy: -418.802
Base-Backbone interact. energy: -1.863
local terms energy: -444.731139
where:
bonds (distance) C4'-P energy: -83.961
bonds (distance) P-C4' energy: -101.609
flat angles C4'-P-C4' energy: -109.333
flat angles P-C4'-P energy: -46.855
tors. eta vs tors. theta energy: -102.973
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: 7, replica: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1310.919181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.919181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.919181 (E_RNA)
where:
Base-Base interactions energy: -878.776
where: short stacking energy: -370.173
Base-Backbone interact. energy: -0.109
local terms energy: -432.034259
where:
bonds (distance) C4'-P energy: -99.018
bonds (distance) P-C4' energy: -91.662
flat angles C4'-P-C4' energy: -92.575
flat angles P-C4'-P energy: -65.874
tors. eta vs tors. theta energy: -82.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1178.704107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.704107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.704107 (E_RNA)
where:
Base-Base interactions energy: -776.940
where: short stacking energy: -341.952
Base-Backbone interact. energy: -0.840
local terms energy: -400.924544
where:
bonds (distance) C4'-P energy: -78.317
bonds (distance) P-C4' energy: -81.363
flat angles C4'-P-C4' energy: -95.849
flat angles P-C4'-P energy: -57.832
tors. eta vs tors. theta energy: -87.564
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: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -790.682292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.682292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.682292 (E_RNA)
where:
Base-Base interactions energy: -440.488
where: short stacking energy: -214.278
Base-Backbone interact. energy: -1.272
local terms energy: -348.922173
where:
bonds (distance) C4'-P energy: -82.305
bonds (distance) P-C4' energy: -90.265
flat angles C4'-P-C4' energy: -97.954
flat angles P-C4'-P energy: -56.167
tors. eta vs tors. theta energy: -22.232
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: 394
Temperature: 1.350000
Total energy: -557.057635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.057635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.057635 (E_RNA)
where:
Base-Base interactions energy: -277.895
where: short stacking energy: -140.024
Base-Backbone interact. energy: 0.901
local terms energy: -280.063720
where:
bonds (distance) C4'-P energy: -83.806
bonds (distance) P-C4' energy: -93.436
flat angles C4'-P-C4' energy: -69.602
flat angles P-C4'-P energy: -44.169
tors. eta vs tors. theta energy: 10.950
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: 3
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1855.685270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.685270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.685270 (E_RNA)
where:
Base-Base interactions energy: -1292.093
where: short stacking energy: -568.256
Base-Backbone interact. energy: -1.065
local terms energy: -562.527235
where:
bonds (distance) C4'-P energy: -103.273
bonds (distance) P-C4' energy: -101.566
flat angles C4'-P-C4' energy: -123.265
flat angles P-C4'-P energy: -84.843
tors. eta vs tors. theta energy: -149.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1813.424950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.424950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.424950 (E_RNA)
where:
Base-Base interactions energy: -1268.042
where: short stacking energy: -541.524
Base-Backbone interact. energy: -2.641
local terms energy: -542.741942
where:
bonds (distance) C4'-P energy: -93.962
bonds (distance) P-C4' energy: -98.477
flat angles C4'-P-C4' energy: -123.866
flat angles P-C4'-P energy: -78.932
tors. eta vs tors. theta energy: -147.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1733.410563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.410563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.410563 (E_RNA)
where:
Base-Base interactions energy: -1195.317
where: short stacking energy: -520.810
Base-Backbone interact. energy: -2.195
local terms energy: -535.898532
where:
bonds (distance) C4'-P energy: -93.277
bonds (distance) P-C4' energy: -108.640
flat angles C4'-P-C4' energy: -109.105
flat angles P-C4'-P energy: -75.117
tors. eta vs tors. theta energy: -149.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1656.247946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.247946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.247946 (E_RNA)
where:
Base-Base interactions energy: -1162.177
where: short stacking energy: -504.858
Base-Backbone interact. energy: -1.729
local terms energy: -492.341423
where:
bonds (distance) C4'-P energy: -102.260
bonds (distance) P-C4' energy: -95.784
flat angles C4'-P-C4' energy: -96.600
flat angles P-C4'-P energy: -67.930
tors. eta vs tors. theta energy: -129.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1586.900730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.900730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.900730 (E_RNA)
where:
Base-Base interactions energy: -1089.267
where: short stacking energy: -467.016
Base-Backbone interact. energy: 1.019
local terms energy: -498.652937
where:
bonds (distance) C4'-P energy: -91.921
bonds (distance) P-C4' energy: -93.641
flat angles C4'-P-C4' energy: -116.817
flat angles P-C4'-P energy: -71.420
tors. eta vs tors. theta energy: -124.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1363.475755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.475755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.475755 (E_RNA)
where:
Base-Base interactions energy: -923.815
where: short stacking energy: -404.932
Base-Backbone interact. energy: 2.300
local terms energy: -441.960001
where:
bonds (distance) C4'-P energy: -97.032
bonds (distance) P-C4' energy: -93.565
flat angles C4'-P-C4' energy: -92.538
flat angles P-C4'-P energy: -66.033
tors. eta vs tors. theta energy: -92.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1341.255064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.255064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.255064 (E_RNA)
where:
Base-Base interactions energy: -889.127
where: short stacking energy: -361.499
Base-Backbone interact. energy: -2.699
local terms energy: -449.429003
where:
bonds (distance) C4'-P energy: -94.487
bonds (distance) P-C4' energy: -94.790
flat angles C4'-P-C4' energy: -105.425
flat angles P-C4'-P energy: -67.083
tors. eta vs tors. theta energy: -87.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1161.873897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.873897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.873897 (E_RNA)
where:
Base-Base interactions energy: -772.187
where: short stacking energy: -328.330
Base-Backbone interact. energy: -0.356
local terms energy: -389.331163
where:
bonds (distance) C4'-P energy: -70.580
bonds (distance) P-C4' energy: -95.000
flat angles C4'-P-C4' energy: -97.037
flat angles P-C4'-P energy: -50.429
tors. eta vs tors. theta energy: -76.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -787.594713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.594713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.594713 (E_RNA)
where:
Base-Base interactions energy: -464.698
where: short stacking energy: -221.561
Base-Backbone interact. energy: -2.119
local terms energy: -320.776985
where:
bonds (distance) C4'-P energy: -90.487
bonds (distance) P-C4' energy: -90.807
flat angles C4'-P-C4' energy: -69.794
flat angles P-C4'-P energy: -50.776
tors. eta vs tors. theta energy: -18.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -561.702974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.702974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.702974 (E_RNA)
where:
Base-Base interactions energy: -270.361
where: short stacking energy: -161.695
Base-Backbone interact. energy: 3.726
local terms energy: -295.068178
where:
bonds (distance) C4'-P energy: -84.959
bonds (distance) P-C4' energy: -91.224
flat angles C4'-P-C4' energy: -62.435
flat angles P-C4'-P energy: -49.123
tors. eta vs tors. theta energy: -7.327
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: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1845.814010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.814010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.814010 (E_RNA)
where:
Base-Base interactions energy: -1294.748
where: short stacking energy: -541.857
Base-Backbone interact. energy: -5.850
local terms energy: -545.216239
where:
bonds (distance) C4'-P energy: -95.187
bonds (distance) P-C4' energy: -100.438
flat angles C4'-P-C4' energy: -115.477
flat angles P-C4'-P energy: -85.633
tors. eta vs tors. theta energy: -148.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1843.604495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.604495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.604495 (E_RNA)
where:
Base-Base interactions energy: -1291.748
where: short stacking energy: -567.751
Base-Backbone interact. energy: -1.736
local terms energy: -550.120791
where:
bonds (distance) C4'-P energy: -105.557
bonds (distance) P-C4' energy: -99.614
flat angles C4'-P-C4' energy: -120.202
flat angles P-C4'-P energy: -77.844
tors. eta vs tors. theta energy: -146.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1717.407715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.407715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.407715 (E_RNA)
where:
Base-Base interactions energy: -1183.919
where: short stacking energy: -502.653
Base-Backbone interact. energy: -0.340
local terms energy: -533.148920
where:
bonds (distance) C4'-P energy: -98.715
bonds (distance) P-C4' energy: -97.078
flat angles C4'-P-C4' energy: -108.938
flat angles P-C4'-P energy: -83.074
tors. eta vs tors. theta energy: -145.345
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: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1660.132347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.132347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.132347 (E_RNA)
where:
Base-Base interactions energy: -1164.256
where: short stacking energy: -491.084
Base-Backbone interact. energy: 3.649
local terms energy: -499.525537
where:
bonds (distance) C4'-P energy: -84.679
bonds (distance) P-C4' energy: -98.909
flat angles C4'-P-C4' energy: -113.906
flat angles P-C4'-P energy: -71.432
tors. eta vs tors. theta energy: -130.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1569.752706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.752706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.752706 (E_RNA)
where:
Base-Base interactions energy: -1067.917
where: short stacking energy: -440.422
Base-Backbone interact. energy: -0.197
local terms energy: -501.639480
where:
bonds (distance) C4'-P energy: -96.394
bonds (distance) P-C4' energy: -99.036
flat angles C4'-P-C4' energy: -113.231
flat angles P-C4'-P energy: -62.839
tors. eta vs tors. theta energy: -130.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1357.181239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.181239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.181239 (E_RNA)
where:
Base-Base interactions energy: -935.516
where: short stacking energy: -396.448
Base-Backbone interact. energy: -0.818
local terms energy: -420.847190
where:
bonds (distance) C4'-P energy: -83.792
bonds (distance) P-C4' energy: -85.873
flat angles C4'-P-C4' energy: -101.904
flat angles P-C4'-P energy: -58.178
tors. eta vs tors. theta energy: -91.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1327.485318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.485318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.485318 (E_RNA)
where:
Base-Base interactions energy: -893.254
where: short stacking energy: -373.209
Base-Backbone interact. energy: -3.484
local terms energy: -430.747153
where:
bonds (distance) C4'-P energy: -81.765
bonds (distance) P-C4' energy: -89.191
flat angles C4'-P-C4' energy: -116.633
flat angles P-C4'-P energy: -57.187
tors. eta vs tors. theta energy: -85.971
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: 7
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1151.804367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.804367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.804367 (E_RNA)
where:
Base-Base interactions energy: -770.559
where: short stacking energy: -308.242
Base-Backbone interact. energy: 1.761
local terms energy: -383.006539
where:
bonds (distance) C4'-P energy: -78.165
bonds (distance) P-C4' energy: -92.331
flat angles C4'-P-C4' energy: -74.563
flat angles P-C4'-P energy: -63.132
tors. eta vs tors. theta energy: -74.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -760.243835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.243835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.243835 (E_RNA)
where:
Base-Base interactions energy: -444.986
where: short stacking energy: -211.710
Base-Backbone interact. energy: -0.785
local terms energy: -314.473387
where:
bonds (distance) C4'-P energy: -90.593
bonds (distance) P-C4' energy: -98.728
flat angles C4'-P-C4' energy: -73.286
flat angles P-C4'-P energy: -38.268
tors. eta vs tors. theta energy: -13.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -550.148367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.148367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.148367 (E_RNA)
where:
Base-Base interactions energy: -260.137
where: short stacking energy: -166.330
Base-Backbone interact. energy: 0.998
local terms energy: -291.009476
where:
bonds (distance) C4'-P energy: -75.789
bonds (distance) P-C4' energy: -87.841
flat angles C4'-P-C4' energy: -94.848
flat angles P-C4'-P energy: -40.424
tors. eta vs tors. theta energy: 7.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1885.765068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.765068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.765068 (E_RNA)
where:
Base-Base interactions energy: -1339.667
where: short stacking energy: -562.302
Base-Backbone interact. energy: -0.879
local terms energy: -545.218217
where:
bonds (distance) C4'-P energy: -99.505
bonds (distance) P-C4' energy: -90.410
flat angles C4'-P-C4' energy: -123.446
flat angles P-C4'-P energy: -77.650
tors. eta vs tors. theta energy: -154.209
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: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1792.010319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.010319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.010319 (E_RNA)
where:
Base-Base interactions energy: -1262.454
where: short stacking energy: -520.561
Base-Backbone interact. energy: 0.556
local terms energy: -530.111954
where:
bonds (distance) C4'-P energy: -99.344
bonds (distance) P-C4' energy: -99.305
flat angles C4'-P-C4' energy: -118.974
flat angles P-C4'-P energy: -56.016
tors. eta vs tors. theta energy: -156.473
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: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1741.487108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.487108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.487108 (E_RNA)
where:
Base-Base interactions energy: -1215.292
where: short stacking energy: -529.687
Base-Backbone interact. energy: -1.871
local terms energy: -524.324009
where:
bonds (distance) C4'-P energy: -85.496
bonds (distance) P-C4' energy: -103.229
flat angles C4'-P-C4' energy: -103.350
flat angles P-C4'-P energy: -82.376
tors. eta vs tors. theta energy: -149.872
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: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1648.524529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.524529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.524529 (E_RNA)
where:
Base-Base interactions energy: -1160.247
where: short stacking energy: -477.578
Base-Backbone interact. energy: -1.849
local terms energy: -486.429092
where:
bonds (distance) C4'-P energy: -86.885
bonds (distance) P-C4' energy: -89.074
flat angles C4'-P-C4' energy: -106.331
flat angles P-C4'-P energy: -73.795
tors. eta vs tors. theta energy: -130.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1553.026394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.026394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.026394 (E_RNA)
where:
Base-Base interactions energy: -1092.531
where: short stacking energy: -480.129
Base-Backbone interact. energy: -2.403
local terms energy: -458.093139
where:
bonds (distance) C4'-P energy: -85.761
bonds (distance) P-C4' energy: -74.885
flat angles C4'-P-C4' energy: -106.921
flat angles P-C4'-P energy: -58.666
tors. eta vs tors. theta energy: -131.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1419.366329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.366329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.366329 (E_RNA)
where:
Base-Base interactions energy: -953.421
where: short stacking energy: -408.610
Base-Backbone interact. energy: -1.973
local terms energy: -463.972377
where:
bonds (distance) C4'-P energy: -80.405
bonds (distance) P-C4' energy: -100.665
flat angles C4'-P-C4' energy: -107.930
flat angles P-C4'-P energy: -69.804
tors. eta vs tors. theta energy: -105.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1403.208014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.208014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.208014 (E_RNA)
where:
Base-Base interactions energy: -971.458
where: short stacking energy: -400.285
Base-Backbone interact. energy: -2.555
local terms energy: -429.194658
where:
bonds (distance) C4'-P energy: -66.728
bonds (distance) P-C4' energy: -102.101
flat angles C4'-P-C4' energy: -103.508
flat angles P-C4'-P energy: -67.544
tors. eta vs tors. theta energy: -89.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1155.603905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.603905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.603905 (E_RNA)
where:
Base-Base interactions energy: -775.458
where: short stacking energy: -332.211
Base-Backbone interact. energy: 0.222
local terms energy: -380.367759
where:
bonds (distance) C4'-P energy: -71.080
bonds (distance) P-C4' energy: -86.095
flat angles C4'-P-C4' energy: -92.767
flat angles P-C4'-P energy: -59.451
tors. eta vs tors. theta energy: -70.974
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: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -752.460364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.460364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.460364 (E_RNA)
where:
Base-Base interactions energy: -408.983
where: short stacking energy: -191.152
Base-Backbone interact. energy: -0.947
local terms energy: -342.529409
where:
bonds (distance) C4'-P energy: -101.084
bonds (distance) P-C4' energy: -99.807
flat angles C4'-P-C4' energy: -83.019
flat angles P-C4'-P energy: -48.934
tors. eta vs tors. theta energy: -9.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -545.553531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.553531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.553531 (E_RNA)
where:
Base-Base interactions energy: -266.368
where: short stacking energy: -173.532
Base-Backbone interact. energy: 4.626
local terms energy: -283.812105
where:
bonds (distance) C4'-P energy: -75.571
bonds (distance) P-C4' energy: -99.094
flat angles C4'-P-C4' energy: -75.925
flat angles P-C4'-P energy: -37.364
tors. eta vs tors. theta energy: 4.141
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: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1877.479817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.479817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.479817 (E_RNA)
where:
Base-Base interactions energy: -1328.773
where: short stacking energy: -567.879
Base-Backbone interact. energy: 0.197
local terms energy: -548.903889
where:
bonds (distance) C4'-P energy: -100.746
bonds (distance) P-C4' energy: -89.841
flat angles C4'-P-C4' energy: -124.880
flat angles P-C4'-P energy: -79.593
tors. eta vs tors. theta energy: -153.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1803.785726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.785726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.785726 (E_RNA)
where:
Base-Base interactions energy: -1231.657
where: short stacking energy: -516.565
Base-Backbone interact. energy: -4.057
local terms energy: -568.071793
where:
bonds (distance) C4'-P energy: -104.049
bonds (distance) P-C4' energy: -105.180
flat angles C4'-P-C4' energy: -122.485
flat angles P-C4'-P energy: -89.444
tors. eta vs tors. theta energy: -146.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1718.586644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.586644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.586644 (E_RNA)
where:
Base-Base interactions energy: -1182.302
where: short stacking energy: -496.874
Base-Backbone interact. energy: -0.981
local terms energy: -535.303189
where:
bonds (distance) C4'-P energy: -96.553
bonds (distance) P-C4' energy: -105.504
flat angles C4'-P-C4' energy: -109.487
flat angles P-C4'-P energy: -79.340
tors. eta vs tors. theta energy: -144.420
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: 4, replica: 1
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1617.760298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.760298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.760298 (E_RNA)
where:
Base-Base interactions energy: -1113.321
where: short stacking energy: -481.853
Base-Backbone interact. energy: -1.994
local terms energy: -502.444902
where:
bonds (distance) C4'-P energy: -98.765
bonds (distance) P-C4' energy: -102.344
flat angles C4'-P-C4' energy: -104.752
flat angles P-C4'-P energy: -70.585
tors. eta vs tors. theta energy: -125.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1527.065312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.065312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.065312 (E_RNA)
where:
Base-Base interactions energy: -1066.644
where: short stacking energy: -458.132
Base-Backbone interact. energy: -1.246
local terms energy: -459.175152
where:
bonds (distance) C4'-P energy: -86.687
bonds (distance) P-C4' energy: -80.870
flat angles C4'-P-C4' energy: -102.534
flat angles P-C4'-P energy: -68.165
tors. eta vs tors. theta energy: -120.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1425.945204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.945204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.945204 (E_RNA)
where:
Base-Base interactions energy: -956.353
where: short stacking energy: -404.536
Base-Backbone interact. energy: 0.478
local terms energy: -470.070227
where:
bonds (distance) C4'-P energy: -89.399
bonds (distance) P-C4' energy: -111.453
flat angles C4'-P-C4' energy: -104.175
flat angles P-C4'-P energy: -56.746
tors. eta vs tors. theta energy: -108.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1433.225737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.225737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.225737 (E_RNA)
where:
Base-Base interactions energy: -1015.063
where: short stacking energy: -410.674
Base-Backbone interact. energy: -1.878
local terms energy: -416.285496
where:
bonds (distance) C4'-P energy: -73.811
bonds (distance) P-C4' energy: -78.011
flat angles C4'-P-C4' energy: -100.435
flat angles P-C4'-P energy: -66.684
tors. eta vs tors. theta energy: -97.345
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: 398
Temperature: 1.250000
Total energy: -1212.841042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.841042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.841042 (E_RNA)
where:
Base-Base interactions energy: -827.107
where: short stacking energy: -365.396
Base-Backbone interact. energy: 0.958
local terms energy: -386.692316
where:
bonds (distance) C4'-P energy: -87.830
bonds (distance) P-C4' energy: -77.599
flat angles C4'-P-C4' energy: -83.884
flat angles P-C4'-P energy: -52.362
tors. eta vs tors. theta energy: -85.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -809.466479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.466479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.466479 (E_RNA)
where:
Base-Base interactions energy: -439.156
where: short stacking energy: -223.004
Base-Backbone interact. energy: -0.170
local terms energy: -370.140842
where:
bonds (distance) C4'-P energy: -94.700
bonds (distance) P-C4' energy: -92.891
flat angles C4'-P-C4' energy: -85.663
flat angles P-C4'-P energy: -60.895
tors. eta vs tors. theta energy: -35.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -576.053857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.053857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.053857 (E_RNA)
where:
Base-Base interactions energy: -303.888
where: short stacking energy: -161.054
Base-Backbone interact. energy: -2.199
local terms energy: -269.966601
where:
bonds (distance) C4'-P energy: -84.286
bonds (distance) P-C4' energy: -90.700
flat angles C4'-P-C4' energy: -61.230
flat angles P-C4'-P energy: -42.029
tors. eta vs tors. theta energy: 8.278
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: 399
Temperature: 0.900000
Total energy: -1894.185134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.185134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.185134 (E_RNA)
where:
Base-Base interactions energy: -1320.995
where: short stacking energy: -550.647
Base-Backbone interact. energy: -0.636
local terms energy: -572.554716
where:
bonds (distance) C4'-P energy: -104.240
bonds (distance) P-C4' energy: -106.299
flat angles C4'-P-C4' energy: -126.183
flat angles P-C4'-P energy: -72.853
tors. eta vs tors. theta energy: -162.980
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: 3
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1802.980036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.980036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.980036 (E_RNA)
where:
Base-Base interactions energy: -1249.097
where: short stacking energy: -520.825
Base-Backbone interact. energy: -3.256
local terms energy: -550.626423
where:
bonds (distance) C4'-P energy: -112.666
bonds (distance) P-C4' energy: -101.396
flat angles C4'-P-C4' energy: -113.969
flat angles P-C4'-P energy: -79.663
tors. eta vs tors. theta energy: -142.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1741.110847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.110847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.110847 (E_RNA)
where:
Base-Base interactions energy: -1239.837
where: short stacking energy: -523.530
Base-Backbone interact. energy: 0.867
local terms energy: -502.140854
where:
bonds (distance) C4'-P energy: -79.905
bonds (distance) P-C4' energy: -99.006
flat angles C4'-P-C4' energy: -110.023
flat angles P-C4'-P energy: -72.933
tors. eta vs tors. theta energy: -140.275
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: 1
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1623.988737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.988737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.988737 (E_RNA)
where:
Base-Base interactions energy: -1106.968
where: short stacking energy: -458.386
Base-Backbone interact. energy: -0.644
local terms energy: -516.376188
where:
bonds (distance) C4'-P energy: -110.263
bonds (distance) P-C4' energy: -99.542
flat angles C4'-P-C4' energy: -113.603
flat angles P-C4'-P energy: -68.617
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: 5, replica: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1521.187448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.187448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.187448 (E_RNA)
where:
Base-Base interactions energy: -1043.483
where: short stacking energy: -420.973
Base-Backbone interact. energy: 1.734
local terms energy: -479.437561
where:
bonds (distance) C4'-P energy: -105.141
bonds (distance) P-C4' energy: -85.865
flat angles C4'-P-C4' energy: -105.213
flat angles P-C4'-P energy: -70.311
tors. eta vs tors. theta energy: -112.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1472.217467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.217467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.217467 (E_RNA)
where:
Base-Base interactions energy: -1026.896
where: short stacking energy: -429.934
Base-Backbone interact. energy: 0.296
local terms energy: -445.617209
where:
bonds (distance) C4'-P energy: -80.321
bonds (distance) P-C4' energy: -92.042
flat angles C4'-P-C4' energy: -102.013
flat angles P-C4'-P energy: -65.702
tors. eta vs tors. theta energy: -105.539
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: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1375.836688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.836688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.836688 (E_RNA)
where:
Base-Base interactions energy: -929.692
where: short stacking energy: -391.642
Base-Backbone interact. energy: -1.272
local terms energy: -444.872884
where:
bonds (distance) C4'-P energy: -88.854
bonds (distance) P-C4' energy: -99.321
flat angles C4'-P-C4' energy: -100.405
flat angles P-C4'-P energy: -61.361
tors. eta vs tors. theta energy: -94.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1196.047624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.047624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.047624 (E_RNA)
where:
Base-Base interactions energy: -788.455
where: short stacking energy: -351.895
Base-Backbone interact. energy: 0.262
local terms energy: -407.854845
where:
bonds (distance) C4'-P energy: -93.281
bonds (distance) P-C4' energy: -80.347
flat angles C4'-P-C4' energy: -91.494
flat angles P-C4'-P energy: -59.779
tors. eta vs tors. theta energy: -82.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -789.219919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.219919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.219919 (E_RNA)
where:
Base-Base interactions energy: -493.278
where: short stacking energy: -239.934
Base-Backbone interact. energy: 0.172
local terms energy: -296.113859
where:
bonds (distance) C4'-P energy: -72.206
bonds (distance) P-C4' energy: -70.967
flat angles C4'-P-C4' energy: -72.462
flat angles P-C4'-P energy: -66.704
tors. eta vs tors. theta energy: -13.774
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: 399
Temperature: 1.350000
Total energy: -576.495339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.495339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.495339 (E_RNA)
where:
Base-Base interactions energy: -302.845
where: short stacking energy: -160.715
Base-Backbone interact. energy: 0.865
local terms energy: -274.515246
where:
bonds (distance) C4'-P energy: -72.843
bonds (distance) P-C4' energy: -94.998
flat angles C4'-P-C4' energy: -72.583
flat angles P-C4'-P energy: -34.391
tors. eta vs tors. theta energy: 0.300
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: 400
Temperature: 0.900000
Total energy: -1887.775825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.775825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.775825 (E_RNA)
where:
Base-Base interactions energy: -1309.999
where: short stacking energy: -550.509
Base-Backbone interact. energy: -3.912
local terms energy: -573.865172
where:
bonds (distance) C4'-P energy: -116.781
bonds (distance) P-C4' energy: -91.079
flat angles C4'-P-C4' energy: -119.925
flat angles P-C4'-P energy: -92.292
tors. eta vs tors. theta energy: -153.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1796.133657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.133657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.133657 (E_RNA)
where:
Base-Base interactions energy: -1257.301
where: short stacking energy: -534.196
Base-Backbone interact. energy: -2.619
local terms energy: -536.214190
where:
bonds (distance) C4'-P energy: -106.747
bonds (distance) P-C4' energy: -93.610
flat angles C4'-P-C4' energy: -114.943
flat angles P-C4'-P energy: -79.516
tors. eta vs tors. theta energy: -141.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1721.164380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.164380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.164380 (E_RNA)
where:
Base-Base interactions energy: -1223.679
where: short stacking energy: -514.296
Base-Backbone interact. energy: -1.340
local terms energy: -496.145190
where:
bonds (distance) C4'-P energy: -89.024
bonds (distance) P-C4' energy: -96.982
flat angles C4'-P-C4' energy: -105.742
flat angles P-C4'-P energy: -66.775
tors. eta vs tors. theta energy: -137.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1639.177648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.177648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.177648 (E_RNA)
where:
Base-Base interactions energy: -1143.197
where: short stacking energy: -487.297
Base-Backbone interact. energy: -1.894
local terms energy: -494.087236
where:
bonds (distance) C4'-P energy: -92.361
bonds (distance) P-C4' energy: -92.922
flat angles C4'-P-C4' energy: -100.722
flat angles P-C4'-P energy: -74.636
tors. eta vs tors. theta energy: -133.445
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: 5, replica: 4
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1507.406257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.406257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.406257 (E_RNA)
where:
Base-Base interactions energy: -1035.434
where: short stacking energy: -436.117
Base-Backbone interact. energy: 0.837
local terms energy: -472.808610
where:
bonds (distance) C4'-P energy: -85.511
bonds (distance) P-C4' energy: -89.855
flat angles C4'-P-C4' energy: -120.506
flat angles P-C4'-P energy: -66.412
tors. eta vs tors. theta energy: -110.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1548.809492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.809492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.809492 (E_RNA)
where:
Base-Base interactions energy: -1078.971
where: short stacking energy: -465.528
Base-Backbone interact. energy: -0.499
local terms energy: -469.339187
where:
bonds (distance) C4'-P energy: -83.775
bonds (distance) P-C4' energy: -81.106
flat angles C4'-P-C4' energy: -113.507
flat angles P-C4'-P energy: -65.712
tors. eta vs tors. theta energy: -125.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1336.278871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.278871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.278871 (E_RNA)
where:
Base-Base interactions energy: -916.982
where: short stacking energy: -399.103
Base-Backbone interact. energy: 0.702
local terms energy: -419.998857
where:
bonds (distance) C4'-P energy: -91.111
bonds (distance) P-C4' energy: -84.086
flat angles C4'-P-C4' energy: -93.512
flat angles P-C4'-P energy: -48.506
tors. eta vs tors. theta energy: -102.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1134.065347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.065347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.065347 (E_RNA)
where:
Base-Base interactions energy: -725.563
where: short stacking energy: -317.415
Base-Backbone interact. energy: -0.360
local terms energy: -408.142547
where:
bonds (distance) C4'-P energy: -86.271
bonds (distance) P-C4' energy: -86.907
flat angles C4'-P-C4' energy: -101.850
flat angles P-C4'-P energy: -53.961
tors. eta vs tors. theta energy: -79.153
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: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -765.720849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.720849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.720849 (E_RNA)
where:
Base-Base interactions energy: -458.177
where: short stacking energy: -224.237
Base-Backbone interact. energy: 0.904
local terms energy: -308.448021
where:
bonds (distance) C4'-P energy: -69.393
bonds (distance) P-C4' energy: -87.533
flat angles C4'-P-C4' energy: -89.731
flat angles P-C4'-P energy: -47.982
tors. eta vs tors. theta energy: -13.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -543.357815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.357815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.357815 (E_RNA)
where:
Base-Base interactions energy: -252.987
where: short stacking energy: -169.192
Base-Backbone interact. energy: -2.888
local terms energy: -287.482422
where:
bonds (distance) C4'-P energy: -82.244
bonds (distance) P-C4' energy: -82.913
flat angles C4'-P-C4' energy: -71.144
flat angles P-C4'-P energy: -36.492
tors. eta vs tors. theta energy: -14.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1899.253716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.253716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.253716 (E_RNA)
where:
Base-Base interactions energy: -1323.660
where: short stacking energy: -552.044
Base-Backbone interact. energy: -2.777
local terms energy: -572.817122
where:
bonds (distance) C4'-P energy: -101.426
bonds (distance) P-C4' energy: -108.847
flat angles C4'-P-C4' energy: -125.019
flat angles P-C4'-P energy: -76.691
tors. eta vs tors. theta energy: -160.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1779.264887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.264887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.264887 (E_RNA)
where:
Base-Base interactions energy: -1244.183
where: short stacking energy: -536.660
Base-Backbone interact. energy: -1.729
local terms energy: -533.352914
where:
bonds (distance) C4'-P energy: -92.979
bonds (distance) P-C4' energy: -101.627
flat angles C4'-P-C4' energy: -110.885
flat angles P-C4'-P energy: -77.923
tors. eta vs tors. theta energy: -149.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1711.909057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.909057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.909057 (E_RNA)
where:
Base-Base interactions energy: -1198.055
where: short stacking energy: -491.429
Base-Backbone interact. energy: -2.211
local terms energy: -511.643275
where:
bonds (distance) C4'-P energy: -80.883
bonds (distance) P-C4' energy: -110.426
flat angles C4'-P-C4' energy: -104.138
flat angles P-C4'-P energy: -83.599
tors. eta vs tors. theta energy: -132.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1631.719002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.719002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.719002 (E_RNA)
where:
Base-Base interactions energy: -1137.717
where: short stacking energy: -506.332
Base-Backbone interact. energy: -2.121
local terms energy: -491.881380
where:
bonds (distance) C4'-P energy: -85.135
bonds (distance) P-C4' energy: -93.927
flat angles C4'-P-C4' energy: -103.813
flat angles P-C4'-P energy: -75.126
tors. eta vs tors. theta energy: -133.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1545.974941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.974941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.974941 (E_RNA)
where:
Base-Base interactions energy: -1080.569
where: short stacking energy: -462.384
Base-Backbone interact. energy: -3.370
local terms energy: -462.036498
where:
bonds (distance) C4'-P energy: -81.632
bonds (distance) P-C4' energy: -90.345
flat angles C4'-P-C4' energy: -100.399
flat angles P-C4'-P energy: -68.402
tors. eta vs tors. theta energy: -121.259
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: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1485.042439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.042439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.042439 (E_RNA)
where:
Base-Base interactions energy: -1001.757
where: short stacking energy: -454.818
Base-Backbone interact. energy: -1.385
local terms energy: -481.900032
where:
bonds (distance) C4'-P energy: -90.172
bonds (distance) P-C4' energy: -98.036
flat angles C4'-P-C4' energy: -98.970
flat angles P-C4'-P energy: -68.540
tors. eta vs tors. theta energy: -126.181
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: 7, replica: 8
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1278.293592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.293592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.293592 (E_RNA)
where:
Base-Base interactions energy: -856.323
where: short stacking energy: -359.053
Base-Backbone interact. energy: 0.487
local terms energy: -422.457631
where:
bonds (distance) C4'-P energy: -91.080
bonds (distance) P-C4' energy: -90.504
flat angles C4'-P-C4' energy: -90.010
flat angles P-C4'-P energy: -54.873
tors. eta vs tors. theta energy: -95.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1143.024971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.024971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.024971 (E_RNA)
where:
Base-Base interactions energy: -755.906
where: short stacking energy: -327.415
Base-Backbone interact. energy: -1.618
local terms energy: -385.501058
where:
bonds (distance) C4'-P energy: -84.083
bonds (distance) P-C4' energy: -100.431
flat angles C4'-P-C4' energy: -79.006
flat angles P-C4'-P energy: -53.105
tors. eta vs tors. theta energy: -68.876
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: 9, replica: 9
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -771.581659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.581659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.581659 (E_RNA)
where:
Base-Base interactions energy: -461.777
where: short stacking energy: -218.544
Base-Backbone interact. energy: 0.147
local terms energy: -309.951684
where:
bonds (distance) C4'-P energy: -83.354
bonds (distance) P-C4' energy: -72.451
flat angles C4'-P-C4' energy: -87.747
flat angles P-C4'-P energy: -51.597
tors. eta vs tors. theta energy: -14.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -566.439886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.439886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.439886 (E_RNA)
where:
Base-Base interactions energy: -282.564
where: short stacking energy: -162.237
Base-Backbone interact. energy: 5.589
local terms energy: -289.464993
where:
bonds (distance) C4'-P energy: -92.951
bonds (distance) P-C4' energy: -95.752
flat angles C4'-P-C4' energy: -76.269
flat angles P-C4'-P energy: -39.548
tors. eta vs tors. theta energy: 15.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1872.463751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.463751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.463751 (E_RNA)
where:
Base-Base interactions energy: -1314.212
where: short stacking energy: -558.996
Base-Backbone interact. energy: -6.047
local terms energy: -552.204992
where:
bonds (distance) C4'-P energy: -99.568
bonds (distance) P-C4' energy: -98.312
flat angles C4'-P-C4' energy: -118.269
flat angles P-C4'-P energy: -72.612
tors. eta vs tors. theta energy: -163.444
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: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1783.003521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.003521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.003521 (E_RNA)
where:
Base-Base interactions energy: -1245.469
where: short stacking energy: -511.630
Base-Backbone interact. energy: -1.272
local terms energy: -536.262354
where:
bonds (distance) C4'-P energy: -95.628
bonds (distance) P-C4' energy: -95.735
flat angles C4'-P-C4' energy: -111.923
flat angles P-C4'-P energy: -92.824
tors. eta vs tors. theta energy: -140.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1681.248126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.248126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.248126 (E_RNA)
where:
Base-Base interactions energy: -1181.152
where: short stacking energy: -486.753
Base-Backbone interact. energy: -3.644
local terms energy: -496.452236
where:
bonds (distance) C4'-P energy: -75.654
bonds (distance) P-C4' energy: -97.072
flat angles C4'-P-C4' energy: -112.988
flat angles P-C4'-P energy: -83.248
tors. eta vs tors. theta energy: -127.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1631.150682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.150682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.150682 (E_RNA)
where:
Base-Base interactions energy: -1147.518
where: short stacking energy: -492.670
Base-Backbone interact. energy: -0.105
local terms energy: -483.528143
where:
bonds (distance) C4'-P energy: -86.107
bonds (distance) P-C4' energy: -90.015
flat angles C4'-P-C4' energy: -107.983
flat angles P-C4'-P energy: -77.195
tors. eta vs tors. theta energy: -122.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1545.172808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.172808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.172808 (E_RNA)
where:
Base-Base interactions energy: -1059.094
where: short stacking energy: -431.864
Base-Backbone interact. energy: -1.309
local terms energy: -484.769492
where:
bonds (distance) C4'-P energy: -102.065
bonds (distance) P-C4' energy: -95.205
flat angles C4'-P-C4' energy: -111.683
flat angles P-C4'-P energy: -63.967
tors. eta vs tors. theta energy: -111.849
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: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1503.841765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.841765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.841765 (E_RNA)
where:
Base-Base interactions energy: -1021.824
where: short stacking energy: -430.349
Base-Backbone interact. energy: -1.968
local terms energy: -480.050197
where:
bonds (distance) C4'-P energy: -79.536
bonds (distance) P-C4' energy: -89.506
flat angles C4'-P-C4' energy: -109.181
flat angles P-C4'-P energy: -78.519
tors. eta vs tors. theta energy: -123.309
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: 7, replica: 8
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1338.937457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.937457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.937457 (E_RNA)
where:
Base-Base interactions energy: -926.643
where: short stacking energy: -401.994
Base-Backbone interact. energy: -0.866
local terms energy: -411.428852
where:
bonds (distance) C4'-P energy: -84.756
bonds (distance) P-C4' energy: -80.965
flat angles C4'-P-C4' energy: -100.128
flat angles P-C4'-P energy: -60.470
tors. eta vs tors. theta energy: -85.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1178.654441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.654441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.654441 (E_RNA)
where:
Base-Base interactions energy: -775.824
where: short stacking energy: -337.791
Base-Backbone interact. energy: 3.744
local terms energy: -406.574639
where:
bonds (distance) C4'-P energy: -82.235
bonds (distance) P-C4' energy: -92.160
flat angles C4'-P-C4' energy: -81.576
flat angles P-C4'-P energy: -67.405
tors. eta vs tors. theta energy: -83.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -793.181819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.181819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.181819 (E_RNA)
where:
Base-Base interactions energy: -454.118
where: short stacking energy: -221.584
Base-Backbone interact. energy: -2.676
local terms energy: -336.388114
where:
bonds (distance) C4'-P energy: -92.089
bonds (distance) P-C4' energy: -94.184
flat angles C4'-P-C4' energy: -81.418
flat angles P-C4'-P energy: -60.472
tors. eta vs tors. theta energy: -8.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -528.034920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.034920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.034920 (E_RNA)
where:
Base-Base interactions energy: -246.033
where: short stacking energy: -149.906
Base-Backbone interact. energy: -1.405
local terms energy: -280.596604
where:
bonds (distance) C4'-P energy: -73.776
bonds (distance) P-C4' energy: -89.971
flat angles C4'-P-C4' energy: -64.374
flat angles P-C4'-P energy: -57.597
tors. eta vs tors. theta energy: 5.121
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: 403
Temperature: 0.900000
Total energy: -1903.531034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.531034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.531034 (E_RNA)
where:
Base-Base interactions energy: -1323.008
where: short stacking energy: -566.456
Base-Backbone interact. energy: -2.591
local terms energy: -577.931847
where:
bonds (distance) C4'-P energy: -106.139
bonds (distance) P-C4' energy: -110.781
flat angles C4'-P-C4' energy: -121.905
flat angles P-C4'-P energy: -85.429
tors. eta vs tors. theta energy: -153.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1782.826330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.826330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.826330 (E_RNA)
where:
Base-Base interactions energy: -1235.793
where: short stacking energy: -510.464
Base-Backbone interact. energy: -0.961
local terms energy: -546.072417
where:
bonds (distance) C4'-P energy: -99.154
bonds (distance) P-C4' energy: -106.945
flat angles C4'-P-C4' energy: -113.540
flat angles P-C4'-P energy: -86.393
tors. eta vs tors. theta energy: -140.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1712.895037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.895037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.895037 (E_RNA)
where:
Base-Base interactions energy: -1180.185
where: short stacking energy: -481.339
Base-Backbone interact. energy: -6.420
local terms energy: -526.289810
where:
bonds (distance) C4'-P energy: -100.065
bonds (distance) P-C4' energy: -102.710
flat angles C4'-P-C4' energy: -108.569
flat angles P-C4'-P energy: -80.011
tors. eta vs tors. theta energy: -134.935
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: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1599.745428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.745428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.745428 (E_RNA)
where:
Base-Base interactions energy: -1113.105
where: short stacking energy: -466.443
Base-Backbone interact. energy: -0.865
local terms energy: -485.775317
where:
bonds (distance) C4'-P energy: -100.167
bonds (distance) P-C4' energy: -80.850
flat angles C4'-P-C4' energy: -110.612
flat angles P-C4'-P energy: -65.332
tors. eta vs tors. theta energy: -128.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1531.114829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.114829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.114829 (E_RNA)
where:
Base-Base interactions energy: -1069.209
where: short stacking energy: -437.980
Base-Backbone interact. energy: -2.384
local terms energy: -459.521962
where:
bonds (distance) C4'-P energy: -82.324
bonds (distance) P-C4' energy: -92.033
flat angles C4'-P-C4' energy: -111.189
flat angles P-C4'-P energy: -60.770
tors. eta vs tors. theta energy: -113.206
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: 6
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1470.230154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.230154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.230154 (E_RNA)
where:
Base-Base interactions energy: -997.267
where: short stacking energy: -421.013
Base-Backbone interact. energy: -3.051
local terms energy: -469.912591
where:
bonds (distance) C4'-P energy: -86.309
bonds (distance) P-C4' energy: -95.686
flat angles C4'-P-C4' energy: -109.759
flat angles P-C4'-P energy: -67.889
tors. eta vs tors. theta energy: -110.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1283.328205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.328205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.328205 (E_RNA)
where:
Base-Base interactions energy: -870.056
where: short stacking energy: -373.579
Base-Backbone interact. energy: -0.277
local terms energy: -412.995228
where:
bonds (distance) C4'-P energy: -75.518
bonds (distance) P-C4' energy: -80.200
flat angles C4'-P-C4' energy: -98.056
flat angles P-C4'-P energy: -63.565
tors. eta vs tors. theta energy: -95.658
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: 403
Temperature: 1.250000
Total energy: -1189.634275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.634275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.634275 (E_RNA)
where:
Base-Base interactions energy: -785.388
where: short stacking energy: -324.761
Base-Backbone interact. energy: 2.283
local terms energy: -406.529255
where:
bonds (distance) C4'-P energy: -80.062
bonds (distance) P-C4' energy: -93.672
flat angles C4'-P-C4' energy: -91.953
flat angles P-C4'-P energy: -74.684
tors. eta vs tors. theta energy: -66.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -777.375618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.375618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.375618 (E_RNA)
where:
Base-Base interactions energy: -444.086
where: short stacking energy: -208.100
Base-Backbone interact. energy: 2.724
local terms energy: -336.013732
where:
bonds (distance) C4'-P energy: -91.341
bonds (distance) P-C4' energy: -82.243
flat angles C4'-P-C4' energy: -95.154
flat angles P-C4'-P energy: -45.489
tors. eta vs tors. theta energy: -21.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -544.336461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.336461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.336461 (E_RNA)
where:
Base-Base interactions energy: -286.626
where: short stacking energy: -161.536
Base-Backbone interact. energy: -2.308
local terms energy: -255.402646
where:
bonds (distance) C4'-P energy: -70.554
bonds (distance) P-C4' energy: -79.869
flat angles C4'-P-C4' energy: -82.730
flat angles P-C4'-P energy: -32.475
tors. eta vs tors. theta energy: 10.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1928.670297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.670297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.670297 (E_RNA)
where:
Base-Base interactions energy: -1355.241
where: short stacking energy: -586.128
Base-Backbone interact. energy: -2.182
local terms energy: -571.247025
where:
bonds (distance) C4'-P energy: -101.340
bonds (distance) P-C4' energy: -108.702
flat angles C4'-P-C4' energy: -123.225
flat angles P-C4'-P energy: -74.155
tors. eta vs tors. theta energy: -163.825
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: 3
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1817.791303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.791303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.791303 (E_RNA)
where:
Base-Base interactions energy: -1254.233
where: short stacking energy: -533.999
Base-Backbone interact. energy: -3.431
local terms energy: -560.128064
where:
bonds (distance) C4'-P energy: -101.202
bonds (distance) P-C4' energy: -100.793
flat angles C4'-P-C4' energy: -128.412
flat angles P-C4'-P energy: -70.920
tors. eta vs tors. theta energy: -158.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1693.817270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.817270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.817270 (E_RNA)
where:
Base-Base interactions energy: -1173.809
where: short stacking energy: -480.372
Base-Backbone interact. energy: -3.277
local terms energy: -516.731490
where:
bonds (distance) C4'-P energy: -86.052
bonds (distance) P-C4' energy: -111.596
flat angles C4'-P-C4' energy: -109.340
flat angles P-C4'-P energy: -74.563
tors. eta vs tors. theta energy: -135.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1628.824530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.824530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.824530 (E_RNA)
where:
Base-Base interactions energy: -1118.179
where: short stacking energy: -490.969
Base-Backbone interact. energy: -1.078
local terms energy: -509.567369
where:
bonds (distance) C4'-P energy: -91.587
bonds (distance) P-C4' energy: -91.043
flat angles C4'-P-C4' energy: -113.767
flat angles P-C4'-P energy: -82.068
tors. eta vs tors. theta energy: -131.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1528.973369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.973369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.973369 (E_RNA)
where:
Base-Base interactions energy: -1045.885
where: short stacking energy: -438.620
Base-Backbone interact. energy: -4.495
local terms energy: -478.593900
where:
bonds (distance) C4'-P energy: -87.853
bonds (distance) P-C4' energy: -104.074
flat angles C4'-P-C4' energy: -102.144
flat angles P-C4'-P energy: -81.774
tors. eta vs tors. theta energy: -102.749
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: 6
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1505.682485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.682485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.682485 (E_RNA)
where:
Base-Base interactions energy: -1046.656
where: short stacking energy: -429.654
Base-Backbone interact. energy: -2.210
local terms energy: -456.816775
where:
bonds (distance) C4'-P energy: -83.645
bonds (distance) P-C4' energy: -87.257
flat angles C4'-P-C4' energy: -95.352
flat angles P-C4'-P energy: -66.585
tors. eta vs tors. theta energy: -123.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1292.969620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.969620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.969620 (E_RNA)
where:
Base-Base interactions energy: -882.633
where: short stacking energy: -390.243
Base-Backbone interact. energy: -0.585
local terms energy: -409.751361
where:
bonds (distance) C4'-P energy: -81.514
bonds (distance) P-C4' energy: -81.013
flat angles C4'-P-C4' energy: -91.210
flat angles P-C4'-P energy: -62.443
tors. eta vs tors. theta energy: -93.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1172.500937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.500937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.500937 (E_RNA)
where:
Base-Base interactions energy: -775.736
where: short stacking energy: -340.552
Base-Backbone interact. energy: -0.494
local terms energy: -396.270758
where:
bonds (distance) C4'-P energy: -93.117
bonds (distance) P-C4' energy: -87.261
flat angles C4'-P-C4' energy: -90.904
flat angles P-C4'-P energy: -59.287
tors. eta vs tors. theta energy: -65.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -727.443053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.443053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.443053 (E_RNA)
where:
Base-Base interactions energy: -415.143
where: short stacking energy: -193.321
Base-Backbone interact. energy: 2.211
local terms energy: -314.510872
where:
bonds (distance) C4'-P energy: -85.076
bonds (distance) P-C4' energy: -89.253
flat angles C4'-P-C4' energy: -67.871
flat angles P-C4'-P energy: -46.364
tors. eta vs tors. theta energy: -25.947
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: 404
Temperature: 1.350000
Total energy: -562.251516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.251516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.251516 (E_RNA)
where:
Base-Base interactions energy: -276.654
where: short stacking energy: -166.788
Base-Backbone interact. energy: -1.537
local terms energy: -284.060897
where:
bonds (distance) C4'-P energy: -80.978
bonds (distance) P-C4' energy: -98.415
flat angles C4'-P-C4' energy: -71.224
flat angles P-C4'-P energy: -36.456
tors. eta vs tors. theta energy: 3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1939.279968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.279968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.279968 (E_RNA)
where:
Base-Base interactions energy: -1341.213
where: short stacking energy: -568.643
Base-Backbone interact. energy: -3.246
local terms energy: -594.821009
where:
bonds (distance) C4'-P energy: -101.345
bonds (distance) P-C4' energy: -107.938
flat angles C4'-P-C4' energy: -126.708
flat angles P-C4'-P energy: -91.815
tors. eta vs tors. theta energy: -167.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1792.295506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.295506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.295506 (E_RNA)
where:
Base-Base interactions energy: -1256.084
where: short stacking energy: -546.980
Base-Backbone interact. energy: 1.027
local terms energy: -537.238128
where:
bonds (distance) C4'-P energy: -83.562
bonds (distance) P-C4' energy: -98.633
flat angles C4'-P-C4' energy: -121.443
flat angles P-C4'-P energy: -80.559
tors. eta vs tors. theta energy: -153.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1737.434700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.434700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.434700 (E_RNA)
where:
Base-Base interactions energy: -1203.930
where: short stacking energy: -510.554
Base-Backbone interact. energy: -3.247
local terms energy: -530.257848
where:
bonds (distance) C4'-P energy: -99.755
bonds (distance) P-C4' energy: -100.436
flat angles C4'-P-C4' energy: -110.347
flat angles P-C4'-P energy: -77.204
tors. eta vs tors. theta energy: -142.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1642.204513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.204513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.204513 (E_RNA)
where:
Base-Base interactions energy: -1138.046
where: short stacking energy: -468.495
Base-Backbone interact. energy: -3.932
local terms energy: -500.226102
where:
bonds (distance) C4'-P energy: -91.208
bonds (distance) P-C4' energy: -95.616
flat angles C4'-P-C4' energy: -115.508
flat angles P-C4'-P energy: -70.367
tors. eta vs tors. theta energy: -127.526
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: 5, replica: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1538.435512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.435512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.435512 (E_RNA)
where:
Base-Base interactions energy: -1038.783
where: short stacking energy: -443.896
Base-Backbone interact. energy: -3.296
local terms energy: -496.356726
where:
bonds (distance) C4'-P energy: -93.581
bonds (distance) P-C4' energy: -93.072
flat angles C4'-P-C4' energy: -111.442
flat angles P-C4'-P energy: -74.018
tors. eta vs tors. theta energy: -124.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1528.600128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.600128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.600128 (E_RNA)
where:
Base-Base interactions energy: -1066.085
where: short stacking energy: -466.069
Base-Backbone interact. energy: 0.439
local terms energy: -462.953688
where:
bonds (distance) C4'-P energy: -83.580
bonds (distance) P-C4' energy: -79.383
flat angles C4'-P-C4' energy: -98.228
flat angles P-C4'-P energy: -75.724
tors. eta vs tors. theta energy: -126.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1284.014268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.014268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.014268 (E_RNA)
where:
Base-Base interactions energy: -863.805
where: short stacking energy: -368.893
Base-Backbone interact. energy: -1.215
local terms energy: -418.994460
where:
bonds (distance) C4'-P energy: -86.479
bonds (distance) P-C4' energy: -91.387
flat angles C4'-P-C4' energy: -86.348
flat angles P-C4'-P energy: -70.635
tors. eta vs tors. theta energy: -84.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1211.293621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.293621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.293621 (E_RNA)
where:
Base-Base interactions energy: -816.794
where: short stacking energy: -375.103
Base-Backbone interact. energy: 0.950
local terms energy: -395.448899
where:
bonds (distance) C4'-P energy: -81.217
bonds (distance) P-C4' energy: -97.963
flat angles C4'-P-C4' energy: -85.792
flat angles P-C4'-P energy: -57.400
tors. eta vs tors. theta energy: -73.077
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: 9
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -718.720164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.720164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.720164 (E_RNA)
where:
Base-Base interactions energy: -409.081
where: short stacking energy: -204.689
Base-Backbone interact. energy: -1.289
local terms energy: -308.349805
where:
bonds (distance) C4'-P energy: -88.476
bonds (distance) P-C4' energy: -85.716
flat angles C4'-P-C4' energy: -68.553
flat angles P-C4'-P energy: -54.019
tors. eta vs tors. theta energy: -11.585
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: 405
Temperature: 1.350000
Total energy: -530.278857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.278857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.278857 (E_RNA)
where:
Base-Base interactions energy: -223.073
where: short stacking energy: -144.119
Base-Backbone interact. energy: 1.625
local terms energy: -308.830841
where:
bonds (distance) C4'-P energy: -96.867
bonds (distance) P-C4' energy: -92.434
flat angles C4'-P-C4' energy: -82.916
flat angles P-C4'-P energy: -38.006
tors. eta vs tors. theta energy: 1.393
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: 406
Temperature: 0.900000
Total energy: -1907.327251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.327251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.327251 (E_RNA)
where:
Base-Base interactions energy: -1337.276
where: short stacking energy: -567.109
Base-Backbone interact. energy: -1.671
local terms energy: -568.380225
where:
bonds (distance) C4'-P energy: -101.310
bonds (distance) P-C4' energy: -99.417
flat angles C4'-P-C4' energy: -123.587
flat angles P-C4'-P energy: -84.923
tors. eta vs tors. theta energy: -159.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1801.417805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.417805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.417805 (E_RNA)
where:
Base-Base interactions energy: -1268.657
where: short stacking energy: -529.240
Base-Backbone interact. energy: -1.896
local terms energy: -530.865497
where:
bonds (distance) C4'-P energy: -100.120
bonds (distance) P-C4' energy: -88.084
flat angles C4'-P-C4' energy: -115.886
flat angles P-C4'-P energy: -79.096
tors. eta vs tors. theta energy: -147.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1707.507125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.507125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.507125 (E_RNA)
where:
Base-Base interactions energy: -1207.331
where: short stacking energy: -494.871
Base-Backbone interact. energy: -2.161
local terms energy: -498.015330
where:
bonds (distance) C4'-P energy: -80.778
bonds (distance) P-C4' energy: -98.692
flat angles C4'-P-C4' energy: -112.982
flat angles P-C4'-P energy: -65.111
tors. eta vs tors. theta energy: -140.453
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: 1
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1640.895775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.895775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.895775 (E_RNA)
where:
Base-Base interactions energy: -1123.327
where: short stacking energy: -446.246
Base-Backbone interact. energy: -2.327
local terms energy: -515.241152
where:
bonds (distance) C4'-P energy: -110.074
bonds (distance) P-C4' energy: -81.588
flat angles C4'-P-C4' energy: -114.786
flat angles P-C4'-P energy: -79.406
tors. eta vs tors. theta energy: -129.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1529.659732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.659732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.659732 (E_RNA)
where:
Base-Base interactions energy: -1060.317
where: short stacking energy: -440.152
Base-Backbone interact. energy: -0.521
local terms energy: -468.821998
where:
bonds (distance) C4'-P energy: -84.253
bonds (distance) P-C4' energy: -86.074
flat angles C4'-P-C4' energy: -112.777
flat angles P-C4'-P energy: -72.674
tors. eta vs tors. theta energy: -113.044
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: 4
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1479.980648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.980648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.980648 (E_RNA)
where:
Base-Base interactions energy: -1016.476
where: short stacking energy: -441.028
Base-Backbone interact. energy: -2.420
local terms energy: -461.084545
where:
bonds (distance) C4'-P energy: -103.120
bonds (distance) P-C4' energy: -83.474
flat angles C4'-P-C4' energy: -109.537
flat angles P-C4'-P energy: -52.108
tors. eta vs tors. theta energy: -112.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1261.239358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.239358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.239358 (E_RNA)
where:
Base-Base interactions energy: -823.781
where: short stacking energy: -366.023
Base-Backbone interact. energy: -2.734
local terms energy: -434.725099
where:
bonds (distance) C4'-P energy: -90.853
bonds (distance) P-C4' energy: -96.841
flat angles C4'-P-C4' energy: -103.397
flat angles P-C4'-P energy: -65.632
tors. eta vs tors. theta energy: -78.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1285.819212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.819212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.819212 (E_RNA)
where:
Base-Base interactions energy: -880.719
where: short stacking energy: -377.131
Base-Backbone interact. energy: -1.117
local terms energy: -403.982572
where:
bonds (distance) C4'-P energy: -78.007
bonds (distance) P-C4' energy: -84.543
flat angles C4'-P-C4' energy: -84.834
flat angles P-C4'-P energy: -64.208
tors. eta vs tors. theta energy: -92.390
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: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -764.307692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.307692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.307692 (E_RNA)
where:
Base-Base interactions energy: -424.682
where: short stacking energy: -216.033
Base-Backbone interact. energy: -1.734
local terms energy: -337.892095
where:
bonds (distance) C4'-P energy: -91.989
bonds (distance) P-C4' energy: -88.295
flat angles C4'-P-C4' energy: -75.066
flat angles P-C4'-P energy: -61.745
tors. eta vs tors. theta energy: -20.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -524.111407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.111407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.111407 (E_RNA)
where:
Base-Base interactions energy: -243.698
where: short stacking energy: -160.026
Base-Backbone interact. energy: -0.735
local terms energy: -279.678564
where:
bonds (distance) C4'-P energy: -86.968
bonds (distance) P-C4' energy: -89.041
flat angles C4'-P-C4' energy: -75.264
flat angles P-C4'-P energy: -35.949
tors. eta vs tors. theta energy: 7.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1917.015402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.015402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.015402 (E_RNA)
where:
Base-Base interactions energy: -1342.528
where: short stacking energy: -555.371
Base-Backbone interact. energy: 3.568
local terms energy: -578.055854
where:
bonds (distance) C4'-P energy: -111.955
bonds (distance) P-C4' energy: -106.051
flat angles C4'-P-C4' energy: -122.015
flat angles P-C4'-P energy: -80.811
tors. eta vs tors. theta energy: -157.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1817.746508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.746508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.746508 (E_RNA)
where:
Base-Base interactions energy: -1292.909
where: short stacking energy: -556.540
Base-Backbone interact. energy: -0.420
local terms energy: -524.417250
where:
bonds (distance) C4'-P energy: -91.016
bonds (distance) P-C4' energy: -89.177
flat angles C4'-P-C4' energy: -117.884
flat angles P-C4'-P energy: -74.860
tors. eta vs tors. theta energy: -151.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1684.339697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.339697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.339697 (E_RNA)
where:
Base-Base interactions energy: -1178.121
where: short stacking energy: -503.619
Base-Backbone interact. energy: -2.177
local terms energy: -504.042450
where:
bonds (distance) C4'-P energy: -101.540
bonds (distance) P-C4' energy: -89.769
flat angles C4'-P-C4' energy: -110.877
flat angles P-C4'-P energy: -74.182
tors. eta vs tors. theta energy: -127.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1647.527311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.527311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.527311 (E_RNA)
where:
Base-Base interactions energy: -1141.491
where: short stacking energy: -454.115
Base-Backbone interact. energy: -1.750
local terms energy: -504.286695
where:
bonds (distance) C4'-P energy: -99.637
bonds (distance) P-C4' energy: -93.442
flat angles C4'-P-C4' energy: -112.738
flat angles P-C4'-P energy: -76.817
tors. eta vs tors. theta energy: -121.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1560.109870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.109870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.109870 (E_RNA)
where:
Base-Base interactions energy: -1064.926
where: short stacking energy: -436.123
Base-Backbone interact. energy: -0.620
local terms energy: -494.564267
where:
bonds (distance) C4'-P energy: -103.092
bonds (distance) P-C4' energy: -91.002
flat angles C4'-P-C4' energy: -105.129
flat angles P-C4'-P energy: -78.156
tors. eta vs tors. theta energy: -117.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1428.723085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.723085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.723085 (E_RNA)
where:
Base-Base interactions energy: -971.024
where: short stacking energy: -442.569
Base-Backbone interact. energy: -1.492
local terms energy: -456.206399
where:
bonds (distance) C4'-P energy: -73.640
bonds (distance) P-C4' energy: -97.616
flat angles C4'-P-C4' energy: -104.624
flat angles P-C4'-P energy: -68.757
tors. eta vs tors. theta energy: -111.569
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: 407
Temperature: 1.200000
Total energy: -1226.415936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.415936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.415936 (E_RNA)
where:
Base-Base interactions energy: -794.005
where: short stacking energy: -345.678
Base-Backbone interact. energy: -1.059
local terms energy: -431.351809
where:
bonds (distance) C4'-P energy: -77.409
bonds (distance) P-C4' energy: -92.215
flat angles C4'-P-C4' energy: -110.663
flat angles P-C4'-P energy: -78.989
tors. eta vs tors. theta energy: -72.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1285.764106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.764106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.764106 (E_RNA)
where:
Base-Base interactions energy: -861.247
where: short stacking energy: -356.812
Base-Backbone interact. energy: -0.768
local terms energy: -423.748198
where:
bonds (distance) C4'-P energy: -88.071
bonds (distance) P-C4' energy: -89.462
flat angles C4'-P-C4' energy: -102.886
flat angles P-C4'-P energy: -53.678
tors. eta vs tors. theta energy: -89.650
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: 9
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -754.424629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.424629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.424629 (E_RNA)
where:
Base-Base interactions energy: -418.260
where: short stacking energy: -212.361
Base-Backbone interact. energy: 2.254
local terms energy: -338.418656
where:
bonds (distance) C4'-P energy: -82.345
bonds (distance) P-C4' energy: -89.311
flat angles C4'-P-C4' energy: -86.553
flat angles P-C4'-P energy: -53.859
tors. eta vs tors. theta energy: -26.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -543.337835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.337835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.337835 (E_RNA)
where:
Base-Base interactions energy: -257.582
where: short stacking energy: -149.063
Base-Backbone interact. energy: 3.130
local terms energy: -288.885519
where:
bonds (distance) C4'-P energy: -71.662
bonds (distance) P-C4' energy: -94.739
flat angles C4'-P-C4' energy: -71.080
flat angles P-C4'-P energy: -56.385
tors. eta vs tors. theta energy: 4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1904.213598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.213598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.213598 (E_RNA)
where:
Base-Base interactions energy: -1325.330
where: short stacking energy: -561.908
Base-Backbone interact. energy: -0.450
local terms energy: -578.433052
where:
bonds (distance) C4'-P energy: -108.875
bonds (distance) P-C4' energy: -94.744
flat angles C4'-P-C4' energy: -127.186
flat angles P-C4'-P energy: -83.987
tors. eta vs tors. theta energy: -163.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1817.985740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.985740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.985740 (E_RNA)
where:
Base-Base interactions energy: -1274.591
where: short stacking energy: -551.763
Base-Backbone interact. energy: -0.130
local terms energy: -543.265223
where:
bonds (distance) C4'-P energy: -91.678
bonds (distance) P-C4' energy: -96.670
flat angles C4'-P-C4' energy: -127.034
flat angles P-C4'-P energy: -71.873
tors. eta vs tors. theta energy: -156.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1709.245887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.245887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.245887 (E_RNA)
where:
Base-Base interactions energy: -1199.083
where: short stacking energy: -491.882
Base-Backbone interact. energy: -0.810
local terms energy: -509.352775
where:
bonds (distance) C4'-P energy: -87.928
bonds (distance) P-C4' energy: -91.288
flat angles C4'-P-C4' energy: -119.529
flat angles P-C4'-P energy: -75.624
tors. eta vs tors. theta energy: -134.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1643.388586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.388586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.388586 (E_RNA)
where:
Base-Base interactions energy: -1178.496
where: short stacking energy: -471.511
Base-Backbone interact. energy: -2.382
local terms energy: -462.510175
where:
bonds (distance) C4'-P energy: -80.470
bonds (distance) P-C4' energy: -91.979
flat angles C4'-P-C4' energy: -95.808
flat angles P-C4'-P energy: -67.428
tors. eta vs tors. theta energy: -126.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1542.209532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.209532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.209532 (E_RNA)
where:
Base-Base interactions energy: -1048.812
where: short stacking energy: -433.342
Base-Backbone interact. energy: -2.913
local terms energy: -490.484712
where:
bonds (distance) C4'-P energy: -92.857
bonds (distance) P-C4' energy: -94.511
flat angles C4'-P-C4' energy: -118.087
flat angles P-C4'-P energy: -69.619
tors. eta vs tors. theta energy: -115.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1426.596328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.596328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.596328 (E_RNA)
where:
Base-Base interactions energy: -987.145
where: short stacking energy: -423.877
Base-Backbone interact. energy: 0.015
local terms energy: -439.466331
where:
bonds (distance) C4'-P energy: -77.572
bonds (distance) P-C4' energy: -89.561
flat angles C4'-P-C4' energy: -103.903
flat angles P-C4'-P energy: -57.873
tors. eta vs tors. theta energy: -110.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1293.708440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.708440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.708440 (E_RNA)
where:
Base-Base interactions energy: -849.024
where: short stacking energy: -348.558
Base-Backbone interact. energy: -3.229
local terms energy: -441.455738
where:
bonds (distance) C4'-P energy: -80.814
bonds (distance) P-C4' energy: -92.366
flat angles C4'-P-C4' energy: -93.746
flat angles P-C4'-P energy: -76.367
tors. eta vs tors. theta energy: -98.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1197.078644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.078644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.078644 (E_RNA)
where:
Base-Base interactions energy: -784.142
where: short stacking energy: -325.413
Base-Backbone interact. energy: -3.000
local terms energy: -409.936151
where:
bonds (distance) C4'-P energy: -69.238
bonds (distance) P-C4' energy: -99.839
flat angles C4'-P-C4' energy: -94.276
flat angles P-C4'-P energy: -77.068
tors. eta vs tors. theta energy: -69.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -740.766716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.766716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.766716 (E_RNA)
where:
Base-Base interactions energy: -420.134
where: short stacking energy: -216.233
Base-Backbone interact. energy: -0.590
local terms energy: -320.043343
where:
bonds (distance) C4'-P energy: -97.445
bonds (distance) P-C4' energy: -86.108
flat angles C4'-P-C4' energy: -80.617
flat angles P-C4'-P energy: -32.311
tors. eta vs tors. theta energy: -23.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -581.875082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.875082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.875082 (E_RNA)
where:
Base-Base interactions energy: -278.316
where: short stacking energy: -176.384
Base-Backbone interact. energy: 0.967
local terms energy: -304.526473
where:
bonds (distance) C4'-P energy: -99.537
bonds (distance) P-C4' energy: -82.168
flat angles C4'-P-C4' energy: -76.030
flat angles P-C4'-P energy: -46.097
tors. eta vs tors. theta energy: -0.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1912.286048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.286048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.286048 (E_RNA)
where:
Base-Base interactions energy: -1332.200
where: short stacking energy: -576.016
Base-Backbone interact. energy: -5.337
local terms energy: -574.749367
where:
bonds (distance) C4'-P energy: -117.406
bonds (distance) P-C4' energy: -101.158
flat angles C4'-P-C4' energy: -122.474
flat angles P-C4'-P energy: -69.199
tors. eta vs tors. theta energy: -164.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1783.055293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.055293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.055293 (E_RNA)
where:
Base-Base interactions energy: -1235.553
where: short stacking energy: -516.899
Base-Backbone interact. energy: -4.763
local terms energy: -542.739356
where:
bonds (distance) C4'-P energy: -102.200
bonds (distance) P-C4' energy: -99.928
flat angles C4'-P-C4' energy: -118.197
flat angles P-C4'-P energy: -75.408
tors. eta vs tors. theta energy: -147.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1731.867928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.867928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.867928 (E_RNA)
where:
Base-Base interactions energy: -1200.611
where: short stacking energy: -516.349
Base-Backbone interact. energy: -1.249
local terms energy: -530.008295
where:
bonds (distance) C4'-P energy: -105.897
bonds (distance) P-C4' energy: -96.802
flat angles C4'-P-C4' energy: -108.330
flat angles P-C4'-P energy: -74.697
tors. eta vs tors. theta energy: -144.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1630.363053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.363053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.363053 (E_RNA)
where:
Base-Base interactions energy: -1131.598
where: short stacking energy: -457.639
Base-Backbone interact. energy: -1.076
local terms energy: -497.689498
where:
bonds (distance) C4'-P energy: -103.814
bonds (distance) P-C4' energy: -97.259
flat angles C4'-P-C4' energy: -104.585
flat angles P-C4'-P energy: -78.146
tors. eta vs tors. theta energy: -113.886
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: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1580.945204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.945204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.945204 (E_RNA)
where:
Base-Base interactions energy: -1090.109
where: short stacking energy: -461.250
Base-Backbone interact. energy: -2.145
local terms energy: -488.690811
where:
bonds (distance) C4'-P energy: -85.430
bonds (distance) P-C4' energy: -110.773
flat angles C4'-P-C4' energy: -101.648
flat angles P-C4'-P energy: -68.068
tors. eta vs tors. theta energy: -122.772
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: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1492.268053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.268053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.268053 (E_RNA)
where:
Base-Base interactions energy: -1037.351
where: short stacking energy: -436.818
Base-Backbone interact. energy: -1.716
local terms energy: -453.201300
where:
bonds (distance) C4'-P energy: -85.585
bonds (distance) P-C4' energy: -80.425
flat angles C4'-P-C4' energy: -100.845
flat angles P-C4'-P energy: -75.513
tors. eta vs tors. theta energy: -110.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1267.022660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.022660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.022660 (E_RNA)
where:
Base-Base interactions energy: -838.094
where: short stacking energy: -359.110
Base-Backbone interact. energy: -0.127
local terms energy: -428.801349
where:
bonds (distance) C4'-P energy: -97.417
bonds (distance) P-C4' energy: -93.405
flat angles C4'-P-C4' energy: -95.774
flat angles P-C4'-P energy: -54.365
tors. eta vs tors. theta energy: -87.839
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: 7
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1147.191319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.191319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.191319 (E_RNA)
where:
Base-Base interactions energy: -762.176
where: short stacking energy: -326.108
Base-Backbone interact. energy: 0.208
local terms energy: -385.222707
where:
bonds (distance) C4'-P energy: -89.912
bonds (distance) P-C4' energy: -88.091
flat angles C4'-P-C4' energy: -67.389
flat angles P-C4'-P energy: -70.951
tors. eta vs tors. theta energy: -68.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -807.807291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.807291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.807291 (E_RNA)
where:
Base-Base interactions energy: -504.917
where: short stacking energy: -250.945
Base-Backbone interact. energy: 3.214
local terms energy: -306.103775
where:
bonds (distance) C4'-P energy: -85.790
bonds (distance) P-C4' energy: -85.523
flat angles C4'-P-C4' energy: -76.116
flat angles P-C4'-P energy: -38.638
tors. eta vs tors. theta energy: -20.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -561.834447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.834447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.834447 (E_RNA)
where:
Base-Base interactions energy: -292.514
where: short stacking energy: -170.044
Base-Backbone interact. energy: 5.098
local terms energy: -274.417596
where:
bonds (distance) C4'-P energy: -72.259
bonds (distance) P-C4' energy: -97.865
flat angles C4'-P-C4' energy: -71.764
flat angles P-C4'-P energy: -46.587
tors. eta vs tors. theta energy: 14.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1909.770045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.770045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.770045 (E_RNA)
where:
Base-Base interactions energy: -1345.946
where: short stacking energy: -549.060
Base-Backbone interact. energy: -1.604
local terms energy: -562.220169
where:
bonds (distance) C4'-P energy: -105.473
bonds (distance) P-C4' energy: -93.541
flat angles C4'-P-C4' energy: -127.612
flat angles P-C4'-P energy: -78.447
tors. eta vs tors. theta energy: -157.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1801.194849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.194849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.194849 (E_RNA)
where:
Base-Base interactions energy: -1248.013
where: short stacking energy: -526.981
Base-Backbone interact. energy: -2.363
local terms energy: -550.819665
where:
bonds (distance) C4'-P energy: -99.200
bonds (distance) P-C4' energy: -99.574
flat angles C4'-P-C4' energy: -122.259
flat angles P-C4'-P energy: -79.349
tors. eta vs tors. theta energy: -150.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1716.567838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.567838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.567838 (E_RNA)
where:
Base-Base interactions energy: -1182.112
where: short stacking energy: -488.673
Base-Backbone interact. energy: 0.766
local terms energy: -535.221978
where:
bonds (distance) C4'-P energy: -112.192
bonds (distance) P-C4' energy: -102.235
flat angles C4'-P-C4' energy: -112.831
flat angles P-C4'-P energy: -67.907
tors. eta vs tors. theta energy: -140.056
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: 1
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1636.538235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.538235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.538235 (E_RNA)
where:
Base-Base interactions energy: -1137.555
where: short stacking energy: -471.848
Base-Backbone interact. energy: -1.553
local terms energy: -497.429894
where:
bonds (distance) C4'-P energy: -114.559
bonds (distance) P-C4' energy: -96.125
flat angles C4'-P-C4' energy: -110.169
flat angles P-C4'-P energy: -54.135
tors. eta vs tors. theta energy: -122.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1527.192177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.192177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.192177 (E_RNA)
where:
Base-Base interactions energy: -1050.686
where: short stacking energy: -427.234
Base-Backbone interact. energy: -1.939
local terms energy: -474.567074
where:
bonds (distance) C4'-P energy: -102.565
bonds (distance) P-C4' energy: -92.060
flat angles C4'-P-C4' energy: -103.126
flat angles P-C4'-P energy: -63.540
tors. eta vs tors. theta energy: -113.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1442.636532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.636532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.636532 (E_RNA)
where:
Base-Base interactions energy: -998.078
where: short stacking energy: -419.355
Base-Backbone interact. energy: -2.810
local terms energy: -441.749074
where:
bonds (distance) C4'-P energy: -89.724
bonds (distance) P-C4' energy: -87.533
flat angles C4'-P-C4' energy: -102.339
flat angles P-C4'-P energy: -56.769
tors. eta vs tors. theta energy: -105.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1265.069516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.069516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.069516 (E_RNA)
where:
Base-Base interactions energy: -801.680
where: short stacking energy: -354.531
Base-Backbone interact. energy: -0.671
local terms energy: -462.718580
where:
bonds (distance) C4'-P energy: -102.891
bonds (distance) P-C4' energy: -91.450
flat angles C4'-P-C4' energy: -105.798
flat angles P-C4'-P energy: -76.682
tors. eta vs tors. theta energy: -85.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1121.208995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.208995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.208995 (E_RNA)
where:
Base-Base interactions energy: -745.551
where: short stacking energy: -340.834
Base-Backbone interact. energy: 0.403
local terms energy: -376.061131
where:
bonds (distance) C4'-P energy: -86.947
bonds (distance) P-C4' energy: -66.350
flat angles C4'-P-C4' energy: -99.952
flat angles P-C4'-P energy: -62.497
tors. eta vs tors. theta energy: -60.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -741.189159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.189159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.189159 (E_RNA)
where:
Base-Base interactions energy: -436.611
where: short stacking energy: -202.880
Base-Backbone interact. energy: -2.413
local terms energy: -302.164947
where:
bonds (distance) C4'-P energy: -84.435
bonds (distance) P-C4' energy: -81.689
flat angles C4'-P-C4' energy: -84.652
flat angles P-C4'-P energy: -49.788
tors. eta vs tors. theta energy: -1.601
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: 410
Temperature: 1.350000
Total energy: -528.926937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.926937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.926937 (E_RNA)
where:
Base-Base interactions energy: -252.714
where: short stacking energy: -146.448
Base-Backbone interact. energy: 1.028
local terms energy: -277.240954
where:
bonds (distance) C4'-P energy: -90.645
bonds (distance) P-C4' energy: -81.384
flat angles C4'-P-C4' energy: -70.246
flat angles P-C4'-P energy: -46.397
tors. eta vs tors. theta energy: 11.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1919.384465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.384465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.384465 (E_RNA)
where:
Base-Base interactions energy: -1334.686
where: short stacking energy: -557.412
Base-Backbone interact. energy: -3.387
local terms energy: -581.310766
where:
bonds (distance) C4'-P energy: -100.705
bonds (distance) P-C4' energy: -105.781
flat angles C4'-P-C4' energy: -127.022
flat angles P-C4'-P energy: -86.253
tors. eta vs tors. theta energy: -161.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1770.321533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.321533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.321533 (E_RNA)
where:
Base-Base interactions energy: -1216.677
where: short stacking energy: -506.231
Base-Backbone interact. energy: -2.566
local terms energy: -551.079031
where:
bonds (distance) C4'-P energy: -100.379
bonds (distance) P-C4' energy: -108.195
flat angles C4'-P-C4' energy: -117.328
flat angles P-C4'-P energy: -76.239
tors. eta vs tors. theta energy: -148.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1717.588601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.588601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.588601 (E_RNA)
where:
Base-Base interactions energy: -1192.685
where: short stacking energy: -496.019
Base-Backbone interact. energy: -1.167
local terms energy: -523.736230
where:
bonds (distance) C4'-P energy: -97.922
bonds (distance) P-C4' energy: -106.117
flat angles C4'-P-C4' energy: -109.671
flat angles P-C4'-P energy: -73.664
tors. eta vs tors. theta energy: -136.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1662.548844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.548844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.548844 (E_RNA)
where:
Base-Base interactions energy: -1178.482
where: short stacking energy: -489.763
Base-Backbone interact. energy: -1.717
local terms energy: -482.349612
where:
bonds (distance) C4'-P energy: -86.863
bonds (distance) P-C4' energy: -86.424
flat angles C4'-P-C4' energy: -104.140
flat angles P-C4'-P energy: -78.393
tors. eta vs tors. theta energy: -126.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1515.089143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.089143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.089143 (E_RNA)
where:
Base-Base interactions energy: -1055.284
where: short stacking energy: -471.033
Base-Backbone interact. energy: -0.894
local terms energy: -458.911381
where:
bonds (distance) C4'-P energy: -77.612
bonds (distance) P-C4' energy: -82.921
flat angles C4'-P-C4' energy: -99.862
flat angles P-C4'-P energy: -71.025
tors. eta vs tors. theta energy: -127.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1489.097882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.097882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.097882 (E_RNA)
where:
Base-Base interactions energy: -1037.891
where: short stacking energy: -444.960
Base-Backbone interact. energy: -2.438
local terms energy: -448.768370
where:
bonds (distance) C4'-P energy: -91.606
bonds (distance) P-C4' energy: -89.194
flat angles C4'-P-C4' energy: -100.991
flat angles P-C4'-P energy: -58.003
tors. eta vs tors. theta energy: -108.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1271.201640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.201640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.201640 (E_RNA)
where:
Base-Base interactions energy: -876.130
where: short stacking energy: -366.175
Base-Backbone interact. energy: 0.554
local terms energy: -395.625757
where:
bonds (distance) C4'-P energy: -83.477
bonds (distance) P-C4' energy: -93.360
flat angles C4'-P-C4' energy: -83.464
flat angles P-C4'-P energy: -59.573
tors. eta vs tors. theta energy: -75.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1137.511378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.511378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.511378 (E_RNA)
where:
Base-Base interactions energy: -766.720
where: short stacking energy: -339.128
Base-Backbone interact. energy: 0.495
local terms energy: -371.286921
where:
bonds (distance) C4'-P energy: -84.746
bonds (distance) P-C4' energy: -103.119
flat angles C4'-P-C4' energy: -76.478
flat angles P-C4'-P energy: -42.314
tors. eta vs tors. theta energy: -64.630
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: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -690.930498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.930498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.930498 (E_RNA)
where:
Base-Base interactions energy: -383.004
where: short stacking energy: -179.686
Base-Backbone interact. energy: 1.237
local terms energy: -309.163094
where:
bonds (distance) C4'-P energy: -85.036
bonds (distance) P-C4' energy: -96.107
flat angles C4'-P-C4' energy: -91.351
flat angles P-C4'-P energy: -27.425
tors. eta vs tors. theta energy: -9.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -560.819321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.819321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.819321 (E_RNA)
where:
Base-Base interactions energy: -289.197
where: short stacking energy: -170.485
Base-Backbone interact. energy: 0.837
local terms energy: -272.459702
where:
bonds (distance) C4'-P energy: -74.062
bonds (distance) P-C4' energy: -76.655
flat angles C4'-P-C4' energy: -75.234
flat angles P-C4'-P energy: -43.379
tors. eta vs tors. theta energy: -3.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1935.804041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.804041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.804041 (E_RNA)
where:
Base-Base interactions energy: -1377.048
where: short stacking energy: -572.375
Base-Backbone interact. energy: -1.887
local terms energy: -556.869022
where:
bonds (distance) C4'-P energy: -101.506
bonds (distance) P-C4' energy: -104.032
flat angles C4'-P-C4' energy: -110.102
flat angles P-C4'-P energy: -76.299
tors. eta vs tors. theta energy: -164.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1768.584196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.584196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.584196 (E_RNA)
where:
Base-Base interactions energy: -1229.135
where: short stacking energy: -528.012
Base-Backbone interact. energy: 1.483
local terms energy: -540.932193
where:
bonds (distance) C4'-P energy: -103.636
bonds (distance) P-C4' energy: -115.261
flat angles C4'-P-C4' energy: -111.753
flat angles P-C4'-P energy: -65.114
tors. eta vs tors. theta energy: -145.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1715.056335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.056335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.056335 (E_RNA)
where:
Base-Base interactions energy: -1188.267
where: short stacking energy: -520.601
Base-Backbone interact. energy: 4.569
local terms energy: -531.358702
where:
bonds (distance) C4'-P energy: -98.249
bonds (distance) P-C4' energy: -104.580
flat angles C4'-P-C4' energy: -110.883
flat angles P-C4'-P energy: -71.958
tors. eta vs tors. theta energy: -145.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1626.014627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.014627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.014627 (E_RNA)
where:
Base-Base interactions energy: -1164.500
where: short stacking energy: -502.797
Base-Backbone interact. energy: -2.719
local terms energy: -458.795237
where:
bonds (distance) C4'-P energy: -72.691
bonds (distance) P-C4' energy: -91.978
flat angles C4'-P-C4' energy: -91.787
flat angles P-C4'-P energy: -70.106
tors. eta vs tors. theta energy: -132.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1530.974902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.974902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.974902 (E_RNA)
where:
Base-Base interactions energy: -1062.958
where: short stacking energy: -455.758
Base-Backbone interact. energy: -0.022
local terms energy: -467.994164
where:
bonds (distance) C4'-P energy: -87.386
bonds (distance) P-C4' energy: -96.481
flat angles C4'-P-C4' energy: -111.243
flat angles P-C4'-P energy: -57.317
tors. eta vs tors. theta energy: -115.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1473.599373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.599373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.599373 (E_RNA)
where:
Base-Base interactions energy: -994.429
where: short stacking energy: -433.124
Base-Backbone interact. energy: -3.335
local terms energy: -475.836010
where:
bonds (distance) C4'-P energy: -86.845
bonds (distance) P-C4' energy: -93.392
flat angles C4'-P-C4' energy: -106.935
flat angles P-C4'-P energy: -68.496
tors. eta vs tors. theta energy: -120.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1268.389475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.389475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.389475 (E_RNA)
where:
Base-Base interactions energy: -870.350
where: short stacking energy: -374.035
Base-Backbone interact. energy: -3.294
local terms energy: -394.745724
where:
bonds (distance) C4'-P energy: -69.705
bonds (distance) P-C4' energy: -90.812
flat angles C4'-P-C4' energy: -92.977
flat angles P-C4'-P energy: -62.720
tors. eta vs tors. theta energy: -78.532
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: 8, replica: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1098.684256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.684256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.684256 (E_RNA)
where:
Base-Base interactions energy: -707.653
where: short stacking energy: -334.210
Base-Backbone interact. energy: -0.634
local terms energy: -390.397156
where:
bonds (distance) C4'-P energy: -82.097
bonds (distance) P-C4' energy: -88.297
flat angles C4'-P-C4' energy: -85.892
flat angles P-C4'-P energy: -58.946
tors. eta vs tors. theta energy: -75.165
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: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -722.281830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.281830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.281830 (E_RNA)
where:
Base-Base interactions energy: -399.353
where: short stacking energy: -215.580
Base-Backbone interact. energy: 1.105
local terms energy: -324.034599
where:
bonds (distance) C4'-P energy: -82.251
bonds (distance) P-C4' energy: -88.052
flat angles C4'-P-C4' energy: -57.767
flat angles P-C4'-P energy: -60.269
tors. eta vs tors. theta energy: -35.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -562.267887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.267887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.267887 (E_RNA)
where:
Base-Base interactions energy: -253.059
where: short stacking energy: -161.997
Base-Backbone interact. energy: -4.013
local terms energy: -305.195745
where:
bonds (distance) C4'-P energy: -85.392
bonds (distance) P-C4' energy: -94.076
flat angles C4'-P-C4' energy: -87.916
flat angles P-C4'-P energy: -32.459
tors. eta vs tors. theta energy: -5.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1895.319368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.319368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.319368 (E_RNA)
where:
Base-Base interactions energy: -1333.355
where: short stacking energy: -553.242
Base-Backbone interact. energy: -2.498
local terms energy: -559.466203
where:
bonds (distance) C4'-P energy: -87.971
bonds (distance) P-C4' energy: -111.580
flat angles C4'-P-C4' energy: -119.507
flat angles P-C4'-P energy: -81.132
tors. eta vs tors. theta energy: -159.277
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: 3
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1756.447503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.447503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.447503 (E_RNA)
where:
Base-Base interactions energy: -1217.730
where: short stacking energy: -523.690
Base-Backbone interact. energy: -0.544
local terms energy: -538.173328
where:
bonds (distance) C4'-P energy: -103.601
bonds (distance) P-C4' energy: -98.817
flat angles C4'-P-C4' energy: -120.010
flat angles P-C4'-P energy: -72.019
tors. eta vs tors. theta energy: -143.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1741.282302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.282302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.282302 (E_RNA)
where:
Base-Base interactions energy: -1220.720
where: short stacking energy: -528.581
Base-Backbone interact. energy: -2.118
local terms energy: -518.444423
where:
bonds (distance) C4'-P energy: -101.463
bonds (distance) P-C4' energy: -95.514
flat angles C4'-P-C4' energy: -113.117
flat angles P-C4'-P energy: -73.792
tors. eta vs tors. theta energy: -134.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1633.826045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.826045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.826045 (E_RNA)
where:
Base-Base interactions energy: -1164.702
where: short stacking energy: -468.492
Base-Backbone interact. energy: -1.590
local terms energy: -467.534119
where:
bonds (distance) C4'-P energy: -74.571
bonds (distance) P-C4' energy: -92.308
flat angles C4'-P-C4' energy: -106.564
flat angles P-C4'-P energy: -60.787
tors. eta vs tors. theta energy: -133.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1523.919876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.919876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.919876 (E_RNA)
where:
Base-Base interactions energy: -1053.099
where: short stacking energy: -440.719
Base-Backbone interact. energy: 1.460
local terms energy: -472.280471
where:
bonds (distance) C4'-P energy: -86.778
bonds (distance) P-C4' energy: -92.354
flat angles C4'-P-C4' energy: -102.236
flat angles P-C4'-P energy: -67.538
tors. eta vs tors. theta energy: -123.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1436.811012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.811012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.811012 (E_RNA)
where:
Base-Base interactions energy: -973.431
where: short stacking energy: -426.292
Base-Backbone interact. energy: -2.666
local terms energy: -460.714035
where:
bonds (distance) C4'-P energy: -84.516
bonds (distance) P-C4' energy: -103.295
flat angles C4'-P-C4' energy: -100.360
flat angles P-C4'-P energy: -60.192
tors. eta vs tors. theta energy: -112.351
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: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1282.972745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.972745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.972745 (E_RNA)
where:
Base-Base interactions energy: -892.495
where: short stacking energy: -372.721
Base-Backbone interact. energy: -1.039
local terms energy: -389.438251
where:
bonds (distance) C4'-P energy: -77.164
bonds (distance) P-C4' energy: -68.480
flat angles C4'-P-C4' energy: -106.953
flat angles P-C4'-P energy: -61.304
tors. eta vs tors. theta energy: -75.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1126.732978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.732978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.732978 (E_RNA)
where:
Base-Base interactions energy: -718.275
where: short stacking energy: -321.999
Base-Backbone interact. energy: -2.413
local terms energy: -406.045508
where:
bonds (distance) C4'-P energy: -94.653
bonds (distance) P-C4' energy: -77.224
flat angles C4'-P-C4' energy: -96.928
flat angles P-C4'-P energy: -68.497
tors. eta vs tors. theta energy: -68.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -723.835213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.835213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.835213 (E_RNA)
where:
Base-Base interactions energy: -421.995
where: short stacking energy: -248.701
Base-Backbone interact. energy: -0.325
local terms energy: -301.515390
where:
bonds (distance) C4'-P energy: -69.415
bonds (distance) P-C4' energy: -69.100
flat angles C4'-P-C4' energy: -74.320
flat angles P-C4'-P energy: -54.968
tors. eta vs tors. theta energy: -33.714
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: 413
Temperature: 1.350000
Total energy: -549.125970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.125970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.125970 (E_RNA)
where:
Base-Base interactions energy: -261.128
where: short stacking energy: -160.502
Base-Backbone interact. energy: -0.864
local terms energy: -287.134036
where:
bonds (distance) C4'-P energy: -86.844
bonds (distance) P-C4' energy: -83.179
flat angles C4'-P-C4' energy: -84.726
flat angles P-C4'-P energy: -47.286
tors. eta vs tors. theta energy: 14.902
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: 414
Temperature: 0.900000
Total energy: -1890.320904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.320904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.320904 (E_RNA)
where:
Base-Base interactions energy: -1335.265
where: short stacking energy: -561.466
Base-Backbone interact. energy: -3.090
local terms energy: -551.965044
where:
bonds (distance) C4'-P energy: -104.392
bonds (distance) P-C4' energy: -99.341
flat angles C4'-P-C4' energy: -116.808
flat angles P-C4'-P energy: -71.856
tors. eta vs tors. theta energy: -159.568
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: 2, replica: 3
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1776.525289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.525289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.525289 (E_RNA)
where:
Base-Base interactions energy: -1232.676
where: short stacking energy: -523.644
Base-Backbone interact. energy: -2.031
local terms energy: -541.818188
where:
bonds (distance) C4'-P energy: -105.325
bonds (distance) P-C4' energy: -107.796
flat angles C4'-P-C4' energy: -118.694
flat angles P-C4'-P energy: -68.313
tors. eta vs tors. theta energy: -141.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1716.887862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.887862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.887862 (E_RNA)
where:
Base-Base interactions energy: -1183.705
where: short stacking energy: -507.639
Base-Backbone interact. energy: 1.514
local terms energy: -534.696864
where:
bonds (distance) C4'-P energy: -98.778
bonds (distance) P-C4' energy: -102.342
flat angles C4'-P-C4' energy: -108.239
flat angles P-C4'-P energy: -89.102
tors. eta vs tors. theta energy: -136.236
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: 1
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1685.100365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.100365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.100365 (E_RNA)
where:
Base-Base interactions energy: -1185.345
where: short stacking energy: -507.550
Base-Backbone interact. energy: -2.185
local terms energy: -497.570036
where:
bonds (distance) C4'-P energy: -94.413
bonds (distance) P-C4' energy: -86.162
flat angles C4'-P-C4' energy: -103.765
flat angles P-C4'-P energy: -73.884
tors. eta vs tors. theta energy: -139.347
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: 4
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1543.698999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.698999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.698999 (E_RNA)
where:
Base-Base interactions energy: -1055.513
where: short stacking energy: -445.055
Base-Backbone interact. energy: -2.580
local terms energy: -485.606420
where:
bonds (distance) C4'-P energy: -86.259
bonds (distance) P-C4' energy: -110.137
flat angles C4'-P-C4' energy: -107.432
flat angles P-C4'-P energy: -66.148
tors. eta vs tors. theta energy: -115.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1436.797070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.797070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.797070 (E_RNA)
where:
Base-Base interactions energy: -991.817
where: short stacking energy: -429.980
Base-Backbone interact. energy: 8.188
local terms energy: -453.167263
where:
bonds (distance) C4'-P energy: -85.554
bonds (distance) P-C4' energy: -95.164
flat angles C4'-P-C4' energy: -96.766
flat angles P-C4'-P energy: -56.547
tors. eta vs tors. theta energy: -119.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1292.949403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.949403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.949403 (E_RNA)
where:
Base-Base interactions energy: -861.760
where: short stacking energy: -347.449
Base-Backbone interact. energy: -0.913
local terms energy: -430.276735
where:
bonds (distance) C4'-P energy: -93.824
bonds (distance) P-C4' energy: -98.640
flat angles C4'-P-C4' energy: -99.275
flat angles P-C4'-P energy: -63.544
tors. eta vs tors. theta energy: -74.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1134.908653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.908653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.908653 (E_RNA)
where:
Base-Base interactions energy: -717.381
where: short stacking energy: -338.401
Base-Backbone interact. energy: -0.867
local terms energy: -416.660602
where:
bonds (distance) C4'-P energy: -79.156
bonds (distance) P-C4' energy: -90.462
flat angles C4'-P-C4' energy: -97.327
flat angles P-C4'-P energy: -58.979
tors. eta vs tors. theta energy: -90.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -708.858484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.858484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.858484 (E_RNA)
where:
Base-Base interactions energy: -387.081
where: short stacking energy: -190.651
Base-Backbone interact. energy: 0.106
local terms energy: -321.883239
where:
bonds (distance) C4'-P energy: -84.381
bonds (distance) P-C4' energy: -93.753
flat angles C4'-P-C4' energy: -76.373
flat angles P-C4'-P energy: -57.457
tors. eta vs tors. theta energy: -9.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -575.245440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.245440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.245440 (E_RNA)
where:
Base-Base interactions energy: -280.713
where: short stacking energy: -183.875
Base-Backbone interact. energy: 3.651
local terms energy: -298.183448
where:
bonds (distance) C4'-P energy: -88.571
bonds (distance) P-C4' energy: -88.891
flat angles C4'-P-C4' energy: -60.771
flat angles P-C4'-P energy: -42.976
tors. eta vs tors. theta energy: -16.973
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: 415
Temperature: 0.900000
Total energy: -1891.766517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.766517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.766517 (E_RNA)
where:
Base-Base interactions energy: -1332.336
where: short stacking energy: -562.932
Base-Backbone interact. energy: -2.990
local terms energy: -556.440810
where:
bonds (distance) C4'-P energy: -102.501
bonds (distance) P-C4' energy: -105.583
flat angles C4'-P-C4' energy: -102.859
flat angles P-C4'-P energy: -84.885
tors. eta vs tors. theta energy: -160.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1760.021292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.021292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.021292 (E_RNA)
where:
Base-Base interactions energy: -1219.725
where: short stacking energy: -502.019
Base-Backbone interact. energy: -3.017
local terms energy: -537.279122
where:
bonds (distance) C4'-P energy: -87.734
bonds (distance) P-C4' energy: -93.501
flat angles C4'-P-C4' energy: -126.351
flat angles P-C4'-P energy: -88.877
tors. eta vs tors. theta energy: -140.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1702.328009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.328009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.328009 (E_RNA)
where:
Base-Base interactions energy: -1191.929
where: short stacking energy: -505.721
Base-Backbone interact. energy: 0.655
local terms energy: -511.053597
where:
bonds (distance) C4'-P energy: -90.348
bonds (distance) P-C4' energy: -103.879
flat angles C4'-P-C4' energy: -105.032
flat angles P-C4'-P energy: -76.002
tors. eta vs tors. theta energy: -135.793
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: 1
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1640.084431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.084431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.084431 (E_RNA)
where:
Base-Base interactions energy: -1146.312
where: short stacking energy: -483.839
Base-Backbone interact. energy: 0.009
local terms energy: -493.781361
where:
bonds (distance) C4'-P energy: -89.722
bonds (distance) P-C4' energy: -106.078
flat angles C4'-P-C4' energy: -101.315
flat angles P-C4'-P energy: -74.842
tors. eta vs tors. theta energy: -121.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1537.250931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.250931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.250931 (E_RNA)
where:
Base-Base interactions energy: -1078.943
where: short stacking energy: -445.951
Base-Backbone interact. energy: 3.323
local terms energy: -461.630693
where:
bonds (distance) C4'-P energy: -99.785
bonds (distance) P-C4' energy: -85.821
flat angles C4'-P-C4' energy: -102.701
flat angles P-C4'-P energy: -58.280
tors. eta vs tors. theta energy: -115.044
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: 6
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1429.780480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.780480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.780480 (E_RNA)
where:
Base-Base interactions energy: -963.284
where: short stacking energy: -388.954
Base-Backbone interact. energy: -0.253
local terms energy: -466.243892
where:
bonds (distance) C4'-P energy: -82.128
bonds (distance) P-C4' energy: -104.104
flat angles C4'-P-C4' energy: -89.101
flat angles P-C4'-P energy: -77.802
tors. eta vs tors. theta energy: -113.110
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: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1296.436183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.436183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.436183 (E_RNA)
where:
Base-Base interactions energy: -885.147
where: short stacking energy: -339.691
Base-Backbone interact. energy: -0.241
local terms energy: -411.048251
where:
bonds (distance) C4'-P energy: -87.908
bonds (distance) P-C4' energy: -91.027
flat angles C4'-P-C4' energy: -103.539
flat angles P-C4'-P energy: -51.159
tors. eta vs tors. theta energy: -77.415
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: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1175.326745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.326745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.326745 (E_RNA)
where:
Base-Base interactions energy: -788.086
where: short stacking energy: -349.671
Base-Backbone interact. energy: -2.826
local terms energy: -384.415262
where:
bonds (distance) C4'-P energy: -88.282
bonds (distance) P-C4' energy: -101.704
flat angles C4'-P-C4' energy: -78.136
flat angles P-C4'-P energy: -61.954
tors. eta vs tors. theta energy: -54.339
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: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -697.989849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.989849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.989849 (E_RNA)
where:
Base-Base interactions energy: -386.614
where: short stacking energy: -211.662
Base-Backbone interact. energy: -0.274
local terms energy: -311.102669
where:
bonds (distance) C4'-P energy: -79.702
bonds (distance) P-C4' energy: -89.285
flat angles C4'-P-C4' energy: -89.378
flat angles P-C4'-P energy: -52.105
tors. eta vs tors. theta energy: -0.632
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: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -547.156168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.156168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.156168 (E_RNA)
where:
Base-Base interactions energy: -269.243
where: short stacking energy: -148.008
Base-Backbone interact. energy: -1.691
local terms energy: -276.222528
where:
bonds (distance) C4'-P energy: -77.028
bonds (distance) P-C4' energy: -80.203
flat angles C4'-P-C4' energy: -83.872
flat angles P-C4'-P energy: -40.186
tors. eta vs tors. theta energy: 5.067
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: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1876.508084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.508084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.508084 (E_RNA)
where:
Base-Base interactions energy: -1316.450
where: short stacking energy: -530.925
Base-Backbone interact. energy: -2.789
local terms energy: -557.269220
where:
bonds (distance) C4'-P energy: -104.074
bonds (distance) P-C4' energy: -112.134
flat angles C4'-P-C4' energy: -104.618
flat angles P-C4'-P energy: -82.528
tors. eta vs tors. theta energy: -153.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1789.149088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.149088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.149088 (E_RNA)
where:
Base-Base interactions energy: -1236.099
where: short stacking energy: -540.812
Base-Backbone interact. energy: -1.897
local terms energy: -551.153857
where:
bonds (distance) C4'-P energy: -101.919
bonds (distance) P-C4' energy: -110.391
flat angles C4'-P-C4' energy: -113.627
flat angles P-C4'-P energy: -82.738
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: 3, replica: 5
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1721.784431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.784431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.784431 (E_RNA)
where:
Base-Base interactions energy: -1212.196
where: short stacking energy: -498.047
Base-Backbone interact. energy: -0.916
local terms energy: -508.672422
where:
bonds (distance) C4'-P energy: -86.050
bonds (distance) P-C4' energy: -101.232
flat angles C4'-P-C4' energy: -121.109
flat angles P-C4'-P energy: -67.005
tors. eta vs tors. theta energy: -133.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1696.347977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.347977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.347977 (E_RNA)
where:
Base-Base interactions energy: -1192.989
where: short stacking energy: -499.515
Base-Backbone interact. energy: -0.914
local terms energy: -502.445929
where:
bonds (distance) C4'-P energy: -98.332
bonds (distance) P-C4' energy: -98.557
flat angles C4'-P-C4' energy: -109.747
flat angles P-C4'-P energy: -63.071
tors. eta vs tors. theta energy: -132.740
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: 416
Temperature: 1.100000
Total energy: -1544.937110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.937110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.937110 (E_RNA)
where:
Base-Base interactions energy: -1061.238
where: short stacking energy: -428.180
Base-Backbone interact. energy: 2.616
local terms energy: -486.314414
where:
bonds (distance) C4'-P energy: -100.991
bonds (distance) P-C4' energy: -102.949
flat angles C4'-P-C4' energy: -107.846
flat angles P-C4'-P energy: -66.518
tors. eta vs tors. theta energy: -108.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1425.241924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.241924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.241924 (E_RNA)
where:
Base-Base interactions energy: -1001.093
where: short stacking energy: -409.520
Base-Backbone interact. energy: 2.821
local terms energy: -426.970194
where:
bonds (distance) C4'-P energy: -82.195
bonds (distance) P-C4' energy: -91.821
flat angles C4'-P-C4' energy: -99.411
flat angles P-C4'-P energy: -56.321
tors. eta vs tors. theta energy: -97.222
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: 8
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1290.837105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.837105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.837105 (E_RNA)
where:
Base-Base interactions energy: -850.046
where: short stacking energy: -370.063
Base-Backbone interact. energy: -0.678
local terms energy: -440.112720
where:
bonds (distance) C4'-P energy: -107.636
bonds (distance) P-C4' energy: -85.858
flat angles C4'-P-C4' energy: -96.120
flat angles P-C4'-P energy: -61.652
tors. eta vs tors. theta energy: -88.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1194.582956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.582956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.582956 (E_RNA)
where:
Base-Base interactions energy: -802.949
where: short stacking energy: -365.819
Base-Backbone interact. energy: 3.081
local terms energy: -394.715401
where:
bonds (distance) C4'-P energy: -88.680
bonds (distance) P-C4' energy: -85.989
flat angles C4'-P-C4' energy: -95.570
flat angles P-C4'-P energy: -54.857
tors. eta vs tors. theta energy: -69.620
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: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -716.720086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.720086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.720086 (E_RNA)
where:
Base-Base interactions energy: -392.737
where: short stacking energy: -199.556
Base-Backbone interact. energy: -1.785
local terms energy: -322.198002
where:
bonds (distance) C4'-P energy: -76.969
bonds (distance) P-C4' energy: -91.482
flat angles C4'-P-C4' energy: -81.097
flat angles P-C4'-P energy: -55.194
tors. eta vs tors. theta energy: -17.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -548.972666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.972666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.972666 (E_RNA)
where:
Base-Base interactions energy: -259.278
where: short stacking energy: -144.828
Base-Backbone interact. energy: -1.690
local terms energy: -288.004297
where:
bonds (distance) C4'-P energy: -83.176
bonds (distance) P-C4' energy: -94.588
flat angles C4'-P-C4' energy: -76.257
flat angles P-C4'-P energy: -35.236
tors. eta vs tors. theta energy: 1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1877.796221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.796221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.796221 (E_RNA)
where:
Base-Base interactions energy: -1313.483
where: short stacking energy: -564.394
Base-Backbone interact. energy: -2.725
local terms energy: -561.587686
where:
bonds (distance) C4'-P energy: -104.526
bonds (distance) P-C4' energy: -105.396
flat angles C4'-P-C4' energy: -117.060
flat angles P-C4'-P energy: -72.267
tors. eta vs tors. theta energy: -162.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1798.374610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.374610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.374610 (E_RNA)
where:
Base-Base interactions energy: -1280.074
where: short stacking energy: -536.739
Base-Backbone interact. energy: -2.161
local terms energy: -516.139959
where:
bonds (distance) C4'-P energy: -91.270
bonds (distance) P-C4' energy: -91.287
flat angles C4'-P-C4' energy: -114.978
flat angles P-C4'-P energy: -78.580
tors. eta vs tors. theta energy: -140.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1725.042706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.042706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.042706 (E_RNA)
where:
Base-Base interactions energy: -1212.689
where: short stacking energy: -500.391
Base-Backbone interact. energy: -2.906
local terms energy: -509.448142
where:
bonds (distance) C4'-P energy: -85.959
bonds (distance) P-C4' energy: -95.365
flat angles C4'-P-C4' energy: -117.663
flat angles P-C4'-P energy: -78.117
tors. eta vs tors. theta energy: -132.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1698.022684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.022684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.022684 (E_RNA)
where:
Base-Base interactions energy: -1166.581
where: short stacking energy: -499.603
Base-Backbone interact. energy: -0.927
local terms energy: -530.514466
where:
bonds (distance) C4'-P energy: -102.547
bonds (distance) P-C4' energy: -95.966
flat angles C4'-P-C4' energy: -116.249
flat angles P-C4'-P energy: -79.345
tors. eta vs tors. theta energy: -136.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1538.323355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.323355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.323355 (E_RNA)
where:
Base-Base interactions energy: -1069.072
where: short stacking energy: -452.413
Base-Backbone interact. energy: 4.122
local terms energy: -473.373548
where:
bonds (distance) C4'-P energy: -97.839
bonds (distance) P-C4' energy: -97.085
flat angles C4'-P-C4' energy: -96.713
flat angles P-C4'-P energy: -64.193
tors. eta vs tors. theta energy: -117.544
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: 6
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1438.021743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.021743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.021743 (E_RNA)
where:
Base-Base interactions energy: -987.912
where: short stacking energy: -415.687
Base-Backbone interact. energy: 0.932
local terms energy: -451.041110
where:
bonds (distance) C4'-P energy: -72.989
bonds (distance) P-C4' energy: -86.441
flat angles C4'-P-C4' energy: -110.542
flat angles P-C4'-P energy: -72.180
tors. eta vs tors. theta energy: -108.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1270.071474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.071474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.071474 (E_RNA)
where:
Base-Base interactions energy: -889.469
where: short stacking energy: -372.144
Base-Backbone interact. energy: 1.142
local terms energy: -381.744660
where:
bonds (distance) C4'-P energy: -72.464
bonds (distance) P-C4' energy: -82.608
flat angles C4'-P-C4' energy: -100.121
flat angles P-C4'-P energy: -49.391
tors. eta vs tors. theta energy: -77.161
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: 7
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1159.823885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.823885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.823885 (E_RNA)
where:
Base-Base interactions energy: -749.163
where: short stacking energy: -327.655
Base-Backbone interact. energy: 3.219
local terms energy: -413.880066
where:
bonds (distance) C4'-P energy: -85.797
bonds (distance) P-C4' energy: -88.699
flat angles C4'-P-C4' energy: -105.230
flat angles P-C4'-P energy: -65.706
tors. eta vs tors. theta energy: -68.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -716.531579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.531579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.531579 (E_RNA)
where:
Base-Base interactions energy: -413.376
where: short stacking energy: -208.719
Base-Backbone interact. energy: -0.250
local terms energy: -302.906131
where:
bonds (distance) C4'-P energy: -85.959
bonds (distance) P-C4' energy: -88.906
flat angles C4'-P-C4' energy: -63.687
flat angles P-C4'-P energy: -53.937
tors. eta vs tors. theta energy: -10.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -537.905846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.905846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.905846 (E_RNA)
where:
Base-Base interactions energy: -269.499
where: short stacking energy: -172.539
Base-Backbone interact. energy: -1.213
local terms energy: -267.194814
where:
bonds (distance) C4'-P energy: -76.719
bonds (distance) P-C4' energy: -81.114
flat angles C4'-P-C4' energy: -77.184
flat angles P-C4'-P energy: -44.521
tors. eta vs tors. theta energy: 12.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1919.204501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.204501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.204501 (E_RNA)
where:
Base-Base interactions energy: -1339.133
where: short stacking energy: -570.433
Base-Backbone interact. energy: -5.583
local terms energy: -574.488357
where:
bonds (distance) C4'-P energy: -94.523
bonds (distance) P-C4' energy: -113.255
flat angles C4'-P-C4' energy: -123.504
flat angles P-C4'-P energy: -82.211
tors. eta vs tors. theta energy: -160.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1780.586572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.586572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.586572 (E_RNA)
where:
Base-Base interactions energy: -1227.283
where: short stacking energy: -513.081
Base-Backbone interact. energy: 0.224
local terms energy: -553.527933
where:
bonds (distance) C4'-P energy: -104.319
bonds (distance) P-C4' energy: -103.348
flat angles C4'-P-C4' energy: -113.412
flat angles P-C4'-P energy: -82.288
tors. eta vs tors. theta energy: -150.161
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: 1
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1745.203924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.203924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.203924 (E_RNA)
where:
Base-Base interactions energy: -1203.770
where: short stacking energy: -505.954
Base-Backbone interact. energy: -0.326
local terms energy: -541.106972
where:
bonds (distance) C4'-P energy: -98.210
bonds (distance) P-C4' energy: -106.113
flat angles C4'-P-C4' energy: -110.234
flat angles P-C4'-P energy: -81.729
tors. eta vs tors. theta energy: -144.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1659.832348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.832348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.832348 (E_RNA)
where:
Base-Base interactions energy: -1180.196
where: short stacking energy: -496.423
Base-Backbone interact. energy: -3.758
local terms energy: -475.878528
where:
bonds (distance) C4'-P energy: -80.111
bonds (distance) P-C4' energy: -92.631
flat angles C4'-P-C4' energy: -104.741
flat angles P-C4'-P energy: -68.596
tors. eta vs tors. theta energy: -129.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1576.089937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.089937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.089937 (E_RNA)
where:
Base-Base interactions energy: -1092.179
where: short stacking energy: -458.938
Base-Backbone interact. energy: -0.338
local terms energy: -483.573835
where:
bonds (distance) C4'-P energy: -89.596
bonds (distance) P-C4' energy: -97.595
flat angles C4'-P-C4' energy: -118.753
flat angles P-C4'-P energy: -60.896
tors. eta vs tors. theta energy: -116.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1421.534501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.534501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.534501 (E_RNA)
where:
Base-Base interactions energy: -965.640
where: short stacking energy: -427.235
Base-Backbone interact. energy: -0.181
local terms energy: -455.713247
where:
bonds (distance) C4'-P energy: -88.751
bonds (distance) P-C4' energy: -80.337
flat angles C4'-P-C4' energy: -106.311
flat angles P-C4'-P energy: -65.105
tors. eta vs tors. theta energy: -115.210
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: 7, replica: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1283.885320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.885320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.885320 (E_RNA)
where:
Base-Base interactions energy: -871.707
where: short stacking energy: -374.636
Base-Backbone interact. energy: -1.137
local terms energy: -411.041202
where:
bonds (distance) C4'-P energy: -85.512
bonds (distance) P-C4' energy: -85.800
flat angles C4'-P-C4' energy: -95.980
flat angles P-C4'-P energy: -60.033
tors. eta vs tors. theta energy: -83.716
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: 7
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1210.527302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.527302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.527302 (E_RNA)
where:
Base-Base interactions energy: -802.282
where: short stacking energy: -347.937
Base-Backbone interact. energy: -1.819
local terms energy: -406.426057
where:
bonds (distance) C4'-P energy: -78.618
bonds (distance) P-C4' energy: -91.834
flat angles C4'-P-C4' energy: -87.438
flat angles P-C4'-P energy: -73.021
tors. eta vs tors. theta energy: -75.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -754.785605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.785605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.785605 (E_RNA)
where:
Base-Base interactions energy: -429.345
where: short stacking energy: -231.764
Base-Backbone interact. energy: -1.116
local terms energy: -324.324453
where:
bonds (distance) C4'-P energy: -80.552
bonds (distance) P-C4' energy: -93.491
flat angles C4'-P-C4' energy: -81.306
flat angles P-C4'-P energy: -39.832
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: 10, replica: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -567.855304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.855304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.855304 (E_RNA)
where:
Base-Base interactions energy: -258.921
where: short stacking energy: -144.876
Base-Backbone interact. energy: -0.770
local terms energy: -308.164363
where:
bonds (distance) C4'-P energy: -65.849
bonds (distance) P-C4' energy: -88.772
flat angles C4'-P-C4' energy: -82.422
flat angles P-C4'-P energy: -59.277
tors. eta vs tors. theta energy: -11.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1877.153664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.153664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.153664 (E_RNA)
where:
Base-Base interactions energy: -1310.972
where: short stacking energy: -553.624
Base-Backbone interact. energy: -1.737
local terms energy: -564.444220
where:
bonds (distance) C4'-P energy: -108.401
bonds (distance) P-C4' energy: -102.508
flat angles C4'-P-C4' energy: -117.934
flat angles P-C4'-P energy: -79.562
tors. eta vs tors. theta energy: -156.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1759.340871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.340871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.340871 (E_RNA)
where:
Base-Base interactions energy: -1257.870
where: short stacking energy: -495.765
Base-Backbone interact. energy: -4.276
local terms energy: -497.195625
where:
bonds (distance) C4'-P energy: -96.976
bonds (distance) P-C4' energy: -99.005
flat angles C4'-P-C4' energy: -106.525
flat angles P-C4'-P energy: -61.418
tors. eta vs tors. theta energy: -133.271
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: 419
Temperature: 1.000000
Total energy: -1724.454298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.454298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.454298 (E_RNA)
where:
Base-Base interactions energy: -1198.521
where: short stacking energy: -479.368
Base-Backbone interact. energy: -2.471
local terms energy: -523.462174
where:
bonds (distance) C4'-P energy: -101.824
bonds (distance) P-C4' energy: -95.671
flat angles C4'-P-C4' energy: -108.686
flat angles P-C4'-P energy: -74.523
tors. eta vs tors. theta energy: -142.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1681.709321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.709321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.709321 (E_RNA)
where:
Base-Base interactions energy: -1200.063
where: short stacking energy: -508.269
Base-Backbone interact. energy: -1.969
local terms energy: -479.677164
where:
bonds (distance) C4'-P energy: -86.052
bonds (distance) P-C4' energy: -82.194
flat angles C4'-P-C4' energy: -109.025
flat angles P-C4'-P energy: -74.931
tors. eta vs tors. theta energy: -127.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1557.979919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.979919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.979919 (E_RNA)
where:
Base-Base interactions energy: -1071.188
where: short stacking energy: -471.434
Base-Backbone interact. energy: 0.982
local terms energy: -487.774065
where:
bonds (distance) C4'-P energy: -101.382
bonds (distance) P-C4' energy: -88.181
flat angles C4'-P-C4' energy: -109.416
flat angles P-C4'-P energy: -73.955
tors. eta vs tors. theta energy: -114.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1481.865900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.865900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.865900 (E_RNA)
where:
Base-Base interactions energy: -1009.770
where: short stacking energy: -420.770
Base-Backbone interact. energy: -2.374
local terms energy: -469.722467
where:
bonds (distance) C4'-P energy: -87.918
bonds (distance) P-C4' energy: -91.124
flat angles C4'-P-C4' energy: -108.752
flat angles P-C4'-P energy: -68.570
tors. eta vs tors. theta energy: -113.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1320.117160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.117160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.117160 (E_RNA)
where:
Base-Base interactions energy: -915.536
where: short stacking energy: -367.435
Base-Backbone interact. energy: 1.961
local terms energy: -406.542643
where:
bonds (distance) C4'-P energy: -95.054
bonds (distance) P-C4' energy: -72.434
flat angles C4'-P-C4' energy: -95.363
flat angles P-C4'-P energy: -69.304
tors. eta vs tors. theta energy: -74.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1191.271734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.271734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.271734 (E_RNA)
where:
Base-Base interactions energy: -780.001
where: short stacking energy: -366.687
Base-Backbone interact. energy: 0.578
local terms energy: -411.848503
where:
bonds (distance) C4'-P energy: -78.680
bonds (distance) P-C4' energy: -85.183
flat angles C4'-P-C4' energy: -94.558
flat angles P-C4'-P energy: -66.745
tors. eta vs tors. theta energy: -86.682
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: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -731.708772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.708772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.708772 (E_RNA)
where:
Base-Base interactions energy: -422.618
where: short stacking energy: -227.255
Base-Backbone interact. energy: 2.610
local terms energy: -311.700976
where:
bonds (distance) C4'-P energy: -67.043
bonds (distance) P-C4' energy: -99.196
flat angles C4'-P-C4' energy: -84.080
flat angles P-C4'-P energy: -51.173
tors. eta vs tors. theta energy: -10.208
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: 419
Temperature: 1.350000
Total energy: -560.753100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.753100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.753100 (E_RNA)
where:
Base-Base interactions energy: -303.754
where: short stacking energy: -171.617
Base-Backbone interact. energy: -1.019
local terms energy: -255.980112
where:
bonds (distance) C4'-P energy: -68.886
bonds (distance) P-C4' energy: -85.142
flat angles C4'-P-C4' energy: -48.552
flat angles P-C4'-P energy: -43.728
tors. eta vs tors. theta energy: -9.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1927.070514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.070514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.070514 (E_RNA)
where:
Base-Base interactions energy: -1347.115
where: short stacking energy: -559.617
Base-Backbone interact. energy: -1.754
local terms energy: -578.201619
where:
bonds (distance) C4'-P energy: -106.870
bonds (distance) P-C4' energy: -107.222
flat angles C4'-P-C4' energy: -123.347
flat angles P-C4'-P energy: -83.129
tors. eta vs tors. theta energy: -157.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1765.757660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.757660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.757660 (E_RNA)
where:
Base-Base interactions energy: -1255.640
where: short stacking energy: -530.372
Base-Backbone interact. energy: 0.278
local terms energy: -510.395283
where:
bonds (distance) C4'-P energy: -99.459
bonds (distance) P-C4' energy: -100.645
flat angles C4'-P-C4' energy: -93.609
flat angles P-C4'-P energy: -79.064
tors. eta vs tors. theta energy: -137.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1730.113598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.113598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.113598 (E_RNA)
where:
Base-Base interactions energy: -1203.660
where: short stacking energy: -516.998
Base-Backbone interact. energy: 1.358
local terms energy: -527.810822
where:
bonds (distance) C4'-P energy: -97.014
bonds (distance) P-C4' energy: -87.223
flat angles C4'-P-C4' energy: -107.438
flat angles P-C4'-P energy: -85.647
tors. eta vs tors. theta energy: -150.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1683.715959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.715959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.715959 (E_RNA)
where:
Base-Base interactions energy: -1201.869
where: short stacking energy: -490.216
Base-Backbone interact. energy: -4.278
local terms energy: -477.568466
where:
bonds (distance) C4'-P energy: -100.533
bonds (distance) P-C4' energy: -81.289
flat angles C4'-P-C4' energy: -102.917
flat angles P-C4'-P energy: -78.066
tors. eta vs tors. theta energy: -114.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1528.615775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.615775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.615775 (E_RNA)
where:
Base-Base interactions energy: -1067.925
where: short stacking energy: -466.481
Base-Backbone interact. energy: -1.642
local terms energy: -459.048760
where:
bonds (distance) C4'-P energy: -82.165
bonds (distance) P-C4' energy: -95.457
flat angles C4'-P-C4' energy: -111.178
flat angles P-C4'-P energy: -60.322
tors. eta vs tors. theta energy: -109.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1520.356394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.356394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.356394 (E_RNA)
where:
Base-Base interactions energy: -1049.210
where: short stacking energy: -459.142
Base-Backbone interact. energy: -2.728
local terms energy: -468.419181
where:
bonds (distance) C4'-P energy: -96.945
bonds (distance) P-C4' energy: -85.664
flat angles C4'-P-C4' energy: -103.211
flat angles P-C4'-P energy: -59.469
tors. eta vs tors. theta energy: -123.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1290.958020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.958020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.958020 (E_RNA)
where:
Base-Base interactions energy: -855.539
where: short stacking energy: -391.185
Base-Backbone interact. energy: -2.488
local terms energy: -432.931879
where:
bonds (distance) C4'-P energy: -80.283
bonds (distance) P-C4' energy: -92.267
flat angles C4'-P-C4' energy: -107.070
flat angles P-C4'-P energy: -61.419
tors. eta vs tors. theta energy: -91.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1137.050064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.050064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.050064 (E_RNA)
where:
Base-Base interactions energy: -739.364
where: short stacking energy: -319.835
Base-Backbone interact. energy: 1.984
local terms energy: -399.670696
where:
bonds (distance) C4'-P energy: -90.176
bonds (distance) P-C4' energy: -101.709
flat angles C4'-P-C4' energy: -84.978
flat angles P-C4'-P energy: -56.849
tors. eta vs tors. theta energy: -65.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -756.450634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.450634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.450634 (E_RNA)
where:
Base-Base interactions energy: -438.278
where: short stacking energy: -220.765
Base-Backbone interact. energy: 1.584
local terms energy: -319.756896
where:
bonds (distance) C4'-P energy: -74.976
bonds (distance) P-C4' energy: -79.894
flat angles C4'-P-C4' energy: -80.039
flat angles P-C4'-P energy: -60.990
tors. eta vs tors. theta energy: -23.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -607.930694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.930694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.930694 (E_RNA)
where:
Base-Base interactions energy: -317.737
where: short stacking energy: -175.018
Base-Backbone interact. energy: 3.813
local terms energy: -294.006802
where:
bonds (distance) C4'-P energy: -66.458
bonds (distance) P-C4' energy: -92.613
flat angles C4'-P-C4' energy: -80.425
flat angles P-C4'-P energy: -49.302
tors. eta vs tors. theta energy: -5.210
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: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1905.575791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.575791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.575791 (E_RNA)
where:
Base-Base interactions energy: -1356.399
where: short stacking energy: -552.234
Base-Backbone interact. energy: 0.528
local terms energy: -549.704651
where:
bonds (distance) C4'-P energy: -99.551
bonds (distance) P-C4' energy: -100.150
flat angles C4'-P-C4' energy: -115.489
flat angles P-C4'-P energy: -81.849
tors. eta vs tors. theta energy: -152.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1790.135937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.135937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.135937 (E_RNA)
where:
Base-Base interactions energy: -1255.951
where: short stacking energy: -520.034
Base-Backbone interact. energy: 0.687
local terms energy: -534.872170
where:
bonds (distance) C4'-P energy: -95.661
bonds (distance) P-C4' energy: -112.964
flat angles C4'-P-C4' energy: -112.724
flat angles P-C4'-P energy: -76.105
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: 3, replica: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1725.807180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.807180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.807180 (E_RNA)
where:
Base-Base interactions energy: -1201.131
where: short stacking energy: -508.082
Base-Backbone interact. energy: -0.448
local terms energy: -524.228547
where:
bonds (distance) C4'-P energy: -100.522
bonds (distance) P-C4' energy: -97.171
flat angles C4'-P-C4' energy: -107.482
flat angles P-C4'-P energy: -78.566
tors. eta vs tors. theta energy: -140.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1662.451077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.451077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.451077 (E_RNA)
where:
Base-Base interactions energy: -1170.732
where: short stacking energy: -485.612
Base-Backbone interact. energy: -3.469
local terms energy: -488.249953
where:
bonds (distance) C4'-P energy: -93.194
bonds (distance) P-C4' energy: -92.063
flat angles C4'-P-C4' energy: -107.819
flat angles P-C4'-P energy: -72.985
tors. eta vs tors. theta energy: -122.189
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: 421
Temperature: 1.100000
Total energy: -1523.558078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.558078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.558078 (E_RNA)
where:
Base-Base interactions energy: -1068.086
where: short stacking energy: -446.629
Base-Backbone interact. energy: -0.834
local terms energy: -454.638425
where:
bonds (distance) C4'-P energy: -92.240
bonds (distance) P-C4' energy: -89.291
flat angles C4'-P-C4' energy: -98.106
flat angles P-C4'-P energy: -68.802
tors. eta vs tors. theta energy: -106.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1502.773824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.773824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.773824 (E_RNA)
where:
Base-Base interactions energy: -1068.060
where: short stacking energy: -451.091
Base-Backbone interact. energy: -4.091
local terms energy: -430.622452
where:
bonds (distance) C4'-P energy: -82.502
bonds (distance) P-C4' energy: -86.444
flat angles C4'-P-C4' energy: -104.901
flat angles P-C4'-P energy: -44.316
tors. eta vs tors. theta energy: -112.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1286.311048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.311048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.311048 (E_RNA)
where:
Base-Base interactions energy: -859.140
where: short stacking energy: -368.832
Base-Backbone interact. energy: 0.269
local terms energy: -427.440298
where:
bonds (distance) C4'-P energy: -100.404
bonds (distance) P-C4' energy: -102.179
flat angles C4'-P-C4' energy: -89.577
flat angles P-C4'-P energy: -43.864
tors. eta vs tors. theta energy: -91.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1170.805222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.805222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.805222 (E_RNA)
where:
Base-Base interactions energy: -762.292
where: short stacking energy: -344.418
Base-Backbone interact. energy: 4.852
local terms energy: -413.365575
where:
bonds (distance) C4'-P energy: -97.400
bonds (distance) P-C4' energy: -83.312
flat angles C4'-P-C4' energy: -101.548
flat angles P-C4'-P energy: -52.881
tors. eta vs tors. theta energy: -78.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -779.538646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.538646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.538646 (E_RNA)
where:
Base-Base interactions energy: -460.898
where: short stacking energy: -229.247
Base-Backbone interact. energy: -1.281
local terms energy: -317.360057
where:
bonds (distance) C4'-P energy: -75.617
bonds (distance) P-C4' energy: -80.198
flat angles C4'-P-C4' energy: -94.920
flat angles P-C4'-P energy: -45.804
tors. eta vs tors. theta energy: -20.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -602.135915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.135915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.135915 (E_RNA)
where:
Base-Base interactions energy: -304.008
where: short stacking energy: -160.111
Base-Backbone interact. energy: -0.217
local terms energy: -297.911515
where:
bonds (distance) C4'-P energy: -95.621
bonds (distance) P-C4' energy: -104.579
flat angles C4'-P-C4' energy: -57.313
flat angles P-C4'-P energy: -47.042
tors. eta vs tors. theta energy: 6.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1897.968773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.968773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.968773 (E_RNA)
where:
Base-Base interactions energy: -1313.890
where: short stacking energy: -546.728
Base-Backbone interact. energy: -2.023
local terms energy: -582.055409
where:
bonds (distance) C4'-P energy: -112.480
bonds (distance) P-C4' energy: -107.188
flat angles C4'-P-C4' energy: -118.485
flat angles P-C4'-P energy: -81.017
tors. eta vs tors. theta energy: -162.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1792.802850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.802850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.802850 (E_RNA)
where:
Base-Base interactions energy: -1279.564
where: short stacking energy: -510.171
Base-Backbone interact. energy: -2.792
local terms energy: -510.446613
where:
bonds (distance) C4'-P energy: -89.963
bonds (distance) P-C4' energy: -100.403
flat angles C4'-P-C4' energy: -115.803
flat angles P-C4'-P energy: -71.642
tors. eta vs tors. theta energy: -132.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1748.332590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.332590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.332590 (E_RNA)
where:
Base-Base interactions energy: -1207.719
where: short stacking energy: -523.950
Base-Backbone interact. energy: -2.550
local terms energy: -538.063498
where:
bonds (distance) C4'-P energy: -103.893
bonds (distance) P-C4' energy: -95.304
flat angles C4'-P-C4' energy: -113.808
flat angles P-C4'-P energy: -81.920
tors. eta vs tors. theta energy: -143.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1657.351030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.351030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.351030 (E_RNA)
where:
Base-Base interactions energy: -1149.287
where: short stacking energy: -480.531
Base-Backbone interact. energy: -3.692
local terms energy: -504.372559
where:
bonds (distance) C4'-P energy: -96.456
bonds (distance) P-C4' energy: -106.175
flat angles C4'-P-C4' energy: -115.045
flat angles P-C4'-P energy: -63.191
tors. eta vs tors. theta energy: -123.506
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: 5, replica: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1537.593381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.593381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.593381 (E_RNA)
where:
Base-Base interactions energy: -1042.878
where: short stacking energy: -438.970
Base-Backbone interact. energy: -1.404
local terms energy: -493.312093
where:
bonds (distance) C4'-P energy: -93.872
bonds (distance) P-C4' energy: -99.004
flat angles C4'-P-C4' energy: -106.389
flat angles P-C4'-P energy: -68.989
tors. eta vs tors. theta energy: -125.058
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: 4
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1470.922461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.922461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.922461 (E_RNA)
where:
Base-Base interactions energy: -1024.330
where: short stacking energy: -425.048
Base-Backbone interact. energy: -0.916
local terms energy: -445.676894
where:
bonds (distance) C4'-P energy: -96.161
bonds (distance) P-C4' energy: -87.292
flat angles C4'-P-C4' energy: -109.681
flat angles P-C4'-P energy: -53.216
tors. eta vs tors. theta energy: -99.328
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: 7, replica: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1290.508300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.508300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.508300 (E_RNA)
where:
Base-Base interactions energy: -847.556
where: short stacking energy: -373.087
Base-Backbone interact. energy: -1.860
local terms energy: -441.092365
where:
bonds (distance) C4'-P energy: -80.913
bonds (distance) P-C4' energy: -93.223
flat angles C4'-P-C4' energy: -106.964
flat angles P-C4'-P energy: -63.960
tors. eta vs tors. theta energy: -96.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1112.247501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.247501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.247501 (E_RNA)
where:
Base-Base interactions energy: -724.098
where: short stacking energy: -322.591
Base-Backbone interact. energy: 1.455
local terms energy: -389.604575
where:
bonds (distance) C4'-P energy: -84.251
bonds (distance) P-C4' energy: -96.310
flat angles C4'-P-C4' energy: -83.111
flat angles P-C4'-P energy: -57.778
tors. eta vs tors. theta energy: -68.155
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: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -808.351170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.351170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.351170 (E_RNA)
where:
Base-Base interactions energy: -487.810
where: short stacking energy: -238.784
Base-Backbone interact. energy: -2.282
local terms energy: -318.259661
where:
bonds (distance) C4'-P energy: -79.908
bonds (distance) P-C4' energy: -86.000
flat angles C4'-P-C4' energy: -73.924
flat angles P-C4'-P energy: -54.530
tors. eta vs tors. theta energy: -23.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -582.755006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.755006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.755006 (E_RNA)
where:
Base-Base interactions energy: -297.525
where: short stacking energy: -188.320
Base-Backbone interact. energy: -1.652
local terms energy: -283.577703
where:
bonds (distance) C4'-P energy: -87.801
bonds (distance) P-C4' energy: -83.015
flat angles C4'-P-C4' energy: -77.287
flat angles P-C4'-P energy: -29.385
tors. eta vs tors. theta energy: -6.090
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: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1867.824605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.824605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.824605 (E_RNA)
where:
Base-Base interactions energy: -1298.091
where: short stacking energy: -549.236
Base-Backbone interact. energy: -1.358
local terms energy: -568.375065
where:
bonds (distance) C4'-P energy: -103.552
bonds (distance) P-C4' energy: -115.695
flat angles C4'-P-C4' energy: -117.402
flat angles P-C4'-P energy: -78.086
tors. eta vs tors. theta energy: -153.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1766.516030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.516030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.516030 (E_RNA)
where:
Base-Base interactions energy: -1254.187
where: short stacking energy: -517.139
Base-Backbone interact. energy: -2.680
local terms energy: -509.648574
where:
bonds (distance) C4'-P energy: -97.336
bonds (distance) P-C4' energy: -90.559
flat angles C4'-P-C4' energy: -108.760
flat angles P-C4'-P energy: -79.087
tors. eta vs tors. theta energy: -133.905
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: 3, replica: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1771.948993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.948993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.948993 (E_RNA)
where:
Base-Base interactions energy: -1240.315
where: short stacking energy: -507.448
Base-Backbone interact. energy: 0.178
local terms energy: -531.812430
where:
bonds (distance) C4'-P energy: -103.103
bonds (distance) P-C4' energy: -102.807
flat angles C4'-P-C4' energy: -110.149
flat angles P-C4'-P energy: -81.718
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: 5
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1672.378569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.378569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.378569 (E_RNA)
where:
Base-Base interactions energy: -1183.019
where: short stacking energy: -479.218
Base-Backbone interact. energy: -1.978
local terms energy: -487.381808
where:
bonds (distance) C4'-P energy: -81.942
bonds (distance) P-C4' energy: -90.104
flat angles C4'-P-C4' energy: -123.531
flat angles P-C4'-P energy: -68.410
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: 5, replica: 6
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1570.230559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.230559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.230559 (E_RNA)
where:
Base-Base interactions energy: -1052.249
where: short stacking energy: -451.765
Base-Backbone interact. energy: -1.671
local terms energy: -516.310158
where:
bonds (distance) C4'-P energy: -101.916
bonds (distance) P-C4' energy: -104.015
flat angles C4'-P-C4' energy: -104.377
flat angles P-C4'-P energy: -80.794
tors. eta vs tors. theta energy: -125.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1457.955789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.955789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.955789 (E_RNA)
where:
Base-Base interactions energy: -996.709
where: short stacking energy: -422.156
Base-Backbone interact. energy: -2.536
local terms energy: -458.711395
where:
bonds (distance) C4'-P energy: -83.760
bonds (distance) P-C4' energy: -102.629
flat angles C4'-P-C4' energy: -102.335
flat angles P-C4'-P energy: -55.756
tors. eta vs tors. theta energy: -114.232
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: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1266.353554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.353554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.353554 (E_RNA)
where:
Base-Base interactions energy: -851.982
where: short stacking energy: -351.391
Base-Backbone interact. energy: -2.497
local terms energy: -411.874186
where:
bonds (distance) C4'-P energy: -90.469
bonds (distance) P-C4' energy: -84.259
flat angles C4'-P-C4' energy: -94.756
flat angles P-C4'-P energy: -61.617
tors. eta vs tors. theta energy: -80.774
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: 7
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1137.472430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.472430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.472430 (E_RNA)
where:
Base-Base interactions energy: -727.769
where: short stacking energy: -315.947
Base-Backbone interact. energy: 4.246
local terms energy: -413.949827
where:
bonds (distance) C4'-P energy: -98.560
bonds (distance) P-C4' energy: -81.101
flat angles C4'-P-C4' energy: -104.734
flat angles P-C4'-P energy: -60.228
tors. eta vs tors. theta energy: -69.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -772.632468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.632468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.632468 (E_RNA)
where:
Base-Base interactions energy: -442.004
where: short stacking energy: -220.556
Base-Backbone interact. energy: 0.088
local terms energy: -330.716501
where:
bonds (distance) C4'-P energy: -77.812
bonds (distance) P-C4' energy: -94.804
flat angles C4'-P-C4' energy: -86.476
flat angles P-C4'-P energy: -46.471
tors. eta vs tors. theta energy: -25.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -567.273784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.273784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.273784 (E_RNA)
where:
Base-Base interactions energy: -261.704
where: short stacking energy: -149.468
Base-Backbone interact. energy: -0.337
local terms energy: -305.232394
where:
bonds (distance) C4'-P energy: -89.216
bonds (distance) P-C4' energy: -88.650
flat angles C4'-P-C4' energy: -82.882
flat angles P-C4'-P energy: -40.293
tors. eta vs tors. theta energy: -4.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1890.589152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.589152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.589152 (E_RNA)
where:
Base-Base interactions energy: -1330.259
where: short stacking energy: -562.614
Base-Backbone interact. energy: 0.322
local terms energy: -560.652194
where:
bonds (distance) C4'-P energy: -110.480
bonds (distance) P-C4' energy: -100.432
flat angles C4'-P-C4' energy: -117.639
flat angles P-C4'-P energy: -79.999
tors. eta vs tors. theta energy: -152.102
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: 2, replica: 1
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1769.050028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.050028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.050028 (E_RNA)
where:
Base-Base interactions energy: -1249.775
where: short stacking energy: -528.454
Base-Backbone interact. energy: -1.403
local terms energy: -517.871981
where:
bonds (distance) C4'-P energy: -91.729
bonds (distance) P-C4' energy: -101.133
flat angles C4'-P-C4' energy: -113.812
flat angles P-C4'-P energy: -68.916
tors. eta vs tors. theta energy: -142.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1736.927093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.927093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.927093 (E_RNA)
where:
Base-Base interactions energy: -1210.612
where: short stacking energy: -498.026
Base-Backbone interact. energy: -0.125
local terms energy: -526.189959
where:
bonds (distance) C4'-P energy: -89.852
bonds (distance) P-C4' energy: -96.041
flat angles C4'-P-C4' energy: -124.909
flat angles P-C4'-P energy: -80.535
tors. eta vs tors. theta energy: -134.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1683.727902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.727902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.727902 (E_RNA)
where:
Base-Base interactions energy: -1173.544
where: short stacking energy: -471.210
Base-Backbone interact. energy: -3.051
local terms energy: -507.132323
where:
bonds (distance) C4'-P energy: -101.750
bonds (distance) P-C4' energy: -95.759
flat angles C4'-P-C4' energy: -110.809
flat angles P-C4'-P energy: -75.549
tors. eta vs tors. theta energy: -123.265
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: 6
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1559.390396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.390396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.390396 (E_RNA)
where:
Base-Base interactions energy: -1045.384
where: short stacking energy: -463.051
Base-Backbone interact. energy: -3.051
local terms energy: -510.954885
where:
bonds (distance) C4'-P energy: -90.670
bonds (distance) P-C4' energy: -100.486
flat angles C4'-P-C4' energy: -121.239
flat angles P-C4'-P energy: -68.622
tors. eta vs tors. theta energy: -129.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1479.029282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.029282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.029282 (E_RNA)
where:
Base-Base interactions energy: -1034.950
where: short stacking energy: -421.245
Base-Backbone interact. energy: -1.144
local terms energy: -442.935684
where:
bonds (distance) C4'-P energy: -93.113
bonds (distance) P-C4' energy: -80.859
flat angles C4'-P-C4' energy: -89.830
flat angles P-C4'-P energy: -68.622
tors. eta vs tors. theta energy: -110.511
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: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1258.913256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.913256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.913256 (E_RNA)
where:
Base-Base interactions energy: -864.807
where: short stacking energy: -377.648
Base-Backbone interact. energy: 7.750
local terms energy: -401.856938
where:
bonds (distance) C4'-P energy: -71.899
bonds (distance) P-C4' energy: -98.776
flat angles C4'-P-C4' energy: -87.498
flat angles P-C4'-P energy: -55.141
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: 8, replica: 7
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1170.524499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.524499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.524499 (E_RNA)
where:
Base-Base interactions energy: -801.233
where: short stacking energy: -339.255
Base-Backbone interact. energy: 2.686
local terms energy: -371.977883
where:
bonds (distance) C4'-P energy: -76.802
bonds (distance) P-C4' energy: -78.611
flat angles C4'-P-C4' energy: -92.485
flat angles P-C4'-P energy: -44.113
tors. eta vs tors. theta energy: -79.967
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: 424
Temperature: 1.300000
Total energy: -678.601451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.601451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.601451 (E_RNA)
where:
Base-Base interactions energy: -358.746
where: short stacking energy: -181.111
Base-Backbone interact. energy: -0.094
local terms energy: -319.761611
where:
bonds (distance) C4'-P energy: -91.467
bonds (distance) P-C4' energy: -78.244
flat angles C4'-P-C4' energy: -94.613
flat angles P-C4'-P energy: -45.588
tors. eta vs tors. theta energy: -9.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -721.654176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.654176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.654176 (E_RNA)
where:
Base-Base interactions energy: -394.687
where: short stacking energy: -202.032
Base-Backbone interact. energy: -1.252
local terms energy: -325.714733
where:
bonds (distance) C4'-P energy: -84.775
bonds (distance) P-C4' energy: -92.466
flat angles C4'-P-C4' energy: -80.677
flat angles P-C4'-P energy: -34.926
tors. eta vs tors. theta energy: -32.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1885.804539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.804539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.804539 (E_RNA)
where:
Base-Base interactions energy: -1307.831
where: short stacking energy: -555.849
Base-Backbone interact. energy: 1.574
local terms energy: -579.546984
where:
bonds (distance) C4'-P energy: -98.987
bonds (distance) P-C4' energy: -108.570
flat angles C4'-P-C4' energy: -122.043
flat angles P-C4'-P energy: -87.509
tors. eta vs tors. theta energy: -162.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1779.158770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.158770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.158770 (E_RNA)
where:
Base-Base interactions energy: -1254.354
where: short stacking energy: -514.530
Base-Backbone interact. energy: -0.193
local terms energy: -524.611662
where:
bonds (distance) C4'-P energy: -92.136
bonds (distance) P-C4' energy: -107.099
flat angles C4'-P-C4' energy: -113.255
flat angles P-C4'-P energy: -81.137
tors. eta vs tors. theta energy: -130.985
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: 425
Temperature: 1.000000
Total energy: -1723.544561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.544561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.544561 (E_RNA)
where:
Base-Base interactions energy: -1208.779
where: short stacking energy: -515.090
Base-Backbone interact. energy: 1.483
local terms energy: -516.247758
where:
bonds (distance) C4'-P energy: -96.774
bonds (distance) P-C4' energy: -99.258
flat angles C4'-P-C4' energy: -119.249
flat angles P-C4'-P energy: -68.377
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: 4, replica: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1649.705619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.705619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.705619 (E_RNA)
where:
Base-Base interactions energy: -1128.237
where: short stacking energy: -454.587
Base-Backbone interact. energy: -0.726
local terms energy: -520.743056
where:
bonds (distance) C4'-P energy: -104.620
bonds (distance) P-C4' energy: -105.245
flat angles C4'-P-C4' energy: -106.531
flat angles P-C4'-P energy: -79.209
tors. eta vs tors. theta energy: -125.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1533.656571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.656571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.656571 (E_RNA)
where:
Base-Base interactions energy: -1029.348
where: short stacking energy: -442.169
Base-Backbone interact. energy: -1.655
local terms energy: -502.653340
where:
bonds (distance) C4'-P energy: -98.016
bonds (distance) P-C4' energy: -102.800
flat angles C4'-P-C4' energy: -112.558
flat angles P-C4'-P energy: -73.216
tors. eta vs tors. theta energy: -116.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1467.550005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.550005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.550005 (E_RNA)
where:
Base-Base interactions energy: -1007.837
where: short stacking energy: -433.836
Base-Backbone interact. energy: -4.252
local terms energy: -455.461409
where:
bonds (distance) C4'-P energy: -77.143
bonds (distance) P-C4' energy: -89.265
flat angles C4'-P-C4' energy: -103.669
flat angles P-C4'-P energy: -68.315
tors. eta vs tors. theta energy: -117.071
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: 8
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1258.164178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.164178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.164178 (E_RNA)
where:
Base-Base interactions energy: -824.248
where: short stacking energy: -366.467
Base-Backbone interact. energy: -3.214
local terms energy: -430.702340
where:
bonds (distance) C4'-P energy: -100.620
bonds (distance) P-C4' energy: -82.829
flat angles C4'-P-C4' energy: -97.771
flat angles P-C4'-P energy: -61.641
tors. eta vs tors. theta energy: -87.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1150.108043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.108043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.108043 (E_RNA)
where:
Base-Base interactions energy: -776.265
where: short stacking energy: -338.124
Base-Backbone interact. energy: -1.581
local terms energy: -372.261316
where:
bonds (distance) C4'-P energy: -81.075
bonds (distance) P-C4' energy: -89.609
flat angles C4'-P-C4' energy: -91.788
flat angles P-C4'-P energy: -52.286
tors. eta vs tors. theta energy: -57.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -658.317148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.317148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.317148 (E_RNA)
where:
Base-Base interactions energy: -344.777
where: short stacking energy: -178.310
Base-Backbone interact. energy: -2.433
local terms energy: -311.106842
where:
bonds (distance) C4'-P energy: -82.878
bonds (distance) P-C4' energy: -91.683
flat angles C4'-P-C4' energy: -87.762
flat angles P-C4'-P energy: -47.561
tors. eta vs tors. theta energy: -1.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -716.782458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.782458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.782458 (E_RNA)
where:
Base-Base interactions energy: -415.299
where: short stacking energy: -181.607
Base-Backbone interact. energy: -1.180
local terms energy: -300.303124
where:
bonds (distance) C4'-P energy: -74.018
bonds (distance) P-C4' energy: -78.942
flat angles C4'-P-C4' energy: -90.089
flat angles P-C4'-P energy: -43.930
tors. eta vs tors. theta energy: -13.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1882.974254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.974254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.974254 (E_RNA)
where:
Base-Base interactions energy: -1299.423
where: short stacking energy: -556.825
Base-Backbone interact. energy: -2.556
local terms energy: -580.994969
where:
bonds (distance) C4'-P energy: -109.765
bonds (distance) P-C4' energy: -113.408
flat angles C4'-P-C4' energy: -110.270
flat angles P-C4'-P energy: -86.529
tors. eta vs tors. theta energy: -161.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1781.740307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.740307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.740307 (E_RNA)
where:
Base-Base interactions energy: -1246.882
where: short stacking energy: -519.830
Base-Backbone interact. energy: -3.987
local terms energy: -530.871812
where:
bonds (distance) C4'-P energy: -98.723
bonds (distance) P-C4' energy: -98.556
flat angles C4'-P-C4' energy: -116.045
flat angles P-C4'-P energy: -80.591
tors. eta vs tors. theta energy: -136.956
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: 1
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1695.114709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.114709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.114709 (E_RNA)
where:
Base-Base interactions energy: -1201.193
where: short stacking energy: -507.806
Base-Backbone interact. energy: -2.136
local terms energy: -491.785435
where:
bonds (distance) C4'-P energy: -79.264
bonds (distance) P-C4' energy: -100.464
flat angles C4'-P-C4' energy: -99.281
flat angles P-C4'-P energy: -76.799
tors. eta vs tors. theta energy: -135.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1653.546240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.546240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.546240 (E_RNA)
where:
Base-Base interactions energy: -1154.878
where: short stacking energy: -473.809
Base-Backbone interact. energy: 5.397
local terms energy: -504.064856
where:
bonds (distance) C4'-P energy: -84.148
bonds (distance) P-C4' energy: -105.146
flat angles C4'-P-C4' energy: -113.697
flat angles P-C4'-P energy: -75.456
tors. eta vs tors. theta energy: -125.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1589.888585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.888585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.888585 (E_RNA)
where:
Base-Base interactions energy: -1106.487
where: short stacking energy: -466.287
Base-Backbone interact. energy: -0.451
local terms energy: -482.949900
where:
bonds (distance) C4'-P energy: -95.449
bonds (distance) P-C4' energy: -84.400
flat angles C4'-P-C4' energy: -112.148
flat angles P-C4'-P energy: -70.278
tors. eta vs tors. theta energy: -120.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1483.747919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.747919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.747919 (E_RNA)
where:
Base-Base interactions energy: -992.018
where: short stacking energy: -407.699
Base-Backbone interact. energy: -2.674
local terms energy: -489.056700
where:
bonds (distance) C4'-P energy: -103.802
bonds (distance) P-C4' energy: -107.385
flat angles C4'-P-C4' energy: -111.542
flat angles P-C4'-P energy: -54.092
tors. eta vs tors. theta energy: -112.236
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: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1259.110407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.110407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.110407 (E_RNA)
where:
Base-Base interactions energy: -823.455
where: short stacking energy: -380.626
Base-Backbone interact. energy: 0.349
local terms energy: -436.004041
where:
bonds (distance) C4'-P energy: -79.375
bonds (distance) P-C4' energy: -94.689
flat angles C4'-P-C4' energy: -91.608
flat angles P-C4'-P energy: -79.974
tors. eta vs tors. theta energy: -90.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1113.034557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.034557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.034557 (E_RNA)
where:
Base-Base interactions energy: -714.357
where: short stacking energy: -308.160
Base-Backbone interact. energy: -1.414
local terms energy: -397.264187
where:
bonds (distance) C4'-P energy: -79.952
bonds (distance) P-C4' energy: -91.503
flat angles C4'-P-C4' energy: -100.659
flat angles P-C4'-P energy: -57.466
tors. eta vs tors. theta energy: -67.684
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: 9
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -769.522285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.522285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.522285 (E_RNA)
where:
Base-Base interactions energy: -413.468
where: short stacking energy: -218.378
Base-Backbone interact. energy: 4.167
local terms energy: -360.220779
where:
bonds (distance) C4'-P energy: -101.311
bonds (distance) P-C4' energy: -98.622
flat angles C4'-P-C4' energy: -78.344
flat angles P-C4'-P energy: -44.202
tors. eta vs tors. theta energy: -37.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -635.279598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.279598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.279598 (E_RNA)
where:
Base-Base interactions energy: -333.806
where: short stacking energy: -200.867
Base-Backbone interact. energy: -2.575
local terms energy: -298.898039
where:
bonds (distance) C4'-P energy: -79.467
bonds (distance) P-C4' energy: -86.400
flat angles C4'-P-C4' energy: -53.472
flat angles P-C4'-P energy: -59.962
tors. eta vs tors. theta energy: -19.597
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: 427
Temperature: 0.900000
Total energy: -1891.840631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.840631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.840631 (E_RNA)
where:
Base-Base interactions energy: -1303.319
where: short stacking energy: -548.848
Base-Backbone interact. energy: -5.108
local terms energy: -583.413477
where:
bonds (distance) C4'-P energy: -108.921
bonds (distance) P-C4' energy: -104.975
flat angles C4'-P-C4' energy: -124.684
flat angles P-C4'-P energy: -84.660
tors. eta vs tors. theta energy: -160.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1783.682336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.682336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.682336 (E_RNA)
where:
Base-Base interactions energy: -1270.929
where: short stacking energy: -512.345
Base-Backbone interact. energy: -0.566
local terms energy: -512.187662
where:
bonds (distance) C4'-P energy: -102.960
bonds (distance) P-C4' energy: -103.396
flat angles C4'-P-C4' energy: -100.780
flat angles P-C4'-P energy: -64.622
tors. eta vs tors. theta energy: -140.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1726.100671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.100671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.100671 (E_RNA)
where:
Base-Base interactions energy: -1182.817
where: short stacking energy: -518.750
Base-Backbone interact. energy: -1.312
local terms energy: -541.971937
where:
bonds (distance) C4'-P energy: -93.761
bonds (distance) P-C4' energy: -93.488
flat angles C4'-P-C4' energy: -122.857
flat angles P-C4'-P energy: -82.716
tors. eta vs tors. theta energy: -149.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1651.863850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.863850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.863850 (E_RNA)
where:
Base-Base interactions energy: -1174.020
where: short stacking energy: -482.140
Base-Backbone interact. energy: 1.089
local terms energy: -478.933400
where:
bonds (distance) C4'-P energy: -108.626
bonds (distance) P-C4' energy: -90.292
flat angles C4'-P-C4' energy: -96.725
flat angles P-C4'-P energy: -57.443
tors. eta vs tors. theta energy: -125.848
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: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1563.393974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.393974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.393974 (E_RNA)
where:
Base-Base interactions energy: -1070.490
where: short stacking energy: -463.943
Base-Backbone interact. energy: -2.151
local terms energy: -490.752496
where:
bonds (distance) C4'-P energy: -88.521
bonds (distance) P-C4' energy: -103.699
flat angles C4'-P-C4' energy: -103.781
flat angles P-C4'-P energy: -68.183
tors. eta vs tors. theta energy: -126.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1357.111370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.111370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.111370 (E_RNA)
where:
Base-Base interactions energy: -920.852
where: short stacking energy: -388.450
Base-Backbone interact. energy: 2.518
local terms energy: -438.778075
where:
bonds (distance) C4'-P energy: -92.712
bonds (distance) P-C4' energy: -82.423
flat angles C4'-P-C4' energy: -102.090
flat angles P-C4'-P energy: -69.163
tors. eta vs tors. theta energy: -92.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1361.524604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.524604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.524604 (E_RNA)
where:
Base-Base interactions energy: -960.921
where: short stacking energy: -390.105
Base-Backbone interact. energy: -2.704
local terms energy: -397.899443
where:
bonds (distance) C4'-P energy: -75.719
bonds (distance) P-C4' energy: -89.220
flat angles C4'-P-C4' energy: -88.280
flat angles P-C4'-P energy: -52.626
tors. eta vs tors. theta energy: -92.054
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: 427
Temperature: 1.250000
Total energy: -1162.866287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.866287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.866287 (E_RNA)
where:
Base-Base interactions energy: -768.287
where: short stacking energy: -340.844
Base-Backbone interact. energy: 0.272
local terms energy: -394.852093
where:
bonds (distance) C4'-P energy: -83.057
bonds (distance) P-C4' energy: -87.467
flat angles C4'-P-C4' energy: -83.184
flat angles P-C4'-P energy: -67.154
tors. eta vs tors. theta energy: -73.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -744.476069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.476069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.476069 (E_RNA)
where:
Base-Base interactions energy: -400.068
where: short stacking energy: -216.431
Base-Backbone interact. energy: -1.000
local terms energy: -343.408659
where:
bonds (distance) C4'-P energy: -78.132
bonds (distance) P-C4' energy: -102.708
flat angles C4'-P-C4' energy: -83.014
flat angles P-C4'-P energy: -51.036
tors. eta vs tors. theta energy: -28.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -634.888035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.888035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.888035 (E_RNA)
where:
Base-Base interactions energy: -363.912
where: short stacking energy: -194.521
Base-Backbone interact. energy: -1.151
local terms energy: -269.824474
where:
bonds (distance) C4'-P energy: -69.651
bonds (distance) P-C4' energy: -83.983
flat angles C4'-P-C4' energy: -69.932
flat angles P-C4'-P energy: -42.090
tors. eta vs tors. theta energy: -4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1903.084614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.084614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.084614 (E_RNA)
where:
Base-Base interactions energy: -1324.251
where: short stacking energy: -560.128
Base-Backbone interact. energy: -2.759
local terms energy: -576.075447
where:
bonds (distance) C4'-P energy: -116.745
bonds (distance) P-C4' energy: -99.884
flat angles C4'-P-C4' energy: -125.068
flat angles P-C4'-P energy: -77.172
tors. eta vs tors. theta energy: -157.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1762.785793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.785793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.785793 (E_RNA)
where:
Base-Base interactions energy: -1259.643
where: short stacking energy: -526.476
Base-Backbone interact. energy: -1.711
local terms energy: -501.431859
where:
bonds (distance) C4'-P energy: -86.724
bonds (distance) P-C4' energy: -80.638
flat angles C4'-P-C4' energy: -117.018
flat angles P-C4'-P energy: -78.489
tors. eta vs tors. theta energy: -138.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1732.765316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.765316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.765316 (E_RNA)
where:
Base-Base interactions energy: -1214.279
where: short stacking energy: -514.466
Base-Backbone interact. energy: -2.701
local terms energy: -515.784408
where:
bonds (distance) C4'-P energy: -90.578
bonds (distance) P-C4' energy: -91.082
flat angles C4'-P-C4' energy: -102.388
flat angles P-C4'-P energy: -84.138
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: 5
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1677.423966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.423966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.423966 (E_RNA)
where:
Base-Base interactions energy: -1171.485
where: short stacking energy: -501.419
Base-Backbone interact. energy: 2.670
local terms energy: -508.608772
where:
bonds (distance) C4'-P energy: -103.219
bonds (distance) P-C4' energy: -95.400
flat angles C4'-P-C4' energy: -100.451
flat angles P-C4'-P energy: -70.538
tors. eta vs tors. theta energy: -139.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1554.024443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.024443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.024443 (E_RNA)
where:
Base-Base interactions energy: -1074.236
where: short stacking energy: -468.460
Base-Backbone interact. energy: -1.719
local terms energy: -478.069820
where:
bonds (distance) C4'-P energy: -88.147
bonds (distance) P-C4' energy: -95.379
flat angles C4'-P-C4' energy: -98.722
flat angles P-C4'-P energy: -73.262
tors. eta vs tors. theta energy: -122.560
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: 8
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1369.432456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.432456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.432456 (E_RNA)
where:
Base-Base interactions energy: -922.726
where: short stacking energy: -398.679
Base-Backbone interact. energy: -1.921
local terms energy: -444.785895
where:
bonds (distance) C4'-P energy: -91.042
bonds (distance) P-C4' energy: -93.695
flat angles C4'-P-C4' energy: -103.122
flat angles P-C4'-P energy: -65.376
tors. eta vs tors. theta energy: -91.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1397.864734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.864734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.864734 (E_RNA)
where:
Base-Base interactions energy: -971.604
where: short stacking energy: -392.704
Base-Backbone interact. energy: -3.038
local terms energy: -423.222473
where:
bonds (distance) C4'-P energy: -74.263
bonds (distance) P-C4' energy: -96.778
flat angles C4'-P-C4' energy: -98.893
flat angles P-C4'-P energy: -50.424
tors. eta vs tors. theta energy: -102.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1126.598558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.598558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.598558 (E_RNA)
where:
Base-Base interactions energy: -755.639
where: short stacking energy: -303.441
Base-Backbone interact. energy: 1.890
local terms energy: -372.849716
where:
bonds (distance) C4'-P energy: -78.017
bonds (distance) P-C4' energy: -83.917
flat angles C4'-P-C4' energy: -97.442
flat angles P-C4'-P energy: -49.055
tors. eta vs tors. theta energy: -64.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -704.822850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.822850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.822850 (E_RNA)
where:
Base-Base interactions energy: -373.624
where: short stacking energy: -224.027
Base-Backbone interact. energy: -1.653
local terms energy: -329.546109
where:
bonds (distance) C4'-P energy: -88.735
bonds (distance) P-C4' energy: -85.308
flat angles C4'-P-C4' energy: -84.395
flat angles P-C4'-P energy: -43.039
tors. eta vs tors. theta energy: -28.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -717.750921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.750921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.750921 (E_RNA)
where:
Base-Base interactions energy: -398.265
where: short stacking energy: -219.075
Base-Backbone interact. energy: -0.181
local terms energy: -319.304754
where:
bonds (distance) C4'-P energy: -75.886
bonds (distance) P-C4' energy: -94.756
flat angles C4'-P-C4' energy: -90.768
flat angles P-C4'-P energy: -40.158
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1902.369749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.369749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.369749 (E_RNA)
where:
Base-Base interactions energy: -1347.386
where: short stacking energy: -549.644
Base-Backbone interact. energy: 2.699
local terms energy: -557.682661
where:
bonds (distance) C4'-P energy: -98.697
bonds (distance) P-C4' energy: -102.627
flat angles C4'-P-C4' energy: -125.753
flat angles P-C4'-P energy: -72.513
tors. eta vs tors. theta energy: -158.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1777.546732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.546732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.546732 (E_RNA)
where:
Base-Base interactions energy: -1215.979
where: short stacking energy: -509.501
Base-Backbone interact. energy: 2.811
local terms energy: -564.377855
where:
bonds (distance) C4'-P energy: -97.887
bonds (distance) P-C4' energy: -110.204
flat angles C4'-P-C4' energy: -125.203
flat angles P-C4'-P energy: -79.545
tors. eta vs tors. theta energy: -151.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1775.083577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.083577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.083577 (E_RNA)
where:
Base-Base interactions energy: -1268.004
where: short stacking energy: -508.063
Base-Backbone interact. energy: -2.102
local terms energy: -504.977680
where:
bonds (distance) C4'-P energy: -86.609
bonds (distance) P-C4' energy: -95.515
flat angles C4'-P-C4' energy: -114.778
flat angles P-C4'-P energy: -80.021
tors. eta vs tors. theta energy: -128.054
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: 5
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1620.263990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.263990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.263990 (E_RNA)
where:
Base-Base interactions energy: -1143.334
where: short stacking energy: -473.535
Base-Backbone interact. energy: -1.561
local terms energy: -475.369616
where:
bonds (distance) C4'-P energy: -77.333
bonds (distance) P-C4' energy: -94.090
flat angles C4'-P-C4' energy: -110.957
flat angles P-C4'-P energy: -70.840
tors. eta vs tors. theta energy: -122.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1567.045626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.045626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.045626 (E_RNA)
where:
Base-Base interactions energy: -1087.676
where: short stacking energy: -462.333
Base-Backbone interact. energy: -2.735
local terms energy: -476.634710
where:
bonds (distance) C4'-P energy: -84.050
bonds (distance) P-C4' energy: -88.226
flat angles C4'-P-C4' energy: -112.097
flat angles P-C4'-P energy: -65.454
tors. eta vs tors. theta energy: -126.809
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: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1361.094464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.094464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.094464 (E_RNA)
where:
Base-Base interactions energy: -902.201
where: short stacking energy: -405.036
Base-Backbone interact. energy: -1.080
local terms energy: -457.813298
where:
bonds (distance) C4'-P energy: -104.530
bonds (distance) P-C4' energy: -86.466
flat angles C4'-P-C4' energy: -99.544
flat angles P-C4'-P energy: -69.280
tors. eta vs tors. theta energy: -97.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1375.207856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.207856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.207856 (E_RNA)
where:
Base-Base interactions energy: -958.932
where: short stacking energy: -401.199
Base-Backbone interact. energy: -2.013
local terms energy: -414.263085
where:
bonds (distance) C4'-P energy: -89.709
bonds (distance) P-C4' energy: -75.514
flat angles C4'-P-C4' energy: -86.945
flat angles P-C4'-P energy: -64.846
tors. eta vs tors. theta energy: -97.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1094.783540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.783540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.783540 (E_RNA)
where:
Base-Base interactions energy: -722.243
where: short stacking energy: -297.136
Base-Backbone interact. energy: -3.550
local terms energy: -368.990875
where:
bonds (distance) C4'-P energy: -72.581
bonds (distance) P-C4' energy: -86.766
flat angles C4'-P-C4' energy: -91.205
flat angles P-C4'-P energy: -57.917
tors. eta vs tors. theta energy: -60.521
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: 9, replica: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -687.728276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.728276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.728276 (E_RNA)
where:
Base-Base interactions energy: -359.450
where: short stacking energy: -177.484
Base-Backbone interact. energy: 1.380
local terms energy: -329.658527
where:
bonds (distance) C4'-P energy: -95.072
bonds (distance) P-C4' energy: -91.987
flat angles C4'-P-C4' energy: -99.702
flat angles P-C4'-P energy: -47.278
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: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -661.001069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.001069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.001069 (E_RNA)
where:
Base-Base interactions energy: -350.704
where: short stacking energy: -183.894
Base-Backbone interact. energy: -2.464
local terms energy: -307.832665
where:
bonds (distance) C4'-P energy: -78.263
bonds (distance) P-C4' energy: -90.467
flat angles C4'-P-C4' energy: -80.510
flat angles P-C4'-P energy: -56.106
tors. eta vs tors. theta energy: -2.487
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: 430
Temperature: 0.900000
Total energy: -1920.710868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.710868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.710868 (E_RNA)
where:
Base-Base interactions energy: -1347.356
where: short stacking energy: -575.749
Base-Backbone interact. energy: -3.934
local terms energy: -569.420612
where:
bonds (distance) C4'-P energy: -94.550
bonds (distance) P-C4' energy: -105.793
flat angles C4'-P-C4' energy: -121.933
flat angles P-C4'-P energy: -85.127
tors. eta vs tors. theta energy: -162.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1791.737705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.737705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.737705 (E_RNA)
where:
Base-Base interactions energy: -1242.687
where: short stacking energy: -522.708
Base-Backbone interact. energy: -3.022
local terms energy: -546.029192
where:
bonds (distance) C4'-P energy: -110.467
bonds (distance) P-C4' energy: -101.595
flat angles C4'-P-C4' energy: -122.610
flat angles P-C4'-P energy: -73.714
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: 3, replica: 3
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1787.934956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.934956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.934956 (E_RNA)
where:
Base-Base interactions energy: -1260.559
where: short stacking energy: -514.786
Base-Backbone interact. energy: -0.239
local terms energy: -527.137117
where:
bonds (distance) C4'-P energy: -93.216
bonds (distance) P-C4' energy: -106.865
flat angles C4'-P-C4' energy: -108.196
flat angles P-C4'-P energy: -73.721
tors. eta vs tors. theta energy: -145.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1613.222306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.222306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.222306 (E_RNA)
where:
Base-Base interactions energy: -1121.818
where: short stacking energy: -484.793
Base-Backbone interact. energy: -3.044
local terms energy: -488.360487
where:
bonds (distance) C4'-P energy: -84.158
bonds (distance) P-C4' energy: -101.486
flat angles C4'-P-C4' energy: -109.215
flat angles P-C4'-P energy: -66.287
tors. eta vs tors. theta energy: -127.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1560.395654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.395654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.395654 (E_RNA)
where:
Base-Base interactions energy: -1090.836
where: short stacking energy: -445.234
Base-Backbone interact. energy: 4.606
local terms energy: -474.166387
where:
bonds (distance) C4'-P energy: -85.057
bonds (distance) P-C4' energy: -92.735
flat angles C4'-P-C4' energy: -112.638
flat angles P-C4'-P energy: -64.201
tors. eta vs tors. theta energy: -119.536
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: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1389.376631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.376631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.376631 (E_RNA)
where:
Base-Base interactions energy: -928.195
where: short stacking energy: -385.045
Base-Backbone interact. energy: 0.296
local terms energy: -461.477440
where:
bonds (distance) C4'-P energy: -89.360
bonds (distance) P-C4' energy: -99.487
flat angles C4'-P-C4' energy: -101.560
flat angles P-C4'-P energy: -77.876
tors. eta vs tors. theta energy: -93.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1418.020791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.020791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.020791 (E_RNA)
where:
Base-Base interactions energy: -969.047
where: short stacking energy: -384.685
Base-Backbone interact. energy: -1.583
local terms energy: -447.390717
where:
bonds (distance) C4'-P energy: -92.005
bonds (distance) P-C4' energy: -91.697
flat angles C4'-P-C4' energy: -99.771
flat angles P-C4'-P energy: -70.613
tors. eta vs tors. theta energy: -93.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1094.544475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.544475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.544475 (E_RNA)
where:
Base-Base interactions energy: -710.536
where: short stacking energy: -339.239
Base-Backbone interact. energy: -1.339
local terms energy: -382.669416
where:
bonds (distance) C4'-P energy: -79.945
bonds (distance) P-C4' energy: -88.742
flat angles C4'-P-C4' energy: -90.016
flat angles P-C4'-P energy: -51.862
tors. eta vs tors. theta energy: -72.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -717.922229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.922229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.922229 (E_RNA)
where:
Base-Base interactions energy: -391.073
where: short stacking energy: -225.047
Base-Backbone interact. energy: 4.827
local terms energy: -331.675957
where:
bonds (distance) C4'-P energy: -75.560
bonds (distance) P-C4' energy: -81.380
flat angles C4'-P-C4' energy: -100.293
flat angles P-C4'-P energy: -51.419
tors. eta vs tors. theta energy: -23.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -587.258075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.258075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.258075 (E_RNA)
where:
Base-Base interactions energy: -305.692
where: short stacking energy: -170.619
Base-Backbone interact. energy: 0.860
local terms energy: -282.426691
where:
bonds (distance) C4'-P energy: -73.301
bonds (distance) P-C4' energy: -72.617
flat angles C4'-P-C4' energy: -77.309
flat angles P-C4'-P energy: -39.259
tors. eta vs tors. theta energy: -19.941
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: 431
Temperature: 0.900000
Total energy: -1926.801852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.801852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.801852 (E_RNA)
where:
Base-Base interactions energy: -1314.266
where: short stacking energy: -569.699
Base-Backbone interact. energy: -3.713
local terms energy: -608.822651
where:
bonds (distance) C4'-P energy: -105.939
bonds (distance) P-C4' energy: -110.055
flat angles C4'-P-C4' energy: -129.180
flat angles P-C4'-P energy: -91.562
tors. eta vs tors. theta energy: -172.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1801.364335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.364335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.364335 (E_RNA)
where:
Base-Base interactions energy: -1255.674
where: short stacking energy: -524.208
Base-Backbone interact. energy: 1.644
local terms energy: -547.334354
where:
bonds (distance) C4'-P energy: -103.107
bonds (distance) P-C4' energy: -88.778
flat angles C4'-P-C4' energy: -125.014
flat angles P-C4'-P energy: -79.020
tors. eta vs tors. theta energy: -151.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1760.906350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.906350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.906350 (E_RNA)
where:
Base-Base interactions energy: -1238.925
where: short stacking energy: -525.142
Base-Backbone interact. energy: 4.121
local terms energy: -526.101885
where:
bonds (distance) C4'-P energy: -93.797
bonds (distance) P-C4' energy: -108.593
flat angles C4'-P-C4' energy: -101.930
flat angles P-C4'-P energy: -73.933
tors. eta vs tors. theta energy: -147.849
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: 6
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1684.555688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.555688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.555688 (E_RNA)
where:
Base-Base interactions energy: -1156.579
where: short stacking energy: -498.980
Base-Backbone interact. energy: -0.476
local terms energy: -527.499822
where:
bonds (distance) C4'-P energy: -102.920
bonds (distance) P-C4' energy: -98.022
flat angles C4'-P-C4' energy: -116.479
flat angles P-C4'-P energy: -73.747
tors. eta vs tors. theta energy: -136.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1559.634214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.634214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.634214 (E_RNA)
where:
Base-Base interactions energy: -1078.401
where: short stacking energy: -455.066
Base-Backbone interact. energy: -1.475
local terms energy: -479.758075
where:
bonds (distance) C4'-P energy: -98.444
bonds (distance) P-C4' energy: -95.060
flat angles C4'-P-C4' energy: -106.652
flat angles P-C4'-P energy: -60.948
tors. eta vs tors. theta energy: -118.653
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: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1378.790621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.790621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.790621 (E_RNA)
where:
Base-Base interactions energy: -919.395
where: short stacking energy: -408.055
Base-Backbone interact. energy: -1.021
local terms energy: -458.374809
where:
bonds (distance) C4'-P energy: -102.969
bonds (distance) P-C4' energy: -88.773
flat angles C4'-P-C4' energy: -95.328
flat angles P-C4'-P energy: -68.429
tors. eta vs tors. theta energy: -102.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1411.853402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.853402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.853402 (E_RNA)
where:
Base-Base interactions energy: -947.495
where: short stacking energy: -399.981
Base-Backbone interact. energy: 1.905
local terms energy: -466.263724
where:
bonds (distance) C4'-P energy: -112.113
bonds (distance) P-C4' energy: -79.834
flat angles C4'-P-C4' energy: -102.673
flat angles P-C4'-P energy: -70.755
tors. eta vs tors. theta energy: -100.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1091.149622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.149622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.149622 (E_RNA)
where:
Base-Base interactions energy: -675.154
where: short stacking energy: -305.036
Base-Backbone interact. energy: -2.898
local terms energy: -413.097634
where:
bonds (distance) C4'-P energy: -94.696
bonds (distance) P-C4' energy: -105.619
flat angles C4'-P-C4' energy: -99.281
flat angles P-C4'-P energy: -52.108
tors. eta vs tors. theta energy: -61.394
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: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -707.942299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.942299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.942299 (E_RNA)
where:
Base-Base interactions energy: -395.944
where: short stacking energy: -203.860
Base-Backbone interact. energy: -1.821
local terms energy: -310.177433
where:
bonds (distance) C4'-P energy: -77.641
bonds (distance) P-C4' energy: -91.091
flat angles C4'-P-C4' energy: -83.281
flat angles P-C4'-P energy: -53.395
tors. eta vs tors. theta energy: -4.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -565.853305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.853305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.853305 (E_RNA)
where:
Base-Base interactions energy: -293.805
where: short stacking energy: -171.195
Base-Backbone interact. energy: -0.161
local terms energy: -271.887577
where:
bonds (distance) C4'-P energy: -80.448
bonds (distance) P-C4' energy: -85.930
flat angles C4'-P-C4' energy: -79.955
flat angles P-C4'-P energy: -37.736
tors. eta vs tors. theta energy: 12.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1903.132761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.132761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.132761 (E_RNA)
where:
Base-Base interactions energy: -1310.662
where: short stacking energy: -560.683
Base-Backbone interact. energy: -3.589
local terms energy: -588.882444
where:
bonds (distance) C4'-P energy: -99.937
bonds (distance) P-C4' energy: -117.078
flat angles C4'-P-C4' energy: -123.893
flat angles P-C4'-P energy: -80.108
tors. eta vs tors. theta energy: -167.866
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: 2, replica: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1812.722698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.722698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.722698 (E_RNA)
where:
Base-Base interactions energy: -1262.804
where: short stacking energy: -524.754
Base-Backbone interact. energy: -2.426
local terms energy: -547.492601
where:
bonds (distance) C4'-P energy: -99.952
bonds (distance) P-C4' energy: -105.662
flat angles C4'-P-C4' energy: -119.282
flat angles P-C4'-P energy: -78.989
tors. eta vs tors. theta energy: -143.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1740.903176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.903176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.903176 (E_RNA)
where:
Base-Base interactions energy: -1216.812
where: short stacking energy: -518.057
Base-Backbone interact. energy: -2.120
local terms energy: -521.971376
where:
bonds (distance) C4'-P energy: -103.641
bonds (distance) P-C4' energy: -86.452
flat angles C4'-P-C4' energy: -110.669
flat angles P-C4'-P energy: -83.199
tors. eta vs tors. theta energy: -138.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1644.951044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.951044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.951044 (E_RNA)
where:
Base-Base interactions energy: -1144.334
where: short stacking energy: -493.168
Base-Backbone interact. energy: -4.070
local terms energy: -496.547776
where:
bonds (distance) C4'-P energy: -87.382
bonds (distance) P-C4' energy: -93.963
flat angles C4'-P-C4' energy: -98.950
flat angles P-C4'-P energy: -78.162
tors. eta vs tors. theta energy: -138.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1575.416924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.416924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.416924 (E_RNA)
where:
Base-Base interactions energy: -1097.461
where: short stacking energy: -459.404
Base-Backbone interact. energy: -3.092
local terms energy: -474.864269
where:
bonds (distance) C4'-P energy: -87.458
bonds (distance) P-C4' energy: -101.683
flat angles C4'-P-C4' energy: -109.381
flat angles P-C4'-P energy: -66.840
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: 6, replica: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1405.670933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.670933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.670933 (E_RNA)
where:
Base-Base interactions energy: -954.467
where: short stacking energy: -412.928
Base-Backbone interact. energy: 2.986
local terms energy: -454.189110
where:
bonds (distance) C4'-P energy: -85.637
bonds (distance) P-C4' energy: -97.703
flat angles C4'-P-C4' energy: -108.459
flat angles P-C4'-P energy: -56.821
tors. eta vs tors. theta energy: -105.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1416.295613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.295613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.295613 (E_RNA)
where:
Base-Base interactions energy: -979.206
where: short stacking energy: -412.365
Base-Backbone interact. energy: -0.980
local terms energy: -436.109214
where:
bonds (distance) C4'-P energy: -77.295
bonds (distance) P-C4' energy: -89.692
flat angles C4'-P-C4' energy: -91.078
flat angles P-C4'-P energy: -64.491
tors. eta vs tors. theta energy: -113.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1104.009119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.009119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.009119 (E_RNA)
where:
Base-Base interactions energy: -701.573
where: short stacking energy: -290.583
Base-Backbone interact. energy: -1.721
local terms energy: -400.715526
where:
bonds (distance) C4'-P energy: -72.993
bonds (distance) P-C4' energy: -113.462
flat angles C4'-P-C4' energy: -99.804
flat angles P-C4'-P energy: -60.938
tors. eta vs tors. theta energy: -53.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -552.623811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.623811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.623811 (E_RNA)
where:
Base-Base interactions energy: -273.159
where: short stacking energy: -146.053
Base-Backbone interact. energy: -0.375
local terms energy: -279.089132
where:
bonds (distance) C4'-P energy: -91.573
bonds (distance) P-C4' energy: -84.729
flat angles C4'-P-C4' energy: -65.667
flat angles P-C4'-P energy: -50.794
tors. eta vs tors. theta energy: 13.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -650.512175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.512175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.512175 (E_RNA)
where:
Base-Base interactions energy: -371.744
where: short stacking energy: -190.722
Base-Backbone interact. energy: -2.602
local terms energy: -276.166082
where:
bonds (distance) C4'-P energy: -77.115
bonds (distance) P-C4' energy: -78.557
flat angles C4'-P-C4' energy: -72.836
flat angles P-C4'-P energy: -46.943
tors. eta vs tors. theta energy: -0.714
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: 433
Temperature: 0.900000
Total energy: -1900.040088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.040088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.040088 (E_RNA)
where:
Base-Base interactions energy: -1348.998
where: short stacking energy: -568.454
Base-Backbone interact. energy: -2.518
local terms energy: -548.523817
where:
bonds (distance) C4'-P energy: -89.282
bonds (distance) P-C4' energy: -95.001
flat angles C4'-P-C4' energy: -119.097
flat angles P-C4'-P energy: -92.632
tors. eta vs tors. theta energy: -152.511
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: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1805.217318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.217318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.217318 (E_RNA)
where:
Base-Base interactions energy: -1290.862
where: short stacking energy: -526.458
Base-Backbone interact. energy: 0.746
local terms energy: -515.102081
where:
bonds (distance) C4'-P energy: -97.056
bonds (distance) P-C4' energy: -93.013
flat angles C4'-P-C4' energy: -108.430
flat angles P-C4'-P energy: -75.840
tors. eta vs tors. theta energy: -140.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1764.478980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.478980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.478980 (E_RNA)
where:
Base-Base interactions energy: -1240.091
where: short stacking energy: -528.391
Base-Backbone interact. energy: -2.361
local terms energy: -522.026955
where:
bonds (distance) C4'-P energy: -91.710
bonds (distance) P-C4' energy: -100.334
flat angles C4'-P-C4' energy: -108.917
flat angles P-C4'-P energy: -78.807
tors. eta vs tors. theta energy: -142.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1642.857194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.857194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.857194 (E_RNA)
where:
Base-Base interactions energy: -1146.266
where: short stacking energy: -465.437
Base-Backbone interact. energy: -1.289
local terms energy: -495.302539
where:
bonds (distance) C4'-P energy: -90.112
bonds (distance) P-C4' energy: -109.417
flat angles C4'-P-C4' energy: -104.936
flat angles P-C4'-P energy: -68.302
tors. eta vs tors. theta energy: -122.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1577.214540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.214540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.214540 (E_RNA)
where:
Base-Base interactions energy: -1096.450
where: short stacking energy: -463.825
Base-Backbone interact. energy: 0.743
local terms energy: -481.507489
where:
bonds (distance) C4'-P energy: -83.367
bonds (distance) P-C4' energy: -88.402
flat angles C4'-P-C4' energy: -114.602
flat angles P-C4'-P energy: -71.800
tors. eta vs tors. theta energy: -123.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1465.906894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.906894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.906894 (E_RNA)
where:
Base-Base interactions energy: -1008.290
where: short stacking energy: -402.634
Base-Backbone interact. energy: -2.934
local terms energy: -454.683284
where:
bonds (distance) C4'-P energy: -90.102
bonds (distance) P-C4' energy: -106.410
flat angles C4'-P-C4' energy: -91.765
flat angles P-C4'-P energy: -60.483
tors. eta vs tors. theta energy: -105.923
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: 8
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1337.402605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.402605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.402605 (E_RNA)
where:
Base-Base interactions energy: -920.407
where: short stacking energy: -388.860
Base-Backbone interact. energy: -1.783
local terms energy: -415.212236
where:
bonds (distance) C4'-P energy: -76.117
bonds (distance) P-C4' energy: -79.532
flat angles C4'-P-C4' energy: -98.579
flat angles P-C4'-P energy: -70.791
tors. eta vs tors. theta energy: -90.193
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: 7
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1048.099983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.099983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.099983 (E_RNA)
where:
Base-Base interactions energy: -661.249
where: short stacking energy: -328.503
Base-Backbone interact. energy: -1.421
local terms energy: -385.429994
where:
bonds (distance) C4'-P energy: -90.099
bonds (distance) P-C4' energy: -92.668
flat angles C4'-P-C4' energy: -81.613
flat angles P-C4'-P energy: -50.866
tors. eta vs tors. theta energy: -70.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -563.789614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.789614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.789614 (E_RNA)
where:
Base-Base interactions energy: -288.400
where: short stacking energy: -164.438
Base-Backbone interact. energy: -2.918
local terms energy: -272.472291
where:
bonds (distance) C4'-P energy: -69.254
bonds (distance) P-C4' energy: -79.428
flat angles C4'-P-C4' energy: -80.028
flat angles P-C4'-P energy: -36.332
tors. eta vs tors. theta energy: -7.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -625.854234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.854234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.854234 (E_RNA)
where:
Base-Base interactions energy: -326.273
where: short stacking energy: -168.068
Base-Backbone interact. energy: 3.776
local terms energy: -303.357020
where:
bonds (distance) C4'-P energy: -72.780
bonds (distance) P-C4' energy: -107.247
flat angles C4'-P-C4' energy: -64.546
flat angles P-C4'-P energy: -55.370
tors. eta vs tors. theta energy: -3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1883.397601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.397601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.397601 (E_RNA)
where:
Base-Base interactions energy: -1327.233
where: short stacking energy: -566.719
Base-Backbone interact. energy: -3.007
local terms energy: -553.157511
where:
bonds (distance) C4'-P energy: -95.462
bonds (distance) P-C4' energy: -104.403
flat angles C4'-P-C4' energy: -121.454
flat angles P-C4'-P energy: -77.096
tors. eta vs tors. theta energy: -154.743
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: 3
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1778.858117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.858117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.858117 (E_RNA)
where:
Base-Base interactions energy: -1248.461
where: short stacking energy: -547.667
Base-Backbone interact. energy: -2.395
local terms energy: -528.002080
where:
bonds (distance) C4'-P energy: -95.395
bonds (distance) P-C4' energy: -104.433
flat angles C4'-P-C4' energy: -123.632
flat angles P-C4'-P energy: -64.142
tors. eta vs tors. theta energy: -140.401
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: 1
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1737.732671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.732671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.732671 (E_RNA)
where:
Base-Base interactions energy: -1214.016
where: short stacking energy: -494.706
Base-Backbone interact. energy: 1.904
local terms energy: -525.621222
where:
bonds (distance) C4'-P energy: -94.947
bonds (distance) P-C4' energy: -98.813
flat angles C4'-P-C4' energy: -112.079
flat angles P-C4'-P energy: -79.753
tors. eta vs tors. theta energy: -140.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1634.200855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.200855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.200855 (E_RNA)
where:
Base-Base interactions energy: -1146.084
where: short stacking energy: -467.410
Base-Backbone interact. energy: -1.416
local terms energy: -486.700908
where:
bonds (distance) C4'-P energy: -94.230
bonds (distance) P-C4' energy: -97.438
flat angles C4'-P-C4' energy: -99.439
flat angles P-C4'-P energy: -71.919
tors. eta vs tors. theta energy: -123.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1563.178057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.178057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.178057 (E_RNA)
where:
Base-Base interactions energy: -1087.293
where: short stacking energy: -458.435
Base-Backbone interact. energy: -2.227
local terms energy: -473.658710
where:
bonds (distance) C4'-P energy: -82.017
bonds (distance) P-C4' energy: -88.040
flat angles C4'-P-C4' energy: -96.717
flat angles P-C4'-P energy: -79.505
tors. eta vs tors. theta energy: -127.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1441.436007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.436007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.436007 (E_RNA)
where:
Base-Base interactions energy: -1000.139
where: short stacking energy: -407.866
Base-Backbone interact. energy: -3.308
local terms energy: -437.989542
where:
bonds (distance) C4'-P energy: -88.038
bonds (distance) P-C4' energy: -91.348
flat angles C4'-P-C4' energy: -105.246
flat angles P-C4'-P energy: -52.756
tors. eta vs tors. theta energy: -100.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1308.745906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.745906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.745906 (E_RNA)
where:
Base-Base interactions energy: -904.792
where: short stacking energy: -398.119
Base-Backbone interact. energy: -0.767
local terms energy: -403.187596
where:
bonds (distance) C4'-P energy: -71.198
bonds (distance) P-C4' energy: -86.738
flat angles C4'-P-C4' energy: -87.746
flat angles P-C4'-P energy: -63.762
tors. eta vs tors. theta energy: -93.744
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: 434
Temperature: 1.250000
Total energy: -1072.518749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.518749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.518749 (E_RNA)
where:
Base-Base interactions energy: -693.555
where: short stacking energy: -303.812
Base-Backbone interact. energy: -0.080
local terms energy: -378.884328
where:
bonds (distance) C4'-P energy: -95.168
bonds (distance) P-C4' energy: -84.356
flat angles C4'-P-C4' energy: -93.934
flat angles P-C4'-P energy: -45.582
tors. eta vs tors. theta energy: -59.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -623.150572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.150572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.150572 (E_RNA)
where:
Base-Base interactions energy: -293.424
where: short stacking energy: -173.024
Base-Backbone interact. energy: -2.636
local terms energy: -327.090046
where:
bonds (distance) C4'-P energy: -75.728
bonds (distance) P-C4' energy: -97.509
flat angles C4'-P-C4' energy: -89.703
flat angles P-C4'-P energy: -53.853
tors. eta vs tors. theta energy: -10.298
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: 9
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -636.291091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.291091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.291091 (E_RNA)
where:
Base-Base interactions energy: -338.654
where: short stacking energy: -168.428
Base-Backbone interact. energy: 1.093
local terms energy: -298.729964
where:
bonds (distance) C4'-P energy: -96.741
bonds (distance) P-C4' energy: -81.021
flat angles C4'-P-C4' energy: -66.010
flat angles P-C4'-P energy: -49.813
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1920.179216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.179216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.179216 (E_RNA)
where:
Base-Base interactions energy: -1343.835
where: short stacking energy: -568.864
Base-Backbone interact. energy: -3.804
local terms energy: -572.540288
where:
bonds (distance) C4'-P energy: -104.880
bonds (distance) P-C4' energy: -109.614
flat angles C4'-P-C4' energy: -112.538
flat angles P-C4'-P energy: -88.053
tors. eta vs tors. theta energy: -157.456
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: 435
Temperature: 0.950000
Total energy: -1792.189683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.189683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.189683 (E_RNA)
where:
Base-Base interactions energy: -1243.755
where: short stacking energy: -497.678
Base-Backbone interact. energy: 2.283
local terms energy: -550.716906
where:
bonds (distance) C4'-P energy: -105.769
bonds (distance) P-C4' energy: -101.704
flat angles C4'-P-C4' energy: -124.749
flat angles P-C4'-P energy: -77.026
tors. eta vs tors. theta energy: -141.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1755.458257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.458257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.458257 (E_RNA)
where:
Base-Base interactions energy: -1229.565
where: short stacking energy: -504.375
Base-Backbone interact. energy: 1.553
local terms energy: -527.446150
where:
bonds (distance) C4'-P energy: -100.413
bonds (distance) P-C4' energy: -96.393
flat angles C4'-P-C4' energy: -114.331
flat angles P-C4'-P energy: -85.623
tors. eta vs tors. theta energy: -130.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1647.627672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.627672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.627672 (E_RNA)
where:
Base-Base interactions energy: -1162.265
where: short stacking energy: -471.027
Base-Backbone interact. energy: -3.339
local terms energy: -482.024439
where:
bonds (distance) C4'-P energy: -80.533
bonds (distance) P-C4' energy: -93.520
flat angles C4'-P-C4' energy: -109.480
flat angles P-C4'-P energy: -74.835
tors. eta vs tors. theta energy: -123.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1544.530013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.530013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.530013 (E_RNA)
where:
Base-Base interactions energy: -1060.135
where: short stacking energy: -467.095
Base-Backbone interact. energy: -0.937
local terms energy: -483.457938
where:
bonds (distance) C4'-P energy: -90.257
bonds (distance) P-C4' energy: -85.634
flat angles C4'-P-C4' energy: -109.661
flat angles P-C4'-P energy: -77.907
tors. eta vs tors. theta energy: -119.999
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: 6, replica: 4
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1477.123210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.123210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.123210 (E_RNA)
where:
Base-Base interactions energy: -1018.910
where: short stacking energy: -401.364
Base-Backbone interact. energy: -2.767
local terms energy: -455.446946
where:
bonds (distance) C4'-P energy: -82.562
bonds (distance) P-C4' energy: -99.714
flat angles C4'-P-C4' energy: -104.228
flat angles P-C4'-P energy: -66.677
tors. eta vs tors. theta energy: -102.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1297.193226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.193226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.193226 (E_RNA)
where:
Base-Base interactions energy: -881.764
where: short stacking energy: -406.270
Base-Backbone interact. energy: -2.393
local terms energy: -413.036225
where:
bonds (distance) C4'-P energy: -80.974
bonds (distance) P-C4' energy: -76.832
flat angles C4'-P-C4' energy: -101.306
flat angles P-C4'-P energy: -65.861
tors. eta vs tors. theta energy: -88.062
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: 8, replica: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1123.989599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.989599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.989599 (E_RNA)
where:
Base-Base interactions energy: -718.248
where: short stacking energy: -331.968
Base-Backbone interact. energy: -1.458
local terms energy: -404.283530
where:
bonds (distance) C4'-P energy: -66.196
bonds (distance) P-C4' energy: -87.995
flat angles C4'-P-C4' energy: -92.892
flat angles P-C4'-P energy: -76.901
tors. eta vs tors. theta energy: -80.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -663.283451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.283451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.283451 (E_RNA)
where:
Base-Base interactions energy: -360.330
where: short stacking energy: -175.355
Base-Backbone interact. energy: -2.865
local terms energy: -300.088623
where:
bonds (distance) C4'-P energy: -85.839
bonds (distance) P-C4' energy: -86.510
flat angles C4'-P-C4' energy: -86.319
flat angles P-C4'-P energy: -30.486
tors. eta vs tors. theta energy: -10.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -629.837347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.837347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.837347 (E_RNA)
where:
Base-Base interactions energy: -323.529
where: short stacking energy: -167.299
Base-Backbone interact. energy: -2.558
local terms energy: -303.750112
where:
bonds (distance) C4'-P energy: -87.899
bonds (distance) P-C4' energy: -89.002
flat angles C4'-P-C4' energy: -81.427
flat angles P-C4'-P energy: -48.491
tors. eta vs tors. theta energy: 3.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1906.520258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.520258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.520258 (E_RNA)
where:
Base-Base interactions energy: -1337.720
where: short stacking energy: -558.397
Base-Backbone interact. energy: -6.188
local terms energy: -562.612089
where:
bonds (distance) C4'-P energy: -101.095
bonds (distance) P-C4' energy: -107.745
flat angles C4'-P-C4' energy: -114.243
flat angles P-C4'-P energy: -81.399
tors. eta vs tors. theta energy: -158.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1771.549607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.549607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.549607 (E_RNA)
where:
Base-Base interactions energy: -1235.879
where: short stacking energy: -503.340
Base-Backbone interact. energy: -1.910
local terms energy: -533.760191
where:
bonds (distance) C4'-P energy: -109.970
bonds (distance) P-C4' energy: -90.975
flat angles C4'-P-C4' energy: -115.367
flat angles P-C4'-P energy: -79.391
tors. eta vs tors. theta energy: -138.057
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: 3, replica: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1758.275389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.275389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.275389 (E_RNA)
where:
Base-Base interactions energy: -1240.016
where: short stacking energy: -503.528
Base-Backbone interact. energy: -4.008
local terms energy: -514.251392
where:
bonds (distance) C4'-P energy: -85.603
bonds (distance) P-C4' energy: -89.443
flat angles C4'-P-C4' energy: -119.163
flat angles P-C4'-P energy: -83.129
tors. eta vs tors. theta energy: -136.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1670.639252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.639252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.639252 (E_RNA)
where:
Base-Base interactions energy: -1190.091
where: short stacking energy: -493.083
Base-Backbone interact. energy: 0.974
local terms energy: -481.522137
where:
bonds (distance) C4'-P energy: -82.999
bonds (distance) P-C4' energy: -91.463
flat angles C4'-P-C4' energy: -109.711
flat angles P-C4'-P energy: -71.039
tors. eta vs tors. theta energy: -126.311
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: 6
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1556.859268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.859268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.859268 (E_RNA)
where:
Base-Base interactions energy: -1101.717
where: short stacking energy: -446.061
Base-Backbone interact. energy: 0.885
local terms energy: -456.026643
where:
bonds (distance) C4'-P energy: -82.331
bonds (distance) P-C4' energy: -91.845
flat angles C4'-P-C4' energy: -102.098
flat angles P-C4'-P energy: -62.729
tors. eta vs tors. theta energy: -117.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1487.416678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.416678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.416678 (E_RNA)
where:
Base-Base interactions energy: -1035.805
where: short stacking energy: -431.940
Base-Backbone interact. energy: -2.582
local terms energy: -449.029893
where:
bonds (distance) C4'-P energy: -74.570
bonds (distance) P-C4' energy: -97.517
flat angles C4'-P-C4' energy: -107.373
flat angles P-C4'-P energy: -69.746
tors. eta vs tors. theta energy: -99.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1324.763592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.763592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.763592 (E_RNA)
where:
Base-Base interactions energy: -903.521
where: short stacking energy: -409.234
Base-Backbone interact. energy: 1.296
local terms energy: -422.538897
where:
bonds (distance) C4'-P energy: -74.716
bonds (distance) P-C4' energy: -83.079
flat angles C4'-P-C4' energy: -104.314
flat angles P-C4'-P energy: -52.801
tors. eta vs tors. theta energy: -107.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1140.404134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.404134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.404134 (E_RNA)
where:
Base-Base interactions energy: -774.949
where: short stacking energy: -356.448
Base-Backbone interact. energy: 3.225
local terms energy: -368.679920
where:
bonds (distance) C4'-P energy: -83.680
bonds (distance) P-C4' energy: -84.244
flat angles C4'-P-C4' energy: -92.416
flat angles P-C4'-P energy: -29.295
tors. eta vs tors. theta energy: -79.045
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: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -661.308255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.308255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.308255 (E_RNA)
where:
Base-Base interactions energy: -368.735
where: short stacking energy: -198.149
Base-Backbone interact. energy: 2.722
local terms energy: -295.294882
where:
bonds (distance) C4'-P energy: -75.449
bonds (distance) P-C4' energy: -91.851
flat angles C4'-P-C4' energy: -77.505
flat angles P-C4'-P energy: -39.683
tors. eta vs tors. theta energy: -10.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -642.559849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.559849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.559849 (E_RNA)
where:
Base-Base interactions energy: -370.660
where: short stacking energy: -147.077
Base-Backbone interact. energy: 0.149
local terms energy: -272.048758
where:
bonds (distance) C4'-P energy: -69.338
bonds (distance) P-C4' energy: -91.878
flat angles C4'-P-C4' energy: -71.244
flat angles P-C4'-P energy: -52.730
tors. eta vs tors. theta energy: 13.141
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: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1910.043223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.043223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.043223 (E_RNA)
where:
Base-Base interactions energy: -1347.740
where: short stacking energy: -551.446
Base-Backbone interact. energy: -1.221
local terms energy: -561.082213
where:
bonds (distance) C4'-P energy: -105.706
bonds (distance) P-C4' energy: -95.570
flat angles C4'-P-C4' energy: -120.820
flat angles P-C4'-P energy: -84.148
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: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1792.657939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.657939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.657939 (E_RNA)
where:
Base-Base interactions energy: -1261.463
where: short stacking energy: -522.211
Base-Backbone interact. energy: -3.335
local terms energy: -527.859235
where:
bonds (distance) C4'-P energy: -102.245
bonds (distance) P-C4' energy: -87.902
flat angles C4'-P-C4' energy: -113.544
flat angles P-C4'-P energy: -81.574
tors. eta vs tors. theta energy: -142.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1719.415710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.415710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.415710 (E_RNA)
where:
Base-Base interactions energy: -1191.813
where: short stacking energy: -478.107
Base-Backbone interact. energy: -0.820
local terms energy: -526.782810
where:
bonds (distance) C4'-P energy: -100.819
bonds (distance) P-C4' energy: -116.598
flat angles C4'-P-C4' energy: -115.125
flat angles P-C4'-P energy: -71.244
tors. eta vs tors. theta energy: -122.997
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: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1653.197301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.197301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.197301 (E_RNA)
where:
Base-Base interactions energy: -1149.356
where: short stacking energy: -513.296
Base-Backbone interact. energy: 1.582
local terms energy: -505.422902
where:
bonds (distance) C4'-P energy: -93.159
bonds (distance) P-C4' energy: -82.100
flat angles C4'-P-C4' energy: -107.859
flat angles P-C4'-P energy: -78.129
tors. eta vs tors. theta energy: -144.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1554.022773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.022773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.022773 (E_RNA)
where:
Base-Base interactions energy: -1072.385
where: short stacking energy: -467.772
Base-Backbone interact. energy: -3.024
local terms energy: -478.614317
where:
bonds (distance) C4'-P energy: -99.362
bonds (distance) P-C4' energy: -95.696
flat angles C4'-P-C4' energy: -99.624
flat angles P-C4'-P energy: -66.583
tors. eta vs tors. theta energy: -117.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1463.901551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.901551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.901551 (E_RNA)
where:
Base-Base interactions energy: -1017.000
where: short stacking energy: -427.412
Base-Backbone interact. energy: -2.084
local terms energy: -444.817428
where:
bonds (distance) C4'-P energy: -89.275
bonds (distance) P-C4' energy: -88.001
flat angles C4'-P-C4' energy: -102.281
flat angles P-C4'-P energy: -63.395
tors. eta vs tors. theta energy: -101.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1300.517318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.517318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.517318 (E_RNA)
where:
Base-Base interactions energy: -863.094
where: short stacking energy: -360.345
Base-Backbone interact. energy: 1.379
local terms energy: -438.802431
where:
bonds (distance) C4'-P energy: -90.761
bonds (distance) P-C4' energy: -83.088
flat angles C4'-P-C4' energy: -106.662
flat angles P-C4'-P energy: -73.757
tors. eta vs tors. theta energy: -84.534
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: 7
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1158.495902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.495902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.495902 (E_RNA)
where:
Base-Base interactions energy: -769.281
where: short stacking energy: -319.592
Base-Backbone interact. energy: -1.683
local terms energy: -387.531636
where:
bonds (distance) C4'-P energy: -92.079
bonds (distance) P-C4' energy: -75.832
flat angles C4'-P-C4' energy: -89.707
flat angles P-C4'-P energy: -59.868
tors. eta vs tors. theta energy: -70.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -716.452606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.452606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.452606 (E_RNA)
where:
Base-Base interactions energy: -365.075
where: short stacking energy: -218.415
Base-Backbone interact. energy: 4.733
local terms energy: -356.111094
where:
bonds (distance) C4'-P energy: -94.249
bonds (distance) P-C4' energy: -99.269
flat angles C4'-P-C4' energy: -92.438
flat angles P-C4'-P energy: -46.086
tors. eta vs tors. theta energy: -24.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -618.100691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.100691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.100691 (E_RNA)
where:
Base-Base interactions energy: -344.263
where: short stacking energy: -163.147
Base-Backbone interact. energy: 0.967
local terms energy: -274.804815
where:
bonds (distance) C4'-P energy: -77.162
bonds (distance) P-C4' energy: -81.133
flat angles C4'-P-C4' energy: -70.162
flat angles P-C4'-P energy: -37.168
tors. eta vs tors. theta energy: -9.179
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: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1893.256407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.256407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.256407 (E_RNA)
where:
Base-Base interactions energy: -1329.591
where: short stacking energy: -547.947
Base-Backbone interact. energy: -1.717
local terms energy: -561.948872
where:
bonds (distance) C4'-P energy: -103.320
bonds (distance) P-C4' energy: -98.430
flat angles C4'-P-C4' energy: -113.932
flat angles P-C4'-P energy: -87.606
tors. eta vs tors. theta energy: -158.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1802.856795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.856795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.856795 (E_RNA)
where:
Base-Base interactions energy: -1279.085
where: short stacking energy: -547.783
Base-Backbone interact. energy: -1.871
local terms energy: -521.900968
where:
bonds (distance) C4'-P energy: -81.153
bonds (distance) P-C4' energy: -94.222
flat angles C4'-P-C4' energy: -113.146
flat angles P-C4'-P energy: -84.827
tors. eta vs tors. theta energy: -148.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1671.310014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.310014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.310014 (E_RNA)
where:
Base-Base interactions energy: -1159.093
where: short stacking energy: -476.356
Base-Backbone interact. energy: -2.834
local terms energy: -509.383820
where:
bonds (distance) C4'-P energy: -97.040
bonds (distance) P-C4' energy: -91.451
flat angles C4'-P-C4' energy: -117.706
flat angles P-C4'-P energy: -71.953
tors. eta vs tors. theta energy: -131.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1692.896081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.896081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.896081 (E_RNA)
where:
Base-Base interactions energy: -1191.168
where: short stacking energy: -486.618
Base-Backbone interact. energy: 0.680
local terms energy: -502.408148
where:
bonds (distance) C4'-P energy: -101.641
bonds (distance) P-C4' energy: -93.287
flat angles C4'-P-C4' energy: -115.148
flat angles P-C4'-P energy: -73.726
tors. eta vs tors. theta energy: -118.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1535.479481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.479481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.479481 (E_RNA)
where:
Base-Base interactions energy: -1057.800
where: short stacking energy: -466.945
Base-Backbone interact. energy: 1.266
local terms energy: -478.945927
where:
bonds (distance) C4'-P energy: -85.613
bonds (distance) P-C4' energy: -104.899
flat angles C4'-P-C4' energy: -110.250
flat angles P-C4'-P energy: -62.703
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: 6, replica: 4
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1470.885785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.885785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.885785 (E_RNA)
where:
Base-Base interactions energy: -999.520
where: short stacking energy: -420.752
Base-Backbone interact. energy: 1.039
local terms energy: -472.405019
where:
bonds (distance) C4'-P energy: -86.122
bonds (distance) P-C4' energy: -109.374
flat angles C4'-P-C4' energy: -106.188
flat angles P-C4'-P energy: -70.609
tors. eta vs tors. theta energy: -100.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1281.286690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.286690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.286690 (E_RNA)
where:
Base-Base interactions energy: -877.255
where: short stacking energy: -375.669
Base-Backbone interact. energy: -0.751
local terms energy: -403.281031
where:
bonds (distance) C4'-P energy: -80.021
bonds (distance) P-C4' energy: -84.401
flat angles C4'-P-C4' energy: -98.820
flat angles P-C4'-P energy: -52.548
tors. eta vs tors. theta energy: -87.490
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: 7
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1199.100777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.100777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.100777 (E_RNA)
where:
Base-Base interactions energy: -816.341
where: short stacking energy: -326.112
Base-Backbone interact. energy: -0.227
local terms energy: -382.532691
where:
bonds (distance) C4'-P energy: -74.301
bonds (distance) P-C4' energy: -81.194
flat angles C4'-P-C4' energy: -93.006
flat angles P-C4'-P energy: -59.505
tors. eta vs tors. theta energy: -74.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -674.331848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.331848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.331848 (E_RNA)
where:
Base-Base interactions energy: -391.695
where: short stacking energy: -213.381
Base-Backbone interact. energy: 4.455
local terms energy: -287.091296
where:
bonds (distance) C4'-P energy: -83.260
bonds (distance) P-C4' energy: -91.325
flat angles C4'-P-C4' energy: -64.772
flat angles P-C4'-P energy: -42.863
tors. eta vs tors. theta energy: -4.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -624.497351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.497351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.497351 (E_RNA)
where:
Base-Base interactions energy: -298.713
where: short stacking energy: -156.552
Base-Backbone interact. energy: 0.633
local terms energy: -326.418077
where:
bonds (distance) C4'-P energy: -96.851
bonds (distance) P-C4' energy: -102.441
flat angles C4'-P-C4' energy: -73.408
flat angles P-C4'-P energy: -44.316
tors. eta vs tors. theta energy: -9.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1894.331438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.331438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.331438 (E_RNA)
where:
Base-Base interactions energy: -1329.859
where: short stacking energy: -577.282
Base-Backbone interact. energy: -4.967
local terms energy: -559.505036
where:
bonds (distance) C4'-P energy: -90.337
bonds (distance) P-C4' energy: -112.510
flat angles C4'-P-C4' energy: -122.410
flat angles P-C4'-P energy: -80.239
tors. eta vs tors. theta energy: -154.009
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: 3
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1803.999777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.999777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.999777 (E_RNA)
where:
Base-Base interactions energy: -1268.784
where: short stacking energy: -548.995
Base-Backbone interact. energy: 7.636
local terms energy: -542.852237
where:
bonds (distance) C4'-P energy: -103.655
bonds (distance) P-C4' energy: -96.286
flat angles C4'-P-C4' energy: -125.013
flat angles P-C4'-P energy: -76.759
tors. eta vs tors. theta energy: -141.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1692.259246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.259246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.259246 (E_RNA)
where:
Base-Base interactions energy: -1201.763
where: short stacking energy: -488.788
Base-Backbone interact. energy: -3.762
local terms energy: -486.734425
where:
bonds (distance) C4'-P energy: -89.788
bonds (distance) P-C4' energy: -90.872
flat angles C4'-P-C4' energy: -97.242
flat angles P-C4'-P energy: -73.396
tors. eta vs tors. theta energy: -135.437
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: 4, replica: 1
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1713.983372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.983372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.983372 (E_RNA)
where:
Base-Base interactions energy: -1221.279
where: short stacking energy: -511.006
Base-Backbone interact. energy: -2.922
local terms energy: -489.782738
where:
bonds (distance) C4'-P energy: -88.499
bonds (distance) P-C4' energy: -81.483
flat angles C4'-P-C4' energy: -98.278
flat angles P-C4'-P energy: -84.836
tors. eta vs tors. theta energy: -136.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1581.621890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.621890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.621890 (E_RNA)
where:
Base-Base interactions energy: -1105.438
where: short stacking energy: -464.332
Base-Backbone interact. energy: -4.135
local terms energy: -472.048424
where:
bonds (distance) C4'-P energy: -80.442
bonds (distance) P-C4' energy: -84.774
flat angles C4'-P-C4' energy: -111.672
flat angles P-C4'-P energy: -78.229
tors. eta vs tors. theta energy: -116.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1514.074322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.074322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.074322 (E_RNA)
where:
Base-Base interactions energy: -1048.855
where: short stacking energy: -432.468
Base-Backbone interact. energy: 2.094
local terms energy: -467.313525
where:
bonds (distance) C4'-P energy: -91.633
bonds (distance) P-C4' energy: -99.741
flat angles C4'-P-C4' energy: -100.115
flat angles P-C4'-P energy: -63.714
tors. eta vs tors. theta energy: -112.110
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: 7, replica: 8
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1304.320469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.320469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.320469 (E_RNA)
where:
Base-Base interactions energy: -879.567
where: short stacking energy: -356.990
Base-Backbone interact. energy: -2.414
local terms energy: -422.339798
where:
bonds (distance) C4'-P energy: -76.505
bonds (distance) P-C4' energy: -87.631
flat angles C4'-P-C4' energy: -100.192
flat angles P-C4'-P energy: -68.440
tors. eta vs tors. theta energy: -89.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1125.131016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.131016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.131016 (E_RNA)
where:
Base-Base interactions energy: -744.486
where: short stacking energy: -320.048
Base-Backbone interact. energy: 1.322
local terms energy: -381.967438
where:
bonds (distance) C4'-P energy: -88.054
bonds (distance) P-C4' energy: -85.245
flat angles C4'-P-C4' energy: -84.704
flat angles P-C4'-P energy: -52.566
tors. eta vs tors. theta energy: -71.399
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: 439
Temperature: 1.300000
Total energy: -673.559132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.559132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.559132 (E_RNA)
where:
Base-Base interactions energy: -359.005
where: short stacking energy: -170.743
Base-Backbone interact. energy: 3.077
local terms energy: -317.630424
where:
bonds (distance) C4'-P energy: -86.021
bonds (distance) P-C4' energy: -84.642
flat angles C4'-P-C4' energy: -97.633
flat angles P-C4'-P energy: -52.925
tors. eta vs tors. theta energy: 3.591
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: 439
Temperature: 1.350000
Total energy: -575.767302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.767302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.767302 (E_RNA)
where:
Base-Base interactions energy: -284.205
where: short stacking energy: -189.688
Base-Backbone interact. energy: 4.066
local terms energy: -295.628459
where:
bonds (distance) C4'-P energy: -92.725
bonds (distance) P-C4' energy: -80.882
flat angles C4'-P-C4' energy: -69.492
flat angles P-C4'-P energy: -46.536
tors. eta vs tors. theta energy: -5.994
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: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1884.620831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.620831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.620831 (E_RNA)
where:
Base-Base interactions energy: -1323.347
where: short stacking energy: -550.153
Base-Backbone interact. energy: 2.511
local terms energy: -563.784024
where:
bonds (distance) C4'-P energy: -91.859
bonds (distance) P-C4' energy: -112.610
flat angles C4'-P-C4' energy: -126.210
flat angles P-C4'-P energy: -83.907
tors. eta vs tors. theta energy: -149.198
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: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1758.050924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.050924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.050924 (E_RNA)
where:
Base-Base interactions energy: -1230.201
where: short stacking energy: -502.214
Base-Backbone interact. energy: 1.990
local terms energy: -529.840865
where:
bonds (distance) C4'-P energy: -95.943
bonds (distance) P-C4' energy: -110.526
flat angles C4'-P-C4' energy: -118.117
flat angles P-C4'-P energy: -71.610
tors. eta vs tors. theta energy: -133.644
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: 1
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1731.731237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.731237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.731237 (E_RNA)
where:
Base-Base interactions energy: -1196.743
where: short stacking energy: -485.039
Base-Backbone interact. energy: -0.558
local terms energy: -534.430833
where:
bonds (distance) C4'-P energy: -97.238
bonds (distance) P-C4' energy: -110.230
flat angles C4'-P-C4' energy: -109.870
flat angles P-C4'-P energy: -85.366
tors. eta vs tors. theta energy: -131.727
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: 5
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1641.996177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.996177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.996177 (E_RNA)
where:
Base-Base interactions energy: -1135.348
where: short stacking energy: -454.322
Base-Backbone interact. energy: -3.695
local terms energy: -502.952249
where:
bonds (distance) C4'-P energy: -95.301
bonds (distance) P-C4' energy: -96.261
flat angles C4'-P-C4' energy: -113.887
flat angles P-C4'-P energy: -71.975
tors. eta vs tors. theta energy: -125.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1581.597547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.597547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.597547 (E_RNA)
where:
Base-Base interactions energy: -1095.697
where: short stacking energy: -486.262
Base-Backbone interact. energy: -2.402
local terms energy: -483.499098
where:
bonds (distance) C4'-P energy: -78.786
bonds (distance) P-C4' energy: -85.759
flat angles C4'-P-C4' energy: -109.563
flat angles P-C4'-P energy: -70.808
tors. eta vs tors. theta energy: -138.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1486.191026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.191026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.191026 (E_RNA)
where:
Base-Base interactions energy: -1025.816
where: short stacking energy: -427.156
Base-Backbone interact. energy: 0.760
local terms energy: -461.135031
where:
bonds (distance) C4'-P energy: -79.521
bonds (distance) P-C4' energy: -91.872
flat angles C4'-P-C4' energy: -95.606
flat angles P-C4'-P energy: -90.000
tors. eta vs tors. theta energy: -104.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1295.352597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.352597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.352597 (E_RNA)
where:
Base-Base interactions energy: -863.705
where: short stacking energy: -385.029
Base-Backbone interact. energy: 0.951
local terms energy: -432.598631
where:
bonds (distance) C4'-P energy: -80.582
bonds (distance) P-C4' energy: -91.583
flat angles C4'-P-C4' energy: -102.830
flat angles P-C4'-P energy: -66.956
tors. eta vs tors. theta energy: -90.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1082.422200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.422200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.422200 (E_RNA)
where:
Base-Base interactions energy: -702.841
where: short stacking energy: -306.230
Base-Backbone interact. energy: 1.450
local terms energy: -381.030539
where:
bonds (distance) C4'-P energy: -75.133
bonds (distance) P-C4' energy: -91.674
flat angles C4'-P-C4' energy: -94.477
flat angles P-C4'-P energy: -61.797
tors. eta vs tors. theta energy: -57.949
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: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -716.825627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.825627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.825627 (E_RNA)
where:
Base-Base interactions energy: -398.721
where: short stacking energy: -187.165
Base-Backbone interact. energy: -0.427
local terms energy: -317.676872
where:
bonds (distance) C4'-P energy: -74.481
bonds (distance) P-C4' energy: -78.428
flat angles C4'-P-C4' energy: -98.692
flat angles P-C4'-P energy: -61.327
tors. eta vs tors. theta energy: -4.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -560.335421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.335421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.335421 (E_RNA)
where:
Base-Base interactions energy: -259.298
where: short stacking energy: -166.445
Base-Backbone interact. energy: -0.660
local terms energy: -300.377170
where:
bonds (distance) C4'-P energy: -97.793
bonds (distance) P-C4' energy: -74.346
flat angles C4'-P-C4' energy: -71.278
flat angles P-C4'-P energy: -41.031
tors. eta vs tors. theta energy: -15.930
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: 441
Temperature: 0.900000
Total energy: -1917.040945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.040945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.040945 (E_RNA)
where:
Base-Base interactions energy: -1349.042
where: short stacking energy: -551.302
Base-Backbone interact. energy: -0.723
local terms energy: -567.275293
where:
bonds (distance) C4'-P energy: -104.960
bonds (distance) P-C4' energy: -102.623
flat angles C4'-P-C4' energy: -123.650
flat angles P-C4'-P energy: -80.265
tors. eta vs tors. theta energy: -155.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1746.768308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.768308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.768308 (E_RNA)
where:
Base-Base interactions energy: -1205.390
where: short stacking energy: -521.033
Base-Backbone interact. energy: 0.681
local terms energy: -542.059785
where:
bonds (distance) C4'-P energy: -99.493
bonds (distance) P-C4' energy: -109.744
flat angles C4'-P-C4' energy: -118.852
flat angles P-C4'-P energy: -73.944
tors. eta vs tors. theta energy: -140.027
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: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1739.390309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.390309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.390309 (E_RNA)
where:
Base-Base interactions energy: -1205.158
where: short stacking energy: -508.321
Base-Backbone interact. energy: -1.970
local terms energy: -532.261624
where:
bonds (distance) C4'-P energy: -100.723
bonds (distance) P-C4' energy: -99.380
flat angles C4'-P-C4' energy: -114.188
flat angles P-C4'-P energy: -82.410
tors. eta vs tors. theta energy: -135.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1629.598417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.598417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.598417 (E_RNA)
where:
Base-Base interactions energy: -1134.495
where: short stacking energy: -471.437
Base-Backbone interact. energy: -0.200
local terms energy: -494.902731
where:
bonds (distance) C4'-P energy: -84.053
bonds (distance) P-C4' energy: -105.327
flat angles C4'-P-C4' energy: -105.145
flat angles P-C4'-P energy: -73.469
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: 5, replica: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1575.715241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.715241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.715241 (E_RNA)
where:
Base-Base interactions energy: -1089.892
where: short stacking energy: -455.578
Base-Backbone interact. energy: -0.912
local terms energy: -484.911554
where:
bonds (distance) C4'-P energy: -98.663
bonds (distance) P-C4' energy: -96.390
flat angles C4'-P-C4' energy: -93.242
flat angles P-C4'-P energy: -72.826
tors. eta vs tors. theta energy: -123.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1448.971665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.971665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.971665 (E_RNA)
where:
Base-Base interactions energy: -1014.317
where: short stacking energy: -422.635
Base-Backbone interact. energy: 3.410
local terms energy: -438.064924
where:
bonds (distance) C4'-P energy: -96.916
bonds (distance) P-C4' energy: -89.425
flat angles C4'-P-C4' energy: -94.728
flat angles P-C4'-P energy: -57.937
tors. eta vs tors. theta energy: -99.059
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: 8
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1279.004479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.004479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.004479 (E_RNA)
where:
Base-Base interactions energy: -876.004
where: short stacking energy: -389.507
Base-Backbone interact. energy: -0.706
local terms energy: -402.293856
where:
bonds (distance) C4'-P energy: -74.166
bonds (distance) P-C4' energy: -83.644
flat angles C4'-P-C4' energy: -100.718
flat angles P-C4'-P energy: -62.960
tors. eta vs tors. theta energy: -80.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1138.229144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.229144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.229144 (E_RNA)
where:
Base-Base interactions energy: -756.059
where: short stacking energy: -337.318
Base-Backbone interact. energy: 3.437
local terms energy: -385.606806
where:
bonds (distance) C4'-P energy: -71.542
bonds (distance) P-C4' energy: -90.174
flat angles C4'-P-C4' energy: -82.595
flat angles P-C4'-P energy: -70.938
tors. eta vs tors. theta energy: -70.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -693.047566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.047566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.047566 (E_RNA)
where:
Base-Base interactions energy: -372.895
where: short stacking energy: -195.006
Base-Backbone interact. energy: 3.095
local terms energy: -323.247184
where:
bonds (distance) C4'-P energy: -99.342
bonds (distance) P-C4' energy: -88.369
flat angles C4'-P-C4' energy: -85.670
flat angles P-C4'-P energy: -46.784
tors. eta vs tors. theta energy: -3.083
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: 441
Temperature: 1.350000
Total energy: -520.489669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.489669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.489669 (E_RNA)
where:
Base-Base interactions energy: -231.465
where: short stacking energy: -153.995
Base-Backbone interact. energy: -0.259
local terms energy: -288.765204
where:
bonds (distance) C4'-P energy: -90.362
bonds (distance) P-C4' energy: -84.830
flat angles C4'-P-C4' energy: -75.530
flat angles P-C4'-P energy: -48.415
tors. eta vs tors. theta energy: 10.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1918.943864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.943864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.943864 (E_RNA)
where:
Base-Base interactions energy: -1347.057
where: short stacking energy: -548.356
Base-Backbone interact. energy: -3.799
local terms energy: -568.087659
where:
bonds (distance) C4'-P energy: -110.509
bonds (distance) P-C4' energy: -103.258
flat angles C4'-P-C4' energy: -121.400
flat angles P-C4'-P energy: -80.161
tors. eta vs tors. theta energy: -152.759
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: 3
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1770.323598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.323598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.323598 (E_RNA)
where:
Base-Base interactions energy: -1240.306
where: short stacking energy: -520.645
Base-Backbone interact. energy: -0.249
local terms energy: -529.767722
where:
bonds (distance) C4'-P energy: -96.475
bonds (distance) P-C4' energy: -96.845
flat angles C4'-P-C4' energy: -114.284
flat angles P-C4'-P energy: -81.205
tors. eta vs tors. theta energy: -140.959
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: 442
Temperature: 1.000000
Total energy: -1786.943827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.943827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.943827 (E_RNA)
where:
Base-Base interactions energy: -1257.023
where: short stacking energy: -523.178
Base-Backbone interact. energy: -0.009
local terms energy: -529.912564
where:
bonds (distance) C4'-P energy: -99.926
bonds (distance) P-C4' energy: -106.282
flat angles C4'-P-C4' energy: -109.435
flat angles P-C4'-P energy: -72.441
tors. eta vs tors. theta energy: -141.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1636.129791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.129791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.129791 (E_RNA)
where:
Base-Base interactions energy: -1137.439
where: short stacking energy: -495.587
Base-Backbone interact. energy: -1.791
local terms energy: -496.899091
where:
bonds (distance) C4'-P energy: -97.249
bonds (distance) P-C4' energy: -94.929
flat angles C4'-P-C4' energy: -111.808
flat angles P-C4'-P energy: -61.220
tors. eta vs tors. theta energy: -131.693
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: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1567.875355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.875355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.875355 (E_RNA)
where:
Base-Base interactions energy: -1087.156
where: short stacking energy: -462.944
Base-Backbone interact. energy: 0.563
local terms energy: -481.282559
where:
bonds (distance) C4'-P energy: -93.646
bonds (distance) P-C4' energy: -93.356
flat angles C4'-P-C4' energy: -107.599
flat angles P-C4'-P energy: -65.309
tors. eta vs tors. theta energy: -121.373
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: 442
Temperature: 1.150000
Total energy: -1442.422682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.422682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.422682 (E_RNA)
where:
Base-Base interactions energy: -974.205
where: short stacking energy: -414.762
Base-Backbone interact. energy: 0.013
local terms energy: -468.230562
where:
bonds (distance) C4'-P energy: -91.751
bonds (distance) P-C4' energy: -97.392
flat angles C4'-P-C4' energy: -95.407
flat angles P-C4'-P energy: -64.307
tors. eta vs tors. theta energy: -119.373
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: 7, replica: 8
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1302.667967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.667967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.667967 (E_RNA)
where:
Base-Base interactions energy: -889.825
where: short stacking energy: -389.250
Base-Backbone interact. energy: -1.923
local terms energy: -410.920532
where:
bonds (distance) C4'-P energy: -76.259
bonds (distance) P-C4' energy: -80.874
flat angles C4'-P-C4' energy: -97.210
flat angles P-C4'-P energy: -61.430
tors. eta vs tors. theta energy: -95.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1129.665598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.665598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.665598 (E_RNA)
where:
Base-Base interactions energy: -752.394
where: short stacking energy: -361.615
Base-Backbone interact. energy: 0.651
local terms energy: -377.922356
where:
bonds (distance) C4'-P energy: -69.777
bonds (distance) P-C4' energy: -83.131
flat angles C4'-P-C4' energy: -95.342
flat angles P-C4'-P energy: -62.144
tors. eta vs tors. theta energy: -67.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -727.197165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.197165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.197165 (E_RNA)
where:
Base-Base interactions energy: -413.988
where: short stacking energy: -221.067
Base-Backbone interact. energy: 1.576
local terms energy: -314.785102
where:
bonds (distance) C4'-P energy: -79.933
bonds (distance) P-C4' energy: -80.565
flat angles C4'-P-C4' energy: -80.135
flat angles P-C4'-P energy: -50.898
tors. eta vs tors. theta energy: -23.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -567.587368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.587368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.587368 (E_RNA)
where:
Base-Base interactions energy: -267.287
where: short stacking energy: -172.748
Base-Backbone interact. energy: 0.995
local terms energy: -301.294685
where:
bonds (distance) C4'-P energy: -75.851
bonds (distance) P-C4' energy: -103.297
flat angles C4'-P-C4' energy: -70.473
flat angles P-C4'-P energy: -47.382
tors. eta vs tors. theta energy: -4.292
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: 443
Temperature: 0.900000
Total energy: -1906.005084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.005084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.005084 (E_RNA)
where:
Base-Base interactions energy: -1346.968
where: short stacking energy: -534.758
Base-Backbone interact. energy: -0.475
local terms energy: -558.561754
where:
bonds (distance) C4'-P energy: -103.438
bonds (distance) P-C4' energy: -103.904
flat angles C4'-P-C4' energy: -113.252
flat angles P-C4'-P energy: -82.732
tors. eta vs tors. theta energy: -155.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1751.093124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.093124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.093124 (E_RNA)
where:
Base-Base interactions energy: -1214.744
where: short stacking energy: -516.271
Base-Backbone interact. energy: -0.949
local terms energy: -535.400980
where:
bonds (distance) C4'-P energy: -102.714
bonds (distance) P-C4' energy: -95.683
flat angles C4'-P-C4' energy: -120.674
flat angles P-C4'-P energy: -71.035
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: 3, replica: 1
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1728.434936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.434936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.434936 (E_RNA)
where:
Base-Base interactions energy: -1218.029
where: short stacking energy: -514.402
Base-Backbone interact. energy: -2.014
local terms energy: -508.392176
where:
bonds (distance) C4'-P energy: -89.722
bonds (distance) P-C4' energy: -104.888
flat angles C4'-P-C4' energy: -109.685
flat angles P-C4'-P energy: -79.624
tors. eta vs tors. theta energy: -124.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1615.841970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.841970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.841970 (E_RNA)
where:
Base-Base interactions energy: -1146.273
where: short stacking energy: -463.994
Base-Backbone interact. energy: -0.490
local terms energy: -469.078995
where:
bonds (distance) C4'-P energy: -85.644
bonds (distance) P-C4' energy: -103.717
flat angles C4'-P-C4' energy: -100.924
flat angles P-C4'-P energy: -65.554
tors. eta vs tors. theta energy: -113.240
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: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1573.362530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.362530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.362530 (E_RNA)
where:
Base-Base interactions energy: -1094.027
where: short stacking energy: -458.829
Base-Backbone interact. energy: -2.365
local terms energy: -476.970748
where:
bonds (distance) C4'-P energy: -99.198
bonds (distance) P-C4' energy: -96.723
flat angles C4'-P-C4' energy: -108.600
flat angles P-C4'-P energy: -60.411
tors. eta vs tors. theta energy: -112.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1440.015762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.015762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.015762 (E_RNA)
where:
Base-Base interactions energy: -1004.200
where: short stacking energy: -419.348
Base-Backbone interact. energy: -0.501
local terms energy: -435.315327
where:
bonds (distance) C4'-P energy: -90.247
bonds (distance) P-C4' energy: -82.928
flat angles C4'-P-C4' energy: -102.736
flat angles P-C4'-P energy: -63.212
tors. eta vs tors. theta energy: -96.192
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: 8
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1343.540177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.540177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.540177 (E_RNA)
where:
Base-Base interactions energy: -884.794
where: short stacking energy: -391.641
Base-Backbone interact. energy: -1.002
local terms energy: -457.744183
where:
bonds (distance) C4'-P energy: -97.335
bonds (distance) P-C4' energy: -97.251
flat angles C4'-P-C4' energy: -104.398
flat angles P-C4'-P energy: -59.730
tors. eta vs tors. theta energy: -99.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1191.781819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.781819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.781819 (E_RNA)
where:
Base-Base interactions energy: -794.179
where: short stacking energy: -359.160
Base-Backbone interact. energy: 0.830
local terms energy: -398.432803
where:
bonds (distance) C4'-P energy: -81.536
bonds (distance) P-C4' energy: -94.548
flat angles C4'-P-C4' energy: -93.518
flat angles P-C4'-P energy: -49.212
tors. eta vs tors. theta energy: -79.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -665.592089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.592089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.592089 (E_RNA)
where:
Base-Base interactions energy: -331.621
where: short stacking energy: -173.855
Base-Backbone interact. energy: -2.535
local terms energy: -331.436547
where:
bonds (distance) C4'-P energy: -78.470
bonds (distance) P-C4' energy: -99.192
flat angles C4'-P-C4' energy: -88.429
flat angles P-C4'-P energy: -52.529
tors. eta vs tors. theta energy: -12.817
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: 443
Temperature: 1.350000
Total energy: -549.080793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.080793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.080793 (E_RNA)
where:
Base-Base interactions energy: -276.192
where: short stacking energy: -145.744
Base-Backbone interact. energy: 0.122
local terms energy: -273.010260
where:
bonds (distance) C4'-P energy: -92.822
bonds (distance) P-C4' energy: -73.283
flat angles C4'-P-C4' energy: -61.003
flat angles P-C4'-P energy: -50.856
tors. eta vs tors. theta energy: 4.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1901.991275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.991275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.991275 (E_RNA)
where:
Base-Base interactions energy: -1319.289
where: short stacking energy: -551.345
Base-Backbone interact. energy: -0.578
local terms energy: -582.124315
where:
bonds (distance) C4'-P energy: -93.032
bonds (distance) P-C4' energy: -113.162
flat angles C4'-P-C4' energy: -125.097
flat angles P-C4'-P energy: -90.921
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: 3
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1734.996100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.996100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.996100 (E_RNA)
where:
Base-Base interactions energy: -1219.165
where: short stacking energy: -491.519
Base-Backbone interact. energy: -4.268
local terms energy: -511.562413
where:
bonds (distance) C4'-P energy: -93.136
bonds (distance) P-C4' energy: -99.365
flat angles C4'-P-C4' energy: -104.257
flat angles P-C4'-P energy: -75.748
tors. eta vs tors. theta energy: -139.057
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: 3, replica: 1
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1720.365744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.365744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.365744 (E_RNA)
where:
Base-Base interactions energy: -1189.445
where: short stacking energy: -506.260
Base-Backbone interact. energy: -5.635
local terms energy: -525.285812
where:
bonds (distance) C4'-P energy: -94.068
bonds (distance) P-C4' energy: -98.776
flat angles C4'-P-C4' energy: -114.387
flat angles P-C4'-P energy: -77.618
tors. eta vs tors. theta energy: -140.437
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: 4, replica: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1647.686719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.686719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.686719 (E_RNA)
where:
Base-Base interactions energy: -1143.716
where: short stacking energy: -462.664
Base-Backbone interact. energy: -4.936
local terms energy: -499.034501
where:
bonds (distance) C4'-P energy: -84.270
bonds (distance) P-C4' energy: -112.623
flat angles C4'-P-C4' energy: -113.120
flat angles P-C4'-P energy: -74.981
tors. eta vs tors. theta energy: -114.041
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: 6
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1601.450647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.450647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.450647 (E_RNA)
where:
Base-Base interactions energy: -1102.402
where: short stacking energy: -452.759
Base-Backbone interact. energy: -1.827
local terms energy: -497.221975
where:
bonds (distance) C4'-P energy: -100.336
bonds (distance) P-C4' energy: -94.309
flat angles C4'-P-C4' energy: -112.144
flat angles P-C4'-P energy: -73.723
tors. eta vs tors. theta energy: -116.709
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: 4
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1453.283879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.283879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.283879 (E_RNA)
where:
Base-Base interactions energy: -1015.741
where: short stacking energy: -419.190
Base-Backbone interact. energy: -2.213
local terms energy: -435.329503
where:
bonds (distance) C4'-P energy: -76.868
bonds (distance) P-C4' energy: -87.172
flat angles C4'-P-C4' energy: -116.554
flat angles P-C4'-P energy: -59.300
tors. eta vs tors. theta energy: -95.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1275.843276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.843276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.843276 (E_RNA)
where:
Base-Base interactions energy: -863.933
where: short stacking energy: -366.594
Base-Backbone interact. energy: -0.331
local terms energy: -411.578908
where:
bonds (distance) C4'-P energy: -87.862
bonds (distance) P-C4' energy: -83.896
flat angles C4'-P-C4' energy: -91.892
flat angles P-C4'-P energy: -53.124
tors. eta vs tors. theta energy: -94.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1115.884644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.884644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.884644 (E_RNA)
where:
Base-Base interactions energy: -742.252
where: short stacking energy: -335.971
Base-Backbone interact. energy: 1.798
local terms energy: -375.431316
where:
bonds (distance) C4'-P energy: -73.387
bonds (distance) P-C4' energy: -87.666
flat angles C4'-P-C4' energy: -102.394
flat angles P-C4'-P energy: -41.914
tors. eta vs tors. theta energy: -70.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -706.398312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.398312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.398312 (E_RNA)
where:
Base-Base interactions energy: -394.306
where: short stacking energy: -206.423
Base-Backbone interact. energy: -1.311
local terms energy: -310.781541
where:
bonds (distance) C4'-P energy: -74.958
bonds (distance) P-C4' energy: -93.638
flat angles C4'-P-C4' energy: -86.119
flat angles P-C4'-P energy: -42.587
tors. eta vs tors. theta energy: -13.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -589.782298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.782298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.782298 (E_RNA)
where:
Base-Base interactions energy: -280.408
where: short stacking energy: -173.721
Base-Backbone interact. energy: 2.097
local terms energy: -311.471125
where:
bonds (distance) C4'-P energy: -84.965
bonds (distance) P-C4' energy: -88.699
flat angles C4'-P-C4' energy: -84.753
flat angles P-C4'-P energy: -52.044
tors. eta vs tors. theta energy: -1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1887.305859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.305859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.305859 (E_RNA)
where:
Base-Base interactions energy: -1353.011
where: short stacking energy: -555.252
Base-Backbone interact. energy: 0.437
local terms energy: -534.731540
where:
bonds (distance) C4'-P energy: -93.053
bonds (distance) P-C4' energy: -108.558
flat angles C4'-P-C4' energy: -111.684
flat angles P-C4'-P energy: -71.526
tors. eta vs tors. theta energy: -149.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1798.666055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.666055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.666055 (E_RNA)
where:
Base-Base interactions energy: -1249.710
where: short stacking energy: -519.318
Base-Backbone interact. energy: -1.378
local terms energy: -547.578544
where:
bonds (distance) C4'-P energy: -97.803
bonds (distance) P-C4' energy: -104.214
flat angles C4'-P-C4' energy: -112.747
flat angles P-C4'-P energy: -83.786
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: 3, replica: 3
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1704.981974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.981974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.981974 (E_RNA)
where:
Base-Base interactions energy: -1200.028
where: short stacking energy: -483.649
Base-Backbone interact. energy: -5.624
local terms energy: -499.330592
where:
bonds (distance) C4'-P energy: -93.215
bonds (distance) P-C4' energy: -90.441
flat angles C4'-P-C4' energy: -109.290
flat angles P-C4'-P energy: -72.956
tors. eta vs tors. theta energy: -133.427
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: 4, replica: 6
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1631.566965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.566965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.566965 (E_RNA)
where:
Base-Base interactions energy: -1137.075
where: short stacking energy: -479.574
Base-Backbone interact. energy: -0.375
local terms energy: -494.116657
where:
bonds (distance) C4'-P energy: -94.215
bonds (distance) P-C4' energy: -100.484
flat angles C4'-P-C4' energy: -98.518
flat angles P-C4'-P energy: -80.950
tors. eta vs tors. theta energy: -119.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1570.999724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.999724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.999724 (E_RNA)
where:
Base-Base interactions energy: -1075.024
where: short stacking energy: -446.574
Base-Backbone interact. energy: -0.580
local terms energy: -495.396127
where:
bonds (distance) C4'-P energy: -87.332
bonds (distance) P-C4' energy: -108.458
flat angles C4'-P-C4' energy: -104.891
flat angles P-C4'-P energy: -78.689
tors. eta vs tors. theta energy: -116.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1477.195260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.195260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.195260 (E_RNA)
where:
Base-Base interactions energy: -1035.987
where: short stacking energy: -417.017
Base-Backbone interact. energy: -0.852
local terms energy: -440.355588
where:
bonds (distance) C4'-P energy: -93.128
bonds (distance) P-C4' energy: -69.613
flat angles C4'-P-C4' energy: -97.657
flat angles P-C4'-P energy: -74.662
tors. eta vs tors. theta energy: -105.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1290.440274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.440274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.440274 (E_RNA)
where:
Base-Base interactions energy: -850.959
where: short stacking energy: -358.649
Base-Backbone interact. energy: 1.570
local terms energy: -441.051610
where:
bonds (distance) C4'-P energy: -95.357
bonds (distance) P-C4' energy: -86.977
flat angles C4'-P-C4' energy: -93.345
flat angles P-C4'-P energy: -71.351
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: 8, replica: 7
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1157.988785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.988785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.988785 (E_RNA)
where:
Base-Base interactions energy: -760.191
where: short stacking energy: -348.898
Base-Backbone interact. energy: 3.521
local terms energy: -401.319690
where:
bonds (distance) C4'-P energy: -92.425
bonds (distance) P-C4' energy: -84.463
flat angles C4'-P-C4' energy: -83.774
flat angles P-C4'-P energy: -59.769
tors. eta vs tors. theta energy: -80.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -689.723137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.723137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.723137 (E_RNA)
where:
Base-Base interactions energy: -393.559
where: short stacking energy: -207.701
Base-Backbone interact. energy: 0.626
local terms energy: -296.790359
where:
bonds (distance) C4'-P energy: -64.358
bonds (distance) P-C4' energy: -103.460
flat angles C4'-P-C4' energy: -66.053
flat angles P-C4'-P energy: -54.422
tors. eta vs tors. theta energy: -8.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -548.425777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.425777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.425777 (E_RNA)
where:
Base-Base interactions energy: -265.729
where: short stacking energy: -148.635
Base-Backbone interact. energy: 3.034
local terms energy: -285.731072
where:
bonds (distance) C4'-P energy: -93.230
bonds (distance) P-C4' energy: -92.216
flat angles C4'-P-C4' energy: -68.767
flat angles P-C4'-P energy: -39.382
tors. eta vs tors. theta energy: 7.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1910.943851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.943851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.943851 (E_RNA)
where:
Base-Base interactions energy: -1341.535
where: short stacking energy: -545.156
Base-Backbone interact. energy: -4.339
local terms energy: -565.070079
where:
bonds (distance) C4'-P energy: -95.092
bonds (distance) P-C4' energy: -103.448
flat angles C4'-P-C4' energy: -130.519
flat angles P-C4'-P energy: -80.242
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: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1768.636735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.636735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.636735 (E_RNA)
where:
Base-Base interactions energy: -1217.061
where: short stacking energy: -536.018
Base-Backbone interact. energy: -1.025
local terms energy: -550.550098
where:
bonds (distance) C4'-P energy: -112.245
bonds (distance) P-C4' energy: -102.157
flat angles C4'-P-C4' energy: -112.453
flat angles P-C4'-P energy: -63.189
tors. eta vs tors. theta energy: -160.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1719.745713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.745713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.745713 (E_RNA)
where:
Base-Base interactions energy: -1204.424
where: short stacking energy: -466.773
Base-Backbone interact. energy: -1.917
local terms energy: -513.404744
where:
bonds (distance) C4'-P energy: -91.338
bonds (distance) P-C4' energy: -99.402
flat angles C4'-P-C4' energy: -113.732
flat angles P-C4'-P energy: -79.507
tors. eta vs tors. theta energy: -129.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1645.786594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.786594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.786594 (E_RNA)
where:
Base-Base interactions energy: -1147.214
where: short stacking energy: -465.029
Base-Backbone interact. energy: -2.412
local terms energy: -496.160297
where:
bonds (distance) C4'-P energy: -89.499
bonds (distance) P-C4' energy: -92.413
flat angles C4'-P-C4' energy: -111.697
flat angles P-C4'-P energy: -80.309
tors. eta vs tors. theta energy: -122.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1565.892217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.892217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.892217 (E_RNA)
where:
Base-Base interactions energy: -1113.696
where: short stacking energy: -445.349
Base-Backbone interact. energy: -0.812
local terms energy: -451.384542
where:
bonds (distance) C4'-P energy: -92.818
bonds (distance) P-C4' energy: -85.885
flat angles C4'-P-C4' energy: -93.036
flat angles P-C4'-P energy: -72.704
tors. eta vs tors. theta energy: -106.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1456.155355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.155355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.155355 (E_RNA)
where:
Base-Base interactions energy: -1000.681
where: short stacking energy: -397.606
Base-Backbone interact. energy: -2.027
local terms energy: -453.447194
where:
bonds (distance) C4'-P energy: -88.814
bonds (distance) P-C4' energy: -96.684
flat angles C4'-P-C4' energy: -103.859
flat angles P-C4'-P energy: -57.462
tors. eta vs tors. theta energy: -106.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1300.125072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.125072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.125072 (E_RNA)
where:
Base-Base interactions energy: -892.200
where: short stacking energy: -396.853
Base-Backbone interact. energy: 1.565
local terms energy: -409.489441
where:
bonds (distance) C4'-P energy: -83.548
bonds (distance) P-C4' energy: -80.448
flat angles C4'-P-C4' energy: -94.987
flat angles P-C4'-P energy: -52.654
tors. eta vs tors. theta energy: -97.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1115.115466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.115466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.115466 (E_RNA)
where:
Base-Base interactions energy: -719.579
where: short stacking energy: -321.335
Base-Backbone interact. energy: -1.950
local terms energy: -393.586489
where:
bonds (distance) C4'-P energy: -87.896
bonds (distance) P-C4' energy: -92.029
flat angles C4'-P-C4' energy: -85.482
flat angles P-C4'-P energy: -62.925
tors. eta vs tors. theta energy: -65.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -700.688134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.688134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.688134 (E_RNA)
where:
Base-Base interactions energy: -376.729
where: short stacking energy: -205.510
Base-Backbone interact. energy: 1.432
local terms energy: -325.390794
where:
bonds (distance) C4'-P energy: -86.419
bonds (distance) P-C4' energy: -83.375
flat angles C4'-P-C4' energy: -81.135
flat angles P-C4'-P energy: -45.540
tors. eta vs tors. theta energy: -28.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -571.576217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.576217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.576217 (E_RNA)
where:
Base-Base interactions energy: -275.508
where: short stacking energy: -166.319
Base-Backbone interact. energy: -0.777
local terms energy: -295.291412
where:
bonds (distance) C4'-P energy: -79.363
bonds (distance) P-C4' energy: -91.591
flat angles C4'-P-C4' energy: -75.136
flat angles P-C4'-P energy: -55.496
tors. eta vs tors. theta energy: 6.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1901.719587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.719587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.719587 (E_RNA)
where:
Base-Base interactions energy: -1323.384
where: short stacking energy: -540.906
Base-Backbone interact. energy: -3.943
local terms energy: -574.391761
where:
bonds (distance) C4'-P energy: -101.437
bonds (distance) P-C4' energy: -110.796
flat angles C4'-P-C4' energy: -117.641
flat angles P-C4'-P energy: -86.478
tors. eta vs tors. theta energy: -158.040
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: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1797.849697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.849697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.849697 (E_RNA)
where:
Base-Base interactions energy: -1244.623
where: short stacking energy: -540.113
Base-Backbone interact. energy: 0.383
local terms energy: -553.609730
where:
bonds (distance) C4'-P energy: -97.994
bonds (distance) P-C4' energy: -113.807
flat angles C4'-P-C4' energy: -109.677
flat angles P-C4'-P energy: -76.135
tors. eta vs tors. theta energy: -155.998
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: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1702.399227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.399227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.399227 (E_RNA)
where:
Base-Base interactions energy: -1192.941
where: short stacking energy: -483.553
Base-Backbone interact. energy: -0.506
local terms energy: -508.952218
where:
bonds (distance) C4'-P energy: -96.777
bonds (distance) P-C4' energy: -103.498
flat angles C4'-P-C4' energy: -106.180
flat angles P-C4'-P energy: -69.839
tors. eta vs tors. theta energy: -132.658
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: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1610.055423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.055423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.055423 (E_RNA)
where:
Base-Base interactions energy: -1116.998
where: short stacking energy: -456.388
Base-Backbone interact. energy: -0.203
local terms energy: -492.854134
where:
bonds (distance) C4'-P energy: -94.171
bonds (distance) P-C4' energy: -91.513
flat angles C4'-P-C4' energy: -108.797
flat angles P-C4'-P energy: -68.023
tors. eta vs tors. theta energy: -130.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1570.143382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.143382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.143382 (E_RNA)
where:
Base-Base interactions energy: -1109.289
where: short stacking energy: -446.286
Base-Backbone interact. energy: -3.440
local terms energy: -457.415277
where:
bonds (distance) C4'-P energy: -92.875
bonds (distance) P-C4' energy: -88.573
flat angles C4'-P-C4' energy: -104.240
flat angles P-C4'-P energy: -59.704
tors. eta vs tors. theta energy: -112.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1438.655352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.655352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.655352 (E_RNA)
where:
Base-Base interactions energy: -990.163
where: short stacking energy: -402.035
Base-Backbone interact. energy: -1.371
local terms energy: -447.120776
where:
bonds (distance) C4'-P energy: -85.603
bonds (distance) P-C4' energy: -90.413
flat angles C4'-P-C4' energy: -109.866
flat angles P-C4'-P energy: -63.675
tors. eta vs tors. theta energy: -97.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1303.211627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.211627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.211627 (E_RNA)
where:
Base-Base interactions energy: -877.855
where: short stacking energy: -387.390
Base-Backbone interact. energy: 1.994
local terms energy: -427.350772
where:
bonds (distance) C4'-P energy: -81.850
bonds (distance) P-C4' energy: -83.231
flat angles C4'-P-C4' energy: -99.972
flat angles P-C4'-P energy: -69.592
tors. eta vs tors. theta energy: -92.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1120.664657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.664657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.664657 (E_RNA)
where:
Base-Base interactions energy: -731.175
where: short stacking energy: -289.225
Base-Backbone interact. energy: -2.621
local terms energy: -386.868424
where:
bonds (distance) C4'-P energy: -84.327
bonds (distance) P-C4' energy: -94.759
flat angles C4'-P-C4' energy: -100.349
flat angles P-C4'-P energy: -61.757
tors. eta vs tors. theta energy: -45.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -722.863325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.863325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.863325 (E_RNA)
where:
Base-Base interactions energy: -395.454
where: short stacking energy: -214.732
Base-Backbone interact. energy: 0.086
local terms energy: -327.495968
where:
bonds (distance) C4'-P energy: -78.313
bonds (distance) P-C4' energy: -93.431
flat angles C4'-P-C4' energy: -86.940
flat angles P-C4'-P energy: -53.951
tors. eta vs tors. theta energy: -14.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -541.632149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.632149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.632149 (E_RNA)
where:
Base-Base interactions energy: -254.650
where: short stacking energy: -159.895
Base-Backbone interact. energy: 0.789
local terms energy: -287.771862
where:
bonds (distance) C4'-P energy: -75.720
bonds (distance) P-C4' energy: -103.929
flat angles C4'-P-C4' energy: -76.532
flat angles P-C4'-P energy: -38.225
tors. eta vs tors. theta energy: 6.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1877.397502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.397502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.397502 (E_RNA)
where:
Base-Base interactions energy: -1308.046
where: short stacking energy: -542.706
Base-Backbone interact. energy: -1.090
local terms energy: -568.260904
where:
bonds (distance) C4'-P energy: -97.491
bonds (distance) P-C4' energy: -107.853
flat angles C4'-P-C4' energy: -126.370
flat angles P-C4'-P energy: -79.127
tors. eta vs tors. theta energy: -157.420
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: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1806.883881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.883881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.883881 (E_RNA)
where:
Base-Base interactions energy: -1279.329
where: short stacking energy: -544.666
Base-Backbone interact. energy: -3.149
local terms energy: -524.406141
where:
bonds (distance) C4'-P energy: -93.589
bonds (distance) P-C4' energy: -102.410
flat angles C4'-P-C4' energy: -110.431
flat angles P-C4'-P energy: -68.823
tors. eta vs tors. theta energy: -149.153
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: 3
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1749.468813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.468813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.468813 (E_RNA)
where:
Base-Base interactions energy: -1212.568
where: short stacking energy: -493.632
Base-Backbone interact. energy: 2.449
local terms energy: -539.349775
where:
bonds (distance) C4'-P energy: -99.697
bonds (distance) P-C4' energy: -106.207
flat angles C4'-P-C4' energy: -118.672
flat angles P-C4'-P energy: -89.656
tors. eta vs tors. theta energy: -125.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1585.695495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.695495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.695495 (E_RNA)
where:
Base-Base interactions energy: -1086.890
where: short stacking energy: -449.175
Base-Backbone interact. energy: -2.190
local terms energy: -496.615953
where:
bonds (distance) C4'-P energy: -97.725
bonds (distance) P-C4' energy: -102.943
flat angles C4'-P-C4' energy: -106.869
flat angles P-C4'-P energy: -81.660
tors. eta vs tors. theta energy: -107.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1560.795180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.795180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.795180 (E_RNA)
where:
Base-Base interactions energy: -1075.615
where: short stacking energy: -457.251
Base-Backbone interact. energy: -0.377
local terms energy: -484.803420
where:
bonds (distance) C4'-P energy: -100.942
bonds (distance) P-C4' energy: -92.045
flat angles C4'-P-C4' energy: -102.584
flat angles P-C4'-P energy: -75.877
tors. eta vs tors. theta energy: -113.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1477.436612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.436612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.436612 (E_RNA)
where:
Base-Base interactions energy: -1035.596
where: short stacking energy: -441.171
Base-Backbone interact. energy: 0.234
local terms energy: -442.074113
where:
bonds (distance) C4'-P energy: -83.757
bonds (distance) P-C4' energy: -81.771
flat angles C4'-P-C4' energy: -97.740
flat angles P-C4'-P energy: -59.836
tors. eta vs tors. theta energy: -118.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1265.890402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.890402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.890402 (E_RNA)
where:
Base-Base interactions energy: -856.297
where: short stacking energy: -363.794
Base-Backbone interact. energy: -2.430
local terms energy: -407.163526
where:
bonds (distance) C4'-P energy: -82.883
bonds (distance) P-C4' energy: -85.702
flat angles C4'-P-C4' energy: -91.184
flat angles P-C4'-P energy: -55.190
tors. eta vs tors. theta energy: -92.204
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: 8, replica: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1209.515933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.515933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.515933 (E_RNA)
where:
Base-Base interactions energy: -847.408
where: short stacking energy: -345.335
Base-Backbone interact. energy: -3.230
local terms energy: -358.878340
where:
bonds (distance) C4'-P energy: -58.404
bonds (distance) P-C4' energy: -82.376
flat angles C4'-P-C4' energy: -85.763
flat angles P-C4'-P energy: -64.979
tors. eta vs tors. theta energy: -67.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -736.476681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.476681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.476681 (E_RNA)
where:
Base-Base interactions energy: -435.253
where: short stacking energy: -233.278
Base-Backbone interact. energy: 1.529
local terms energy: -302.752412
where:
bonds (distance) C4'-P energy: -81.089
bonds (distance) P-C4' energy: -82.968
flat angles C4'-P-C4' energy: -72.535
flat angles P-C4'-P energy: -42.733
tors. eta vs tors. theta energy: -23.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -556.848686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.848686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.848686 (E_RNA)
where:
Base-Base interactions energy: -285.269
where: short stacking energy: -165.248
Base-Backbone interact. energy: -2.170
local terms energy: -269.409987
where:
bonds (distance) C4'-P energy: -83.000
bonds (distance) P-C4' energy: -70.459
flat angles C4'-P-C4' energy: -75.631
flat angles P-C4'-P energy: -42.891
tors. eta vs tors. theta energy: 2.570
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: 449
Temperature: 0.900000
Total energy: -1868.445866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.445866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.445866 (E_RNA)
where:
Base-Base interactions energy: -1298.999
where: short stacking energy: -538.115
Base-Backbone interact. energy: -4.196
local terms energy: -565.250231
where:
bonds (distance) C4'-P energy: -109.949
bonds (distance) P-C4' energy: -108.828
flat angles C4'-P-C4' energy: -112.789
flat angles P-C4'-P energy: -79.642
tors. eta vs tors. theta energy: -154.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1784.242936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.242936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.242936 (E_RNA)
where:
Base-Base interactions energy: -1222.883
where: short stacking energy: -553.294
Base-Backbone interact. energy: -2.450
local terms energy: -558.909237
where:
bonds (distance) C4'-P energy: -101.712
bonds (distance) P-C4' energy: -104.530
flat angles C4'-P-C4' energy: -118.147
flat angles P-C4'-P energy: -76.752
tors. eta vs tors. theta energy: -157.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1757.137137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.137137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.137137 (E_RNA)
where:
Base-Base interactions energy: -1245.745
where: short stacking energy: -478.165
Base-Backbone interact. energy: -1.017
local terms energy: -510.375221
where:
bonds (distance) C4'-P energy: -93.626
bonds (distance) P-C4' energy: -100.951
flat angles C4'-P-C4' energy: -114.743
flat angles P-C4'-P energy: -70.201
tors. eta vs tors. theta energy: -130.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1602.621012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.621012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.621012 (E_RNA)
where:
Base-Base interactions energy: -1102.858
where: short stacking energy: -445.285
Base-Backbone interact. energy: -3.098
local terms energy: -496.664288
where:
bonds (distance) C4'-P energy: -100.457
bonds (distance) P-C4' energy: -102.862
flat angles C4'-P-C4' energy: -109.182
flat angles P-C4'-P energy: -72.740
tors. eta vs tors. theta energy: -111.424
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: 5
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1539.387017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.387017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.387017 (E_RNA)
where:
Base-Base interactions energy: -1072.663
where: short stacking energy: -472.444
Base-Backbone interact. energy: 0.981
local terms energy: -467.705080
where:
bonds (distance) C4'-P energy: -78.448
bonds (distance) P-C4' energy: -88.601
flat angles C4'-P-C4' energy: -115.197
flat angles P-C4'-P energy: -70.414
tors. eta vs tors. theta energy: -115.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1492.246927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.246927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.246927 (E_RNA)
where:
Base-Base interactions energy: -1032.839
where: short stacking energy: -422.986
Base-Backbone interact. energy: -0.000
local terms energy: -459.407673
where:
bonds (distance) C4'-P energy: -82.622
bonds (distance) P-C4' energy: -104.771
flat angles C4'-P-C4' energy: -107.264
flat angles P-C4'-P energy: -54.016
tors. eta vs tors. theta energy: -110.735
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: 8
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1252.585531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.585531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.585531 (E_RNA)
where:
Base-Base interactions energy: -844.146
where: short stacking energy: -360.892
Base-Backbone interact. energy: -2.532
local terms energy: -405.906988
where:
bonds (distance) C4'-P energy: -69.914
bonds (distance) P-C4' energy: -92.656
flat angles C4'-P-C4' energy: -91.984
flat angles P-C4'-P energy: -67.661
tors. eta vs tors. theta energy: -83.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1197.419936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.419936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.419936 (E_RNA)
where:
Base-Base interactions energy: -776.897
where: short stacking energy: -312.631
Base-Backbone interact. energy: 3.819
local terms energy: -424.342286
where:
bonds (distance) C4'-P energy: -80.610
bonds (distance) P-C4' energy: -102.701
flat angles C4'-P-C4' energy: -99.272
flat angles P-C4'-P energy: -67.462
tors. eta vs tors. theta energy: -74.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -679.726102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.726102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.726102 (E_RNA)
where:
Base-Base interactions energy: -386.715
where: short stacking energy: -203.716
Base-Backbone interact. energy: 1.926
local terms energy: -294.937442
where:
bonds (distance) C4'-P energy: -70.994
bonds (distance) P-C4' energy: -93.816
flat angles C4'-P-C4' energy: -62.671
flat angles P-C4'-P energy: -50.839
tors. eta vs tors. theta energy: -16.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -532.527772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.527772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.527772 (E_RNA)
where:
Base-Base interactions energy: -260.492
where: short stacking energy: -163.035
Base-Backbone interact. energy: -0.933
local terms energy: -271.103289
where:
bonds (distance) C4'-P energy: -78.570
bonds (distance) P-C4' energy: -74.358
flat angles C4'-P-C4' energy: -70.740
flat angles P-C4'-P energy: -39.345
tors. eta vs tors. theta energy: -8.091
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: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1888.642028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.642028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.642028 (E_RNA)
where:
Base-Base interactions energy: -1327.479
where: short stacking energy: -549.035
Base-Backbone interact. energy: -3.389
local terms energy: -557.773523
where:
bonds (distance) C4'-P energy: -107.438
bonds (distance) P-C4' energy: -96.334
flat angles C4'-P-C4' energy: -128.471
flat angles P-C4'-P energy: -76.758
tors. eta vs tors. theta energy: -148.772
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: 1
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1772.425468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.425468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.425468 (E_RNA)
where:
Base-Base interactions energy: -1214.233
where: short stacking energy: -529.658
Base-Backbone interact. energy: -1.952
local terms energy: -556.240332
where:
bonds (distance) C4'-P energy: -98.937
bonds (distance) P-C4' energy: -105.696
flat angles C4'-P-C4' energy: -118.116
flat angles P-C4'-P energy: -78.696
tors. eta vs tors. theta energy: -154.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1652.705957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.705957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.705957 (E_RNA)
where:
Base-Base interactions energy: -1151.952
where: short stacking energy: -485.502
Base-Backbone interact. energy: 1.009
local terms energy: -501.762271
where:
bonds (distance) C4'-P energy: -96.068
bonds (distance) P-C4' energy: -99.869
flat angles C4'-P-C4' energy: -108.799
flat angles P-C4'-P energy: -74.630
tors. eta vs tors. theta energy: -122.395
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: 3
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1674.485334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.485334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.485334 (E_RNA)
where:
Base-Base interactions energy: -1170.617
where: short stacking energy: -484.275
Base-Backbone interact. energy: 2.017
local terms energy: -505.885682
where:
bonds (distance) C4'-P energy: -83.574
bonds (distance) P-C4' energy: -94.879
flat angles C4'-P-C4' energy: -118.198
flat angles P-C4'-P energy: -65.960
tors. eta vs tors. theta energy: -143.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1602.729917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.729917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.729917 (E_RNA)
where:
Base-Base interactions energy: -1124.561
where: short stacking energy: -460.400
Base-Backbone interact. energy: -1.462
local terms energy: -476.707021
where:
bonds (distance) C4'-P energy: -69.919
bonds (distance) P-C4' energy: -107.298
flat angles C4'-P-C4' energy: -106.043
flat angles P-C4'-P energy: -77.212
tors. eta vs tors. theta energy: -116.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1471.925130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.925130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.925130 (E_RNA)
where:
Base-Base interactions energy: -1013.682
where: short stacking energy: -413.906
Base-Backbone interact. energy: -0.971
local terms energy: -457.272207
where:
bonds (distance) C4'-P energy: -82.056
bonds (distance) P-C4' energy: -106.305
flat angles C4'-P-C4' energy: -101.799
flat angles P-C4'-P energy: -63.148
tors. eta vs tors. theta energy: -103.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1262.920736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.920736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.920736 (E_RNA)
where:
Base-Base interactions energy: -850.840
where: short stacking energy: -357.598
Base-Backbone interact. energy: -1.898
local terms energy: -410.182332
where:
bonds (distance) C4'-P energy: -86.898
bonds (distance) P-C4' energy: -97.432
flat angles C4'-P-C4' energy: -99.527
flat angles P-C4'-P energy: -46.789
tors. eta vs tors. theta energy: -79.536
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: 8, replica: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1159.079661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.079661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.079661 (E_RNA)
where:
Base-Base interactions energy: -790.507
where: short stacking energy: -336.933
Base-Backbone interact. energy: 2.750
local terms energy: -371.322831
where:
bonds (distance) C4'-P energy: -76.759
bonds (distance) P-C4' energy: -80.885
flat angles C4'-P-C4' energy: -84.914
flat angles P-C4'-P energy: -63.493
tors. eta vs tors. theta energy: -65.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -701.346536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.346536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.346536 (E_RNA)
where:
Base-Base interactions energy: -377.857
where: short stacking energy: -176.423
Base-Backbone interact. energy: 1.086
local terms energy: -324.575492
where:
bonds (distance) C4'-P energy: -76.521
bonds (distance) P-C4' energy: -96.301
flat angles C4'-P-C4' energy: -85.678
flat angles P-C4'-P energy: -57.678
tors. eta vs tors. theta energy: -8.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -560.493091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.493091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.493091 (E_RNA)
where:
Base-Base interactions energy: -252.760
where: short stacking energy: -168.282
Base-Backbone interact. energy: -2.427
local terms energy: -305.306126
where:
bonds (distance) C4'-P energy: -79.625
bonds (distance) P-C4' energy: -84.371
flat angles C4'-P-C4' energy: -71.624
flat angles P-C4'-P energy: -41.762
tors. eta vs tors. theta energy: -27.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1881.254049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.254049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.254049 (E_RNA)
where:
Base-Base interactions energy: -1328.924
where: short stacking energy: -526.915
Base-Backbone interact. energy: -4.919
local terms energy: -547.411672
where:
bonds (distance) C4'-P energy: -103.415
bonds (distance) P-C4' energy: -86.986
flat angles C4'-P-C4' energy: -120.730
flat angles P-C4'-P energy: -91.881
tors. eta vs tors. theta energy: -144.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1776.864696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.864696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.864696 (E_RNA)
where:
Base-Base interactions energy: -1224.500
where: short stacking energy: -525.553
Base-Backbone interact. energy: -3.509
local terms energy: -548.855138
where:
bonds (distance) C4'-P energy: -103.858
bonds (distance) P-C4' energy: -104.353
flat angles C4'-P-C4' energy: -120.875
flat angles P-C4'-P energy: -75.966
tors. eta vs tors. theta energy: -143.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1678.451273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.451273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.451273 (E_RNA)
where:
Base-Base interactions energy: -1189.937
where: short stacking energy: -485.467
Base-Backbone interact. energy: -2.581
local terms energy: -485.933903
where:
bonds (distance) C4'-P energy: -86.964
bonds (distance) P-C4' energy: -102.353
flat angles C4'-P-C4' energy: -94.666
flat angles P-C4'-P energy: -76.025
tors. eta vs tors. theta energy: -125.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1595.163401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.163401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.163401 (E_RNA)
where:
Base-Base interactions energy: -1111.098
where: short stacking energy: -477.626
Base-Backbone interact. energy: -6.094
local terms energy: -477.971820
where:
bonds (distance) C4'-P energy: -81.305
bonds (distance) P-C4' energy: -92.608
flat angles C4'-P-C4' energy: -99.102
flat angles P-C4'-P energy: -82.904
tors. eta vs tors. theta energy: -122.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1608.236221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.236221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.236221 (E_RNA)
where:
Base-Base interactions energy: -1124.582
where: short stacking energy: -468.529
Base-Backbone interact. energy: 1.507
local terms energy: -485.161225
where:
bonds (distance) C4'-P energy: -92.511
bonds (distance) P-C4' energy: -79.318
flat angles C4'-P-C4' energy: -113.465
flat angles P-C4'-P energy: -70.822
tors. eta vs tors. theta energy: -129.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1448.443938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.443938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.443938 (E_RNA)
where:
Base-Base interactions energy: -977.425
where: short stacking energy: -394.966
Base-Backbone interact. energy: 6.717
local terms energy: -477.735956
where:
bonds (distance) C4'-P energy: -96.865
bonds (distance) P-C4' energy: -93.550
flat angles C4'-P-C4' energy: -111.012
flat angles P-C4'-P energy: -75.563
tors. eta vs tors. theta energy: -100.745
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: 8
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1235.908315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.908315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.908315 (E_RNA)
where:
Base-Base interactions energy: -806.389
where: short stacking energy: -378.601
Base-Backbone interact. energy: 2.101
local terms energy: -431.620281
where:
bonds (distance) C4'-P energy: -97.594
bonds (distance) P-C4' energy: -98.778
flat angles C4'-P-C4' energy: -92.079
flat angles P-C4'-P energy: -52.423
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: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1174.846500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.846500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.846500 (E_RNA)
where:
Base-Base interactions energy: -797.249
where: short stacking energy: -342.891
Base-Backbone interact. energy: 0.646
local terms energy: -378.243663
where:
bonds (distance) C4'-P energy: -96.024
bonds (distance) P-C4' energy: -75.205
flat angles C4'-P-C4' energy: -86.989
flat angles P-C4'-P energy: -54.956
tors. eta vs tors. theta energy: -65.069
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: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -670.422470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.422470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.422470 (E_RNA)
where:
Base-Base interactions energy: -361.757
where: short stacking energy: -190.773
Base-Backbone interact. energy: -0.638
local terms energy: -308.027200
where:
bonds (distance) C4'-P energy: -80.724
bonds (distance) P-C4' energy: -83.478
flat angles C4'-P-C4' energy: -76.517
flat angles P-C4'-P energy: -59.719
tors. eta vs tors. theta energy: -7.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -555.107304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.107304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.107304 (E_RNA)
where:
Base-Base interactions energy: -256.347
where: short stacking energy: -152.768
Base-Backbone interact. energy: -0.108
local terms energy: -298.652502
where:
bonds (distance) C4'-P energy: -94.284
bonds (distance) P-C4' energy: -79.548
flat angles C4'-P-C4' energy: -89.017
flat angles P-C4'-P energy: -43.631
tors. eta vs tors. theta energy: 7.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1887.907554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.907554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.907554 (E_RNA)
where:
Base-Base interactions energy: -1317.328
where: short stacking energy: -547.161
Base-Backbone interact. energy: -3.960
local terms energy: -566.620242
where:
bonds (distance) C4'-P energy: -91.468
bonds (distance) P-C4' energy: -104.783
flat angles C4'-P-C4' energy: -122.594
flat angles P-C4'-P energy: -93.931
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: 2, replica: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1798.858365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.858365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.858365 (E_RNA)
where:
Base-Base interactions energy: -1254.760
where: short stacking energy: -538.439
Base-Backbone interact. energy: -0.903
local terms energy: -543.195915
where:
bonds (distance) C4'-P energy: -94.508
bonds (distance) P-C4' energy: -88.353
flat angles C4'-P-C4' energy: -120.214
flat angles P-C4'-P energy: -80.448
tors. eta vs tors. theta energy: -159.673
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: 6
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1685.981107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.981107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.981107 (E_RNA)
where:
Base-Base interactions energy: -1177.980
where: short stacking energy: -504.948
Base-Backbone interact. energy: -2.467
local terms energy: -505.533564
where:
bonds (distance) C4'-P energy: -104.503
bonds (distance) P-C4' energy: -93.788
flat angles C4'-P-C4' energy: -113.615
flat angles P-C4'-P energy: -65.932
tors. eta vs tors. theta energy: -127.695
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: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1612.722802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.722802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.722802 (E_RNA)
where:
Base-Base interactions energy: -1093.845
where: short stacking energy: -456.634
Base-Backbone interact. energy: -3.453
local terms energy: -515.424289
where:
bonds (distance) C4'-P energy: -92.835
bonds (distance) P-C4' energy: -117.761
flat angles C4'-P-C4' energy: -108.611
flat angles P-C4'-P energy: -75.584
tors. eta vs tors. theta energy: -120.633
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: 3
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1585.624203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.624203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.624203 (E_RNA)
where:
Base-Base interactions energy: -1114.662
where: short stacking energy: -441.460
Base-Backbone interact. energy: 1.881
local terms energy: -472.843405
where:
bonds (distance) C4'-P energy: -108.568
bonds (distance) P-C4' energy: -89.362
flat angles C4'-P-C4' energy: -106.406
flat angles P-C4'-P energy: -60.830
tors. eta vs tors. theta energy: -107.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1463.595738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.595738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.595738 (E_RNA)
where:
Base-Base interactions energy: -1031.839
where: short stacking energy: -428.828
Base-Backbone interact. energy: -0.155
local terms energy: -431.601000
where:
bonds (distance) C4'-P energy: -82.820
bonds (distance) P-C4' energy: -87.209
flat angles C4'-P-C4' energy: -100.520
flat angles P-C4'-P energy: -63.030
tors. eta vs tors. theta energy: -98.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1227.497564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.497564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.497564 (E_RNA)
where:
Base-Base interactions energy: -813.926
where: short stacking energy: -339.145
Base-Backbone interact. energy: -0.994
local terms energy: -412.577433
where:
bonds (distance) C4'-P energy: -80.587
bonds (distance) P-C4' energy: -93.658
flat angles C4'-P-C4' energy: -99.965
flat angles P-C4'-P energy: -53.518
tors. eta vs tors. theta energy: -84.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1229.148068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.148068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.148068 (E_RNA)
where:
Base-Base interactions energy: -820.846
where: short stacking energy: -361.255
Base-Backbone interact. energy: 2.109
local terms energy: -410.411385
where:
bonds (distance) C4'-P energy: -82.312
bonds (distance) P-C4' energy: -93.515
flat angles C4'-P-C4' energy: -94.687
flat angles P-C4'-P energy: -55.023
tors. eta vs tors. theta energy: -84.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -686.503628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.503628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.503628 (E_RNA)
where:
Base-Base interactions energy: -366.188
where: short stacking energy: -187.903
Base-Backbone interact. energy: -1.882
local terms energy: -318.433336
where:
bonds (distance) C4'-P energy: -85.789
bonds (distance) P-C4' energy: -88.032
flat angles C4'-P-C4' energy: -75.582
flat angles P-C4'-P energy: -49.265
tors. eta vs tors. theta energy: -19.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -586.594759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.594759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.594759 (E_RNA)
where:
Base-Base interactions energy: -268.697
where: short stacking energy: -178.289
Base-Backbone interact. energy: -0.070
local terms energy: -317.828037
where:
bonds (distance) C4'-P energy: -96.676
bonds (distance) P-C4' energy: -93.176
flat angles C4'-P-C4' energy: -92.079
flat angles P-C4'-P energy: -40.490
tors. eta vs tors. theta energy: 4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1888.495924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.495924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.495924 (E_RNA)
where:
Base-Base interactions energy: -1324.316
where: short stacking energy: -550.435
Base-Backbone interact. energy: -4.560
local terms energy: -559.620509
where:
bonds (distance) C4'-P energy: -100.182
bonds (distance) P-C4' energy: -107.699
flat angles C4'-P-C4' energy: -113.572
flat angles P-C4'-P energy: -86.002
tors. eta vs tors. theta energy: -152.164
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: 453
Temperature: 0.950000
Total energy: -1804.516363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.516363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.516363 (E_RNA)
where:
Base-Base interactions energy: -1264.406
where: short stacking energy: -519.423
Base-Backbone interact. energy: -2.048
local terms energy: -538.061503
where:
bonds (distance) C4'-P energy: -111.085
bonds (distance) P-C4' energy: -86.211
flat angles C4'-P-C4' energy: -115.263
flat angles P-C4'-P energy: -80.701
tors. eta vs tors. theta energy: -144.801
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: 6
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1666.476886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.476886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.476886 (E_RNA)
where:
Base-Base interactions energy: -1162.635
where: short stacking energy: -500.125
Base-Backbone interact. energy: -4.683
local terms energy: -499.159085
where:
bonds (distance) C4'-P energy: -93.263
bonds (distance) P-C4' energy: -97.081
flat angles C4'-P-C4' energy: -112.065
flat angles P-C4'-P energy: -67.529
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: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1610.159698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.159698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.159698 (E_RNA)
where:
Base-Base interactions energy: -1116.611
where: short stacking energy: -478.557
Base-Backbone interact. energy: 0.752
local terms energy: -494.301661
where:
bonds (distance) C4'-P energy: -86.831
bonds (distance) P-C4' energy: -94.644
flat angles C4'-P-C4' energy: -108.239
flat angles P-C4'-P energy: -81.653
tors. eta vs tors. theta energy: -122.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1553.736851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.736851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.736851 (E_RNA)
where:
Base-Base interactions energy: -1080.806
where: short stacking energy: -461.638
Base-Backbone interact. energy: -2.324
local terms energy: -470.606754
where:
bonds (distance) C4'-P energy: -89.212
bonds (distance) P-C4' energy: -92.473
flat angles C4'-P-C4' energy: -101.086
flat angles P-C4'-P energy: -59.816
tors. eta vs tors. theta energy: -128.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1446.737526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.737526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.737526 (E_RNA)
where:
Base-Base interactions energy: -1005.272
where: short stacking energy: -400.028
Base-Backbone interact. energy: -2.537
local terms energy: -438.928672
where:
bonds (distance) C4'-P energy: -76.828
bonds (distance) P-C4' energy: -91.541
flat angles C4'-P-C4' energy: -112.874
flat angles P-C4'-P energy: -67.498
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: 7, replica: 7
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1251.554912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.554912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.554912 (E_RNA)
where:
Base-Base interactions energy: -865.818
where: short stacking energy: -362.148
Base-Backbone interact. energy: -0.918
local terms energy: -384.818232
where:
bonds (distance) C4'-P energy: -88.050
bonds (distance) P-C4' energy: -85.845
flat angles C4'-P-C4' energy: -88.649
flat angles P-C4'-P energy: -58.081
tors. eta vs tors. theta energy: -64.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1175.158550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.158550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.158550 (E_RNA)
where:
Base-Base interactions energy: -768.402
where: short stacking energy: -330.476
Base-Backbone interact. energy: 1.783
local terms energy: -408.539388
where:
bonds (distance) C4'-P energy: -95.860
bonds (distance) P-C4' energy: -80.505
flat angles C4'-P-C4' energy: -86.486
flat angles P-C4'-P energy: -68.688
tors. eta vs tors. theta energy: -77.000
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: 9
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -697.901676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.901676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.901676 (E_RNA)
where:
Base-Base interactions energy: -360.648
where: short stacking energy: -199.803
Base-Backbone interact. energy: 3.960
local terms energy: -341.214521
where:
bonds (distance) C4'-P energy: -107.984
bonds (distance) P-C4' energy: -78.856
flat angles C4'-P-C4' energy: -74.344
flat angles P-C4'-P energy: -61.126
tors. eta vs tors. theta energy: -18.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -559.930083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.930083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.930083 (E_RNA)
where:
Base-Base interactions energy: -281.513
where: short stacking energy: -149.323
Base-Backbone interact. energy: -0.616
local terms energy: -277.801010
where:
bonds (distance) C4'-P energy: -66.371
bonds (distance) P-C4' energy: -104.183
flat angles C4'-P-C4' energy: -78.685
flat angles P-C4'-P energy: -31.184
tors. eta vs tors. theta energy: 2.623
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: 454
Temperature: 0.900000
Total energy: -1884.101515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.101515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.101515 (E_RNA)
where:
Base-Base interactions energy: -1316.517
where: short stacking energy: -551.600
Base-Backbone interact. energy: -2.160
local terms energy: -565.425026
where:
bonds (distance) C4'-P energy: -105.963
bonds (distance) P-C4' energy: -104.510
flat angles C4'-P-C4' energy: -124.292
flat angles P-C4'-P energy: -79.584
tors. eta vs tors. theta energy: -151.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1786.485261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.485261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.485261 (E_RNA)
where:
Base-Base interactions energy: -1257.664
where: short stacking energy: -528.792
Base-Backbone interact. energy: -2.636
local terms energy: -526.185306
where:
bonds (distance) C4'-P energy: -97.713
bonds (distance) P-C4' energy: -99.116
flat angles C4'-P-C4' energy: -109.126
flat angles P-C4'-P energy: -77.672
tors. eta vs tors. theta energy: -142.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1651.587897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.587897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.587897 (E_RNA)
where:
Base-Base interactions energy: -1142.291
where: short stacking energy: -478.220
Base-Backbone interact. energy: 0.018
local terms energy: -509.315484
where:
bonds (distance) C4'-P energy: -83.825
bonds (distance) P-C4' energy: -108.426
flat angles C4'-P-C4' energy: -116.777
flat angles P-C4'-P energy: -71.799
tors. eta vs tors. theta energy: -128.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1597.544151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.544151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.544151 (E_RNA)
where:
Base-Base interactions energy: -1104.099
where: short stacking energy: -484.203
Base-Backbone interact. energy: -1.365
local terms energy: -492.080470
where:
bonds (distance) C4'-P energy: -96.649
bonds (distance) P-C4' energy: -87.645
flat angles C4'-P-C4' energy: -111.737
flat angles P-C4'-P energy: -76.966
tors. eta vs tors. theta energy: -119.084
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: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1614.013518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.013518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.013518 (E_RNA)
where:
Base-Base interactions energy: -1104.550
where: short stacking energy: -471.129
Base-Backbone interact. energy: -1.646
local terms energy: -507.817783
where:
bonds (distance) C4'-P energy: -96.109
bonds (distance) P-C4' energy: -91.745
flat angles C4'-P-C4' energy: -103.231
flat angles P-C4'-P energy: -82.528
tors. eta vs tors. theta energy: -134.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1442.924864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.924864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.924864 (E_RNA)
where:
Base-Base interactions energy: -1008.386
where: short stacking energy: -409.312
Base-Backbone interact. energy: 2.359
local terms energy: -436.897287
where:
bonds (distance) C4'-P energy: -95.233
bonds (distance) P-C4' energy: -81.846
flat angles C4'-P-C4' energy: -109.826
flat angles P-C4'-P energy: -46.488
tors. eta vs tors. theta energy: -103.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1245.296471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.296471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.296471 (E_RNA)
where:
Base-Base interactions energy: -851.389
where: short stacking energy: -355.071
Base-Backbone interact. energy: -2.608
local terms energy: -391.299754
where:
bonds (distance) C4'-P energy: -86.037
bonds (distance) P-C4' energy: -81.548
flat angles C4'-P-C4' energy: -84.540
flat angles P-C4'-P energy: -56.585
tors. eta vs tors. theta energy: -82.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1213.780097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.780097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.780097 (E_RNA)
where:
Base-Base interactions energy: -780.270
where: short stacking energy: -338.915
Base-Backbone interact. energy: -3.234
local terms energy: -430.276367
where:
bonds (distance) C4'-P energy: -84.337
bonds (distance) P-C4' energy: -109.517
flat angles C4'-P-C4' energy: -97.074
flat angles P-C4'-P energy: -63.742
tors. eta vs tors. theta energy: -75.607
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: 9
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -699.882174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.882174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.882174 (E_RNA)
where:
Base-Base interactions energy: -373.632
where: short stacking energy: -194.044
Base-Backbone interact. energy: 2.620
local terms energy: -328.870495
where:
bonds (distance) C4'-P energy: -86.615
bonds (distance) P-C4' energy: -94.156
flat angles C4'-P-C4' energy: -85.238
flat angles P-C4'-P energy: -45.711
tors. eta vs tors. theta energy: -17.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -540.371182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.371182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.371182 (E_RNA)
where:
Base-Base interactions energy: -256.999
where: short stacking energy: -155.854
Base-Backbone interact. energy: -2.323
local terms energy: -281.049361
where:
bonds (distance) C4'-P energy: -90.107
bonds (distance) P-C4' energy: -94.530
flat angles C4'-P-C4' energy: -79.307
flat angles P-C4'-P energy: -40.153
tors. eta vs tors. theta energy: 23.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1904.389691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.389691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.389691 (E_RNA)
where:
Base-Base interactions energy: -1339.366
where: short stacking energy: -555.609
Base-Backbone interact. energy: 4.239
local terms energy: -569.262085
where:
bonds (distance) C4'-P energy: -108.674
bonds (distance) P-C4' energy: -112.643
flat angles C4'-P-C4' energy: -107.122
flat angles P-C4'-P energy: -88.582
tors. eta vs tors. theta energy: -152.241
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: 2, replica: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1808.645267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.645267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.645267 (E_RNA)
where:
Base-Base interactions energy: -1249.988
where: short stacking energy: -534.823
Base-Backbone interact. energy: -4.896
local terms energy: -553.761453
where:
bonds (distance) C4'-P energy: -107.568
bonds (distance) P-C4' energy: -108.327
flat angles C4'-P-C4' energy: -110.714
flat angles P-C4'-P energy: -74.814
tors. eta vs tors. theta energy: -152.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1675.643126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.643126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.643126 (E_RNA)
where:
Base-Base interactions energy: -1146.015
where: short stacking energy: -472.283
Base-Backbone interact. energy: -2.146
local terms energy: -527.482227
where:
bonds (distance) C4'-P energy: -93.397
bonds (distance) P-C4' energy: -114.598
flat angles C4'-P-C4' energy: -121.352
flat angles P-C4'-P energy: -71.737
tors. eta vs tors. theta energy: -126.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1641.702420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.702420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.702420 (E_RNA)
where:
Base-Base interactions energy: -1149.964
where: short stacking energy: -489.544
Base-Backbone interact. energy: 2.197
local terms energy: -493.935274
where:
bonds (distance) C4'-P energy: -85.425
bonds (distance) P-C4' energy: -101.837
flat angles C4'-P-C4' energy: -112.147
flat angles P-C4'-P energy: -65.873
tors. eta vs tors. theta energy: -128.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1526.148491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.148491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.148491 (E_RNA)
where:
Base-Base interactions energy: -1052.572
where: short stacking energy: -420.570
Base-Backbone interact. energy: -2.413
local terms energy: -471.163629
where:
bonds (distance) C4'-P energy: -86.674
bonds (distance) P-C4' energy: -100.967
flat angles C4'-P-C4' energy: -102.963
flat angles P-C4'-P energy: -73.396
tors. eta vs tors. theta energy: -107.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1454.095104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.095104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.095104 (E_RNA)
where:
Base-Base interactions energy: -1025.146
where: short stacking energy: -419.340
Base-Backbone interact. energy: -1.272
local terms energy: -427.676675
where:
bonds (distance) C4'-P energy: -81.341
bonds (distance) P-C4' energy: -79.884
flat angles C4'-P-C4' energy: -114.603
flat angles P-C4'-P energy: -60.909
tors. eta vs tors. theta energy: -90.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1229.580498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.580498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.580498 (E_RNA)
where:
Base-Base interactions energy: -833.404
where: short stacking energy: -359.986
Base-Backbone interact. energy: -0.015
local terms energy: -396.162011
where:
bonds (distance) C4'-P energy: -74.693
bonds (distance) P-C4' energy: -105.297
flat angles C4'-P-C4' energy: -88.775
flat angles P-C4'-P energy: -55.075
tors. eta vs tors. theta energy: -72.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1201.078483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.078483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.078483 (E_RNA)
where:
Base-Base interactions energy: -795.004
where: short stacking energy: -314.627
Base-Backbone interact. energy: -3.250
local terms energy: -402.824535
where:
bonds (distance) C4'-P energy: -85.997
bonds (distance) P-C4' energy: -98.852
flat angles C4'-P-C4' energy: -93.774
flat angles P-C4'-P energy: -52.573
tors. eta vs tors. theta energy: -71.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -664.186189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.186189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.186189 (E_RNA)
where:
Base-Base interactions energy: -344.305
where: short stacking energy: -197.944
Base-Backbone interact. energy: 4.662
local terms energy: -324.543181
where:
bonds (distance) C4'-P energy: -96.695
bonds (distance) P-C4' energy: -90.518
flat angles C4'-P-C4' energy: -76.569
flat angles P-C4'-P energy: -47.920
tors. eta vs tors. theta energy: -12.840
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: 455
Temperature: 1.350000
Total energy: -533.279933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.279933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.279933 (E_RNA)
where:
Base-Base interactions energy: -277.795
where: short stacking energy: -164.430
Base-Backbone interact. energy: 0.693
local terms energy: -256.178112
where:
bonds (distance) C4'-P energy: -79.250
bonds (distance) P-C4' energy: -86.101
flat angles C4'-P-C4' energy: -61.897
flat angles P-C4'-P energy: -33.895
tors. eta vs tors. theta energy: 4.965
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: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1927.478382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.478382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.478382 (E_RNA)
where:
Base-Base interactions energy: -1349.916
where: short stacking energy: -540.476
Base-Backbone interact. energy: 3.320
local terms energy: -580.883159
where:
bonds (distance) C4'-P energy: -108.491
bonds (distance) P-C4' energy: -115.181
flat angles C4'-P-C4' energy: -129.447
flat angles P-C4'-P energy: -72.221
tors. eta vs tors. theta energy: -155.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1838.190247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.190247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.190247 (E_RNA)
where:
Base-Base interactions energy: -1261.567
where: short stacking energy: -539.572
Base-Backbone interact. energy: -1.064
local terms energy: -575.559225
where:
bonds (distance) C4'-P energy: -99.052
bonds (distance) P-C4' energy: -111.188
flat angles C4'-P-C4' energy: -122.412
flat angles P-C4'-P energy: -83.004
tors. eta vs tors. theta energy: -159.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1707.125657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.125657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.125657 (E_RNA)
where:
Base-Base interactions energy: -1187.451
where: short stacking energy: -503.539
Base-Backbone interact. energy: -3.468
local terms energy: -516.206418
where:
bonds (distance) C4'-P energy: -99.249
bonds (distance) P-C4' energy: -96.162
flat angles C4'-P-C4' energy: -113.063
flat angles P-C4'-P energy: -70.577
tors. eta vs tors. theta energy: -137.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1641.278137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.278137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.278137 (E_RNA)
where:
Base-Base interactions energy: -1135.424
where: short stacking energy: -459.856
Base-Backbone interact. energy: -1.767
local terms energy: -504.087437
where:
bonds (distance) C4'-P energy: -92.972
bonds (distance) P-C4' energy: -100.823
flat angles C4'-P-C4' energy: -117.092
flat angles P-C4'-P energy: -76.714
tors. eta vs tors. theta energy: -116.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1513.602648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.602648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.602648 (E_RNA)
where:
Base-Base interactions energy: -1049.584
where: short stacking energy: -443.415
Base-Backbone interact. energy: -2.752
local terms energy: -461.266602
where:
bonds (distance) C4'-P energy: -89.690
bonds (distance) P-C4' energy: -82.177
flat angles C4'-P-C4' energy: -106.845
flat angles P-C4'-P energy: -75.137
tors. eta vs tors. theta energy: -107.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1445.853245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.853245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.853245 (E_RNA)
where:
Base-Base interactions energy: -996.854
where: short stacking energy: -394.661
Base-Backbone interact. energy: 0.362
local terms energy: -449.361037
where:
bonds (distance) C4'-P energy: -102.091
bonds (distance) P-C4' energy: -92.460
flat angles C4'-P-C4' energy: -95.916
flat angles P-C4'-P energy: -58.332
tors. eta vs tors. theta energy: -100.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1210.417598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.417598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.417598 (E_RNA)
where:
Base-Base interactions energy: -819.774
where: short stacking energy: -337.074
Base-Backbone interact. energy: -3.392
local terms energy: -387.251252
where:
bonds (distance) C4'-P energy: -77.266
bonds (distance) P-C4' energy: -99.743
flat angles C4'-P-C4' energy: -98.541
flat angles P-C4'-P energy: -48.091
tors. eta vs tors. theta energy: -63.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1149.110147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.110147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.110147 (E_RNA)
where:
Base-Base interactions energy: -753.851
where: short stacking energy: -336.000
Base-Backbone interact. energy: -2.694
local terms energy: -392.565390
where:
bonds (distance) C4'-P energy: -77.682
bonds (distance) P-C4' energy: -81.769
flat angles C4'-P-C4' energy: -85.418
flat angles P-C4'-P energy: -67.708
tors. eta vs tors. theta energy: -79.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -573.558172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.558172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.558172 (E_RNA)
where:
Base-Base interactions energy: -273.315
where: short stacking energy: -171.103
Base-Backbone interact. energy: 1.091
local terms energy: -301.334175
where:
bonds (distance) C4'-P energy: -74.969
bonds (distance) P-C4' energy: -94.013
flat angles C4'-P-C4' energy: -79.568
flat angles P-C4'-P energy: -43.923
tors. eta vs tors. theta energy: -8.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -636.014876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.014876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.014876 (E_RNA)
where:
Base-Base interactions energy: -340.920
where: short stacking energy: -178.762
Base-Backbone interact. energy: -2.557
local terms energy: -292.538093
where:
bonds (distance) C4'-P energy: -94.296
bonds (distance) P-C4' energy: -69.199
flat angles C4'-P-C4' energy: -81.797
flat angles P-C4'-P energy: -48.920
tors. eta vs tors. theta energy: 1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1895.675705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.675705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.675705 (E_RNA)
where:
Base-Base interactions energy: -1351.565
where: short stacking energy: -552.110
Base-Backbone interact. energy: -1.998
local terms energy: -542.112247
where:
bonds (distance) C4'-P energy: -102.692
bonds (distance) P-C4' energy: -95.310
flat angles C4'-P-C4' energy: -111.518
flat angles P-C4'-P energy: -76.322
tors. eta vs tors. theta energy: -156.270
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: 457
Temperature: 0.950000
Total energy: -1808.662887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.662887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.662887 (E_RNA)
where:
Base-Base interactions energy: -1276.141
where: short stacking energy: -538.398
Base-Backbone interact. energy: -3.701
local terms energy: -528.820920
where:
bonds (distance) C4'-P energy: -83.616
bonds (distance) P-C4' energy: -100.227
flat angles C4'-P-C4' energy: -116.840
flat angles P-C4'-P energy: -75.756
tors. eta vs tors. theta energy: -152.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1678.311982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.311982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.311982 (E_RNA)
where:
Base-Base interactions energy: -1167.057
where: short stacking energy: -492.748
Base-Backbone interact. energy: 1.101
local terms energy: -512.356289
where:
bonds (distance) C4'-P energy: -99.086
bonds (distance) P-C4' energy: -107.369
flat angles C4'-P-C4' energy: -113.379
flat angles P-C4'-P energy: -70.715
tors. eta vs tors. theta energy: -121.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1630.947357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.947357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.947357 (E_RNA)
where:
Base-Base interactions energy: -1158.190
where: short stacking energy: -452.644
Base-Backbone interact. energy: 1.015
local terms energy: -473.772437
where:
bonds (distance) C4'-P energy: -96.439
bonds (distance) P-C4' energy: -81.945
flat angles C4'-P-C4' energy: -116.146
flat angles P-C4'-P energy: -70.518
tors. eta vs tors. theta energy: -108.725
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: 6
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1567.036629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.036629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.036629 (E_RNA)
where:
Base-Base interactions energy: -1109.348
where: short stacking energy: -461.856
Base-Backbone interact. energy: -2.176
local terms energy: -455.512814
where:
bonds (distance) C4'-P energy: -79.946
bonds (distance) P-C4' energy: -92.900
flat angles C4'-P-C4' energy: -100.751
flat angles P-C4'-P energy: -61.465
tors. eta vs tors. theta energy: -120.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1495.802107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.802107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.802107 (E_RNA)
where:
Base-Base interactions energy: -1020.501
where: short stacking energy: -432.130
Base-Backbone interact. energy: 2.759
local terms energy: -478.060081
where:
bonds (distance) C4'-P energy: -107.607
bonds (distance) P-C4' energy: -90.458
flat angles C4'-P-C4' energy: -108.667
flat angles P-C4'-P energy: -64.918
tors. eta vs tors. theta energy: -106.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1219.895681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.895681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.895681 (E_RNA)
where:
Base-Base interactions energy: -813.647
where: short stacking energy: -354.513
Base-Backbone interact. energy: 1.301
local terms energy: -407.549425
where:
bonds (distance) C4'-P energy: -80.971
bonds (distance) P-C4' energy: -88.351
flat angles C4'-P-C4' energy: -97.317
flat angles P-C4'-P energy: -62.727
tors. eta vs tors. theta energy: -78.184
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: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1201.818869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.818869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.818869 (E_RNA)
where:
Base-Base interactions energy: -812.847
where: short stacking energy: -353.977
Base-Backbone interact. energy: -0.371
local terms energy: -388.601024
where:
bonds (distance) C4'-P energy: -85.616
bonds (distance) P-C4' energy: -83.222
flat angles C4'-P-C4' energy: -90.575
flat angles P-C4'-P energy: -64.934
tors. eta vs tors. theta energy: -64.254
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: 10
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -606.398801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.398801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.398801 (E_RNA)
where:
Base-Base interactions energy: -311.616
where: short stacking energy: -179.232
Base-Backbone interact. energy: 3.527
local terms energy: -298.310540
where:
bonds (distance) C4'-P energy: -82.344
bonds (distance) P-C4' energy: -99.711
flat angles C4'-P-C4' energy: -78.813
flat angles P-C4'-P energy: -29.985
tors. eta vs tors. theta energy: -7.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -668.504699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.504699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.504699 (E_RNA)
where:
Base-Base interactions energy: -367.378
where: short stacking energy: -178.851
Base-Backbone interact. energy: -1.039
local terms energy: -300.087282
where:
bonds (distance) C4'-P energy: -71.162
bonds (distance) P-C4' energy: -97.066
flat angles C4'-P-C4' energy: -74.126
flat angles P-C4'-P energy: -49.506
tors. eta vs tors. theta energy: -8.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1881.097450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.097450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.097450 (E_RNA)
where:
Base-Base interactions energy: -1330.225
where: short stacking energy: -528.177
Base-Backbone interact. energy: 2.933
local terms energy: -553.805790
where:
bonds (distance) C4'-P energy: -100.749
bonds (distance) P-C4' energy: -113.487
flat angles C4'-P-C4' energy: -121.918
flat angles P-C4'-P energy: -70.599
tors. eta vs tors. theta energy: -147.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1777.314460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.314460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.314460 (E_RNA)
where:
Base-Base interactions energy: -1254.090
where: short stacking energy: -514.242
Base-Backbone interact. energy: -2.806
local terms energy: -520.419040
where:
bonds (distance) C4'-P energy: -89.897
bonds (distance) P-C4' energy: -96.700
flat angles C4'-P-C4' energy: -110.163
flat angles P-C4'-P energy: -70.048
tors. eta vs tors. theta energy: -153.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1702.778980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.778980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.778980 (E_RNA)
where:
Base-Base interactions energy: -1205.889
where: short stacking energy: -509.197
Base-Backbone interact. energy: -0.809
local terms energy: -496.080829
where:
bonds (distance) C4'-P energy: -100.698
bonds (distance) P-C4' energy: -99.953
flat angles C4'-P-C4' energy: -104.461
flat angles P-C4'-P energy: -69.521
tors. eta vs tors. theta energy: -121.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1651.791037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.791037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.791037 (E_RNA)
where:
Base-Base interactions energy: -1171.019
where: short stacking energy: -467.421
Base-Backbone interact. energy: -1.713
local terms energy: -479.059432
where:
bonds (distance) C4'-P energy: -91.388
bonds (distance) P-C4' energy: -94.140
flat angles C4'-P-C4' energy: -111.220
flat angles P-C4'-P energy: -73.248
tors. eta vs tors. theta energy: -109.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1588.893497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.893497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.893497 (E_RNA)
where:
Base-Base interactions energy: -1119.724
where: short stacking energy: -462.442
Base-Backbone interact. energy: -5.388
local terms energy: -463.781901
where:
bonds (distance) C4'-P energy: -77.834
bonds (distance) P-C4' energy: -97.205
flat angles C4'-P-C4' energy: -104.054
flat angles P-C4'-P energy: -66.350
tors. eta vs tors. theta energy: -118.339
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: 4
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1485.758700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.758700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.758700 (E_RNA)
where:
Base-Base interactions energy: -1036.775
where: short stacking energy: -414.155
Base-Backbone interact. energy: -4.039
local terms energy: -444.944993
where:
bonds (distance) C4'-P energy: -77.545
bonds (distance) P-C4' energy: -90.334
flat angles C4'-P-C4' energy: -105.897
flat angles P-C4'-P energy: -66.160
tors. eta vs tors. theta energy: -105.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1224.166594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.166594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.166594 (E_RNA)
where:
Base-Base interactions energy: -828.446
where: short stacking energy: -362.362
Base-Backbone interact. energy: -2.127
local terms energy: -393.594252
where:
bonds (distance) C4'-P energy: -74.090
bonds (distance) P-C4' energy: -83.704
flat angles C4'-P-C4' energy: -104.487
flat angles P-C4'-P energy: -53.254
tors. eta vs tors. theta energy: -78.059
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: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1180.982253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.982253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.982253 (E_RNA)
where:
Base-Base interactions energy: -790.065
where: short stacking energy: -322.422
Base-Backbone interact. energy: -2.432
local terms energy: -388.484844
where:
bonds (distance) C4'-P energy: -70.076
bonds (distance) P-C4' energy: -86.857
flat angles C4'-P-C4' energy: -92.785
flat angles P-C4'-P energy: -67.309
tors. eta vs tors. theta energy: -71.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -701.288459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.288459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.288459 (E_RNA)
where:
Base-Base interactions energy: -387.649
where: short stacking energy: -195.743
Base-Backbone interact. energy: -1.668
local terms energy: -311.970657
where:
bonds (distance) C4'-P energy: -67.967
bonds (distance) P-C4' energy: -91.090
flat angles C4'-P-C4' energy: -79.338
flat angles P-C4'-P energy: -57.873
tors. eta vs tors. theta energy: -15.703
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: 458
Temperature: 1.350000
Total energy: -513.502442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.502442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.502442 (E_RNA)
where:
Base-Base interactions energy: -244.837
where: short stacking energy: -133.800
Base-Backbone interact. energy: -1.767
local terms energy: -266.898948
where:
bonds (distance) C4'-P energy: -78.713
bonds (distance) P-C4' energy: -96.721
flat angles C4'-P-C4' energy: -61.916
flat angles P-C4'-P energy: -45.588
tors. eta vs tors. theta energy: 16.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1881.766896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.766896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.766896 (E_RNA)
where:
Base-Base interactions energy: -1345.337
where: short stacking energy: -548.206
Base-Backbone interact. energy: -0.579
local terms energy: -535.850878
where:
bonds (distance) C4'-P energy: -91.990
bonds (distance) P-C4' energy: -101.619
flat angles C4'-P-C4' energy: -120.898
flat angles P-C4'-P energy: -65.534
tors. eta vs tors. theta energy: -155.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1769.242986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.242986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.242986 (E_RNA)
where:
Base-Base interactions energy: -1219.489
where: short stacking energy: -516.631
Base-Backbone interact. energy: -3.322
local terms energy: -546.431793
where:
bonds (distance) C4'-P energy: -94.853
bonds (distance) P-C4' energy: -106.142
flat angles C4'-P-C4' energy: -112.847
flat angles P-C4'-P energy: -85.306
tors. eta vs tors. theta energy: -147.283
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: 459
Temperature: 1.000000
Total energy: -1729.005574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.005574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.005574 (E_RNA)
where:
Base-Base interactions energy: -1226.590
where: short stacking energy: -533.306
Base-Backbone interact. energy: -2.622
local terms energy: -499.793659
where:
bonds (distance) C4'-P energy: -88.077
bonds (distance) P-C4' energy: -97.147
flat angles C4'-P-C4' energy: -114.611
flat angles P-C4'-P energy: -66.840
tors. eta vs tors. theta energy: -133.119
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: 5
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1666.206326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.206326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.206326 (E_RNA)
where:
Base-Base interactions energy: -1181.163
where: short stacking energy: -470.082
Base-Backbone interact. energy: -2.668
local terms energy: -482.374858
where:
bonds (distance) C4'-P energy: -87.042
bonds (distance) P-C4' energy: -96.054
flat angles C4'-P-C4' energy: -102.609
flat angles P-C4'-P energy: -74.318
tors. eta vs tors. theta energy: -122.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1562.605820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.605820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.605820 (E_RNA)
where:
Base-Base interactions energy: -1071.018
where: short stacking energy: -452.972
Base-Backbone interact. energy: -3.104
local terms energy: -488.483234
where:
bonds (distance) C4'-P energy: -93.003
bonds (distance) P-C4' energy: -85.122
flat angles C4'-P-C4' energy: -111.237
flat angles P-C4'-P energy: -69.312
tors. eta vs tors. theta energy: -129.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1447.742788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.742788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.742788 (E_RNA)
where:
Base-Base interactions energy: -1018.864
where: short stacking energy: -416.197
Base-Backbone interact. energy: 3.826
local terms energy: -432.705023
where:
bonds (distance) C4'-P energy: -83.426
bonds (distance) P-C4' energy: -87.326
flat angles C4'-P-C4' energy: -99.676
flat angles P-C4'-P energy: -67.274
tors. eta vs tors. theta energy: -95.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1231.541625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.541625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.541625 (E_RNA)
where:
Base-Base interactions energy: -816.102
where: short stacking energy: -365.178
Base-Backbone interact. energy: -3.468
local terms energy: -411.971508
where:
bonds (distance) C4'-P energy: -99.632
bonds (distance) P-C4' energy: -83.967
flat angles C4'-P-C4' energy: -95.812
flat angles P-C4'-P energy: -55.593
tors. eta vs tors. theta energy: -76.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1176.067577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.067577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.067577 (E_RNA)
where:
Base-Base interactions energy: -787.454
where: short stacking energy: -355.137
Base-Backbone interact. energy: 7.531
local terms energy: -396.144393
where:
bonds (distance) C4'-P energy: -69.797
bonds (distance) P-C4' energy: -101.031
flat angles C4'-P-C4' energy: -81.097
flat angles P-C4'-P energy: -59.652
tors. eta vs tors. theta energy: -84.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -664.352281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.352281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.352281 (E_RNA)
where:
Base-Base interactions energy: -355.198
where: short stacking energy: -184.852
Base-Backbone interact. energy: -1.886
local terms energy: -307.267970
where:
bonds (distance) C4'-P energy: -82.111
bonds (distance) P-C4' energy: -96.968
flat angles C4'-P-C4' energy: -81.000
flat angles P-C4'-P energy: -53.816
tors. eta vs tors. theta energy: 6.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -579.418812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.418812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.418812 (E_RNA)
where:
Base-Base interactions energy: -287.686
where: short stacking energy: -166.500
Base-Backbone interact. energy: -0.718
local terms energy: -291.014622
where:
bonds (distance) C4'-P energy: -100.761
bonds (distance) P-C4' energy: -80.504
flat angles C4'-P-C4' energy: -84.191
flat angles P-C4'-P energy: -36.621
tors. eta vs tors. theta energy: 11.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1890.860773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.860773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.860773 (E_RNA)
where:
Base-Base interactions energy: -1343.471
where: short stacking energy: -548.723
Base-Backbone interact. energy: -2.667
local terms energy: -544.722581
where:
bonds (distance) C4'-P energy: -93.864
bonds (distance) P-C4' energy: -101.916
flat angles C4'-P-C4' energy: -122.797
flat angles P-C4'-P energy: -72.051
tors. eta vs tors. theta energy: -154.095
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: 460
Temperature: 0.950000
Total energy: -1771.567240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.567240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.567240 (E_RNA)
where:
Base-Base interactions energy: -1228.784
where: short stacking energy: -528.961
Base-Backbone interact. energy: -1.099
local terms energy: -541.684327
where:
bonds (distance) C4'-P energy: -100.428
bonds (distance) P-C4' energy: -104.545
flat angles C4'-P-C4' energy: -108.112
flat angles P-C4'-P energy: -82.297
tors. eta vs tors. theta energy: -146.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1740.959879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.959879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.959879 (E_RNA)
where:
Base-Base interactions energy: -1209.575
where: short stacking energy: -505.228
Base-Backbone interact. energy: -0.696
local terms energy: -530.688914
where:
bonds (distance) C4'-P energy: -95.699
bonds (distance) P-C4' energy: -107.862
flat angles C4'-P-C4' energy: -109.294
flat angles P-C4'-P energy: -74.858
tors. eta vs tors. theta energy: -142.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1648.529469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.529469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.529469 (E_RNA)
where:
Base-Base interactions energy: -1144.927
where: short stacking energy: -468.257
Base-Backbone interact. energy: 0.012
local terms energy: -503.614569
where:
bonds (distance) C4'-P energy: -91.480
bonds (distance) P-C4' energy: -98.215
flat angles C4'-P-C4' energy: -121.201
flat angles P-C4'-P energy: -73.808
tors. eta vs tors. theta energy: -118.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1484.982298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.982298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.982298 (E_RNA)
where:
Base-Base interactions energy: -1035.993
where: short stacking energy: -426.132
Base-Backbone interact. energy: 1.211
local terms energy: -450.200038
where:
bonds (distance) C4'-P energy: -97.152
bonds (distance) P-C4' energy: -91.930
flat angles C4'-P-C4' energy: -91.623
flat angles P-C4'-P energy: -68.658
tors. eta vs tors. theta energy: -100.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1482.926498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.926498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.926498 (E_RNA)
where:
Base-Base interactions energy: -1030.604
where: short stacking energy: -429.929
Base-Backbone interact. energy: -2.001
local terms energy: -450.321637
where:
bonds (distance) C4'-P energy: -86.375
bonds (distance) P-C4' energy: -99.614
flat angles C4'-P-C4' energy: -103.138
flat angles P-C4'-P energy: -52.224
tors. eta vs tors. theta energy: -108.970
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: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1283.552725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.552725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.552725 (E_RNA)
where:
Base-Base interactions energy: -874.790
where: short stacking energy: -360.073
Base-Backbone interact. energy: -2.177
local terms energy: -406.585718
where:
bonds (distance) C4'-P energy: -91.968
bonds (distance) P-C4' energy: -99.587
flat angles C4'-P-C4' energy: -89.668
flat angles P-C4'-P energy: -44.057
tors. eta vs tors. theta energy: -81.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1174.098862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.098862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.098862 (E_RNA)
where:
Base-Base interactions energy: -768.484
where: short stacking energy: -337.562
Base-Backbone interact. energy: -2.001
local terms energy: -403.613987
where:
bonds (distance) C4'-P energy: -81.506
bonds (distance) P-C4' energy: -82.643
flat angles C4'-P-C4' energy: -97.242
flat angles P-C4'-P energy: -60.605
tors. eta vs tors. theta energy: -81.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -755.716616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.716616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.716616 (E_RNA)
where:
Base-Base interactions energy: -439.407
where: short stacking energy: -213.513
Base-Backbone interact. energy: 0.414
local terms energy: -316.723511
where:
bonds (distance) C4'-P energy: -83.849
bonds (distance) P-C4' energy: -81.394
flat angles C4'-P-C4' energy: -85.589
flat angles P-C4'-P energy: -59.311
tors. eta vs tors. theta energy: -6.581
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: 460
Temperature: 1.350000
Total energy: -606.812232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.812232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.812232 (E_RNA)
where:
Base-Base interactions energy: -316.595
where: short stacking energy: -159.803
Base-Backbone interact. energy: -1.459
local terms energy: -288.758450
where:
bonds (distance) C4'-P energy: -72.245
bonds (distance) P-C4' energy: -91.349
flat angles C4'-P-C4' energy: -63.953
flat angles P-C4'-P energy: -53.490
tors. eta vs tors. theta energy: -7.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1862.238024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.238024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.238024 (E_RNA)
where:
Base-Base interactions energy: -1314.726
where: short stacking energy: -506.929
Base-Backbone interact. energy: -4.860
local terms energy: -542.651537
where:
bonds (distance) C4'-P energy: -101.835
bonds (distance) P-C4' energy: -97.086
flat angles C4'-P-C4' energy: -125.409
flat angles P-C4'-P energy: -83.756
tors. eta vs tors. theta energy: -134.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1783.588921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.588921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.588921 (E_RNA)
where:
Base-Base interactions energy: -1235.916
where: short stacking energy: -535.048
Base-Backbone interact. energy: -2.582
local terms energy: -545.090884
where:
bonds (distance) C4'-P energy: -106.776
bonds (distance) P-C4' energy: -100.370
flat angles C4'-P-C4' energy: -113.573
flat angles P-C4'-P energy: -72.347
tors. eta vs tors. theta energy: -152.024
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: 3
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1695.806733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.806733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.806733 (E_RNA)
where:
Base-Base interactions energy: -1151.464
where: short stacking energy: -484.752
Base-Backbone interact. energy: -2.568
local terms energy: -541.774836
where:
bonds (distance) C4'-P energy: -105.512
bonds (distance) P-C4' energy: -108.358
flat angles C4'-P-C4' energy: -110.685
flat angles P-C4'-P energy: -74.723
tors. eta vs tors. theta energy: -142.497
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: 5
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1623.378729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.378729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.378729 (E_RNA)
where:
Base-Base interactions energy: -1137.030
where: short stacking energy: -464.219
Base-Backbone interact. energy: 0.268
local terms energy: -486.616210
where:
bonds (distance) C4'-P energy: -90.718
bonds (distance) P-C4' energy: -94.809
flat angles C4'-P-C4' energy: -111.123
flat angles P-C4'-P energy: -67.708
tors. eta vs tors. theta energy: -122.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1535.969481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.969481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.969481 (E_RNA)
where:
Base-Base interactions energy: -1076.339
where: short stacking energy: -439.074
Base-Backbone interact. energy: -3.052
local terms energy: -456.578394
where:
bonds (distance) C4'-P energy: -88.669
bonds (distance) P-C4' energy: -86.814
flat angles C4'-P-C4' energy: -108.085
flat angles P-C4'-P energy: -66.240
tors. eta vs tors. theta energy: -106.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1515.304256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.304256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.304256 (E_RNA)
where:
Base-Base interactions energy: -1040.798
where: short stacking energy: -449.190
Base-Backbone interact. energy: 0.165
local terms energy: -474.671721
where:
bonds (distance) C4'-P energy: -81.151
bonds (distance) P-C4' energy: -97.207
flat angles C4'-P-C4' energy: -106.479
flat angles P-C4'-P energy: -75.024
tors. eta vs tors. theta energy: -114.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1304.288011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.288011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.288011 (E_RNA)
where:
Base-Base interactions energy: -870.623
where: short stacking energy: -350.225
Base-Backbone interact. energy: -2.888
local terms energy: -430.776767
where:
bonds (distance) C4'-P energy: -93.298
bonds (distance) P-C4' energy: -89.941
flat angles C4'-P-C4' energy: -95.375
flat angles P-C4'-P energy: -70.897
tors. eta vs tors. theta energy: -81.266
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: 7
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1167.671207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.671207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.671207 (E_RNA)
where:
Base-Base interactions energy: -770.304
where: short stacking energy: -331.852
Base-Backbone interact. energy: -2.992
local terms energy: -394.375033
where:
bonds (distance) C4'-P energy: -71.404
bonds (distance) P-C4' energy: -102.269
flat angles C4'-P-C4' energy: -88.024
flat angles P-C4'-P energy: -68.065
tors. eta vs tors. theta energy: -64.614
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: 9, replica: 9
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -729.583573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.583573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.583573 (E_RNA)
where:
Base-Base interactions energy: -424.227
where: short stacking energy: -229.823
Base-Backbone interact. energy: -1.078
local terms energy: -304.278479
where:
bonds (distance) C4'-P energy: -72.499
bonds (distance) P-C4' energy: -90.813
flat angles C4'-P-C4' energy: -71.883
flat angles P-C4'-P energy: -42.627
tors. eta vs tors. theta energy: -26.457
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: 461
Temperature: 1.350000
Total energy: -654.362261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.362261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.362261 (E_RNA)
where:
Base-Base interactions energy: -360.320
where: short stacking energy: -186.734
Base-Backbone interact. energy: 6.846
local terms energy: -300.887816
where:
bonds (distance) C4'-P energy: -83.845
bonds (distance) P-C4' energy: -94.864
flat angles C4'-P-C4' energy: -63.776
flat angles P-C4'-P energy: -47.138
tors. eta vs tors. theta energy: -11.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1886.109312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.109312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.109312 (E_RNA)
where:
Base-Base interactions energy: -1335.197
where: short stacking energy: -548.701
Base-Backbone interact. energy: -2.404
local terms energy: -548.508000
where:
bonds (distance) C4'-P energy: -105.988
bonds (distance) P-C4' energy: -102.247
flat angles C4'-P-C4' energy: -114.090
flat angles P-C4'-P energy: -77.282
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: 2, replica: 1
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1773.966940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.966940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.966940 (E_RNA)
where:
Base-Base interactions energy: -1228.198
where: short stacking energy: -513.191
Base-Backbone interact. energy: 0.107
local terms energy: -545.876151
where:
bonds (distance) C4'-P energy: -99.958
bonds (distance) P-C4' energy: -104.437
flat angles C4'-P-C4' energy: -109.673
flat angles P-C4'-P energy: -84.868
tors. eta vs tors. theta energy: -146.940
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: 462
Temperature: 1.000000
Total energy: -1707.982704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.982704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.982704 (E_RNA)
where:
Base-Base interactions energy: -1147.484
where: short stacking energy: -481.111
Base-Backbone interact. energy: -3.473
local terms energy: -557.025948
where:
bonds (distance) C4'-P energy: -108.587
bonds (distance) P-C4' energy: -107.256
flat angles C4'-P-C4' energy: -117.060
flat angles P-C4'-P energy: -84.373
tors. eta vs tors. theta energy: -139.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1676.380040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.380040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.380040 (E_RNA)
where:
Base-Base interactions energy: -1181.019
where: short stacking energy: -492.087
Base-Backbone interact. energy: 2.254
local terms energy: -497.614846
where:
bonds (distance) C4'-P energy: -88.356
bonds (distance) P-C4' energy: -102.062
flat angles C4'-P-C4' energy: -109.567
flat angles P-C4'-P energy: -73.884
tors. eta vs tors. theta energy: -123.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1608.243189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.243189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.243189 (E_RNA)
where:
Base-Base interactions energy: -1113.812
where: short stacking energy: -464.394
Base-Backbone interact. energy: -1.335
local terms energy: -493.096541
where:
bonds (distance) C4'-P energy: -85.290
bonds (distance) P-C4' energy: -101.656
flat angles C4'-P-C4' energy: -103.499
flat angles P-C4'-P energy: -77.037
tors. eta vs tors. theta energy: -125.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1463.847195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.847195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.847195 (E_RNA)
where:
Base-Base interactions energy: -995.035
where: short stacking energy: -420.198
Base-Backbone interact. energy: -2.794
local terms energy: -466.018027
where:
bonds (distance) C4'-P energy: -81.483
bonds (distance) P-C4' energy: -92.269
flat angles C4'-P-C4' energy: -113.483
flat angles P-C4'-P energy: -66.897
tors. eta vs tors. theta energy: -111.886
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: 462
Temperature: 1.200000
Total energy: -1228.241048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.241048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.241048 (E_RNA)
where:
Base-Base interactions energy: -832.327
where: short stacking energy: -376.763
Base-Backbone interact. energy: -0.363
local terms energy: -395.551415
where:
bonds (distance) C4'-P energy: -92.804
bonds (distance) P-C4' energy: -89.404
flat angles C4'-P-C4' energy: -83.279
flat angles P-C4'-P energy: -59.358
tors. eta vs tors. theta energy: -70.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1250.535247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.535247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.535247 (E_RNA)
where:
Base-Base interactions energy: -872.078
where: short stacking energy: -387.352
Base-Backbone interact. energy: -2.972
local terms energy: -375.484422
where:
bonds (distance) C4'-P energy: -64.705
bonds (distance) P-C4' energy: -82.852
flat angles C4'-P-C4' energy: -82.190
flat angles P-C4'-P energy: -51.040
tors. eta vs tors. theta energy: -94.696
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: 9
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -776.250197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.250197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.250197 (E_RNA)
where:
Base-Base interactions energy: -465.692
where: short stacking energy: -220.178
Base-Backbone interact. energy: 4.133
local terms energy: -314.691558
where:
bonds (distance) C4'-P energy: -77.329
bonds (distance) P-C4' energy: -79.660
flat angles C4'-P-C4' energy: -86.619
flat angles P-C4'-P energy: -56.562
tors. eta vs tors. theta energy: -14.521
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: 462
Temperature: 1.350000
Total energy: -549.045630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.045630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.045630 (E_RNA)
where:
Base-Base interactions energy: -276.683
where: short stacking energy: -162.399
Base-Backbone interact. energy: -1.603
local terms energy: -270.759720
where:
bonds (distance) C4'-P energy: -66.131
bonds (distance) P-C4' energy: -100.727
flat angles C4'-P-C4' energy: -72.320
flat angles P-C4'-P energy: -43.374
tors. eta vs tors. theta energy: 11.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1876.025915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.025915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.025915 (E_RNA)
where:
Base-Base interactions energy: -1330.183
where: short stacking energy: -525.078
Base-Backbone interact. energy: -0.035
local terms energy: -545.808073
where:
bonds (distance) C4'-P energy: -85.397
bonds (distance) P-C4' energy: -110.932
flat angles C4'-P-C4' energy: -119.802
flat angles P-C4'-P energy: -78.183
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: 2, replica: 1
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1747.742909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.742909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.742909 (E_RNA)
where:
Base-Base interactions energy: -1203.428
where: short stacking energy: -493.180
Base-Backbone interact. energy: -4.313
local terms energy: -540.001112
where:
bonds (distance) C4'-P energy: -102.913
bonds (distance) P-C4' energy: -106.414
flat angles C4'-P-C4' energy: -113.198
flat angles P-C4'-P energy: -77.962
tors. eta vs tors. theta energy: -139.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1716.581718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.581718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.581718 (E_RNA)
where:
Base-Base interactions energy: -1175.506
where: short stacking energy: -485.871
Base-Backbone interact. energy: -2.472
local terms energy: -538.603155
where:
bonds (distance) C4'-P energy: -100.542
bonds (distance) P-C4' energy: -107.395
flat angles C4'-P-C4' energy: -110.684
flat angles P-C4'-P energy: -77.745
tors. eta vs tors. theta energy: -142.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1620.242846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.242846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.242846 (E_RNA)
where:
Base-Base interactions energy: -1098.295
where: short stacking energy: -450.282
Base-Backbone interact. energy: -2.299
local terms energy: -519.648892
where:
bonds (distance) C4'-P energy: -96.682
bonds (distance) P-C4' energy: -106.315
flat angles C4'-P-C4' energy: -110.096
flat angles P-C4'-P energy: -81.248
tors. eta vs tors. theta energy: -125.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1570.436835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.436835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.436835 (E_RNA)
where:
Base-Base interactions energy: -1084.265
where: short stacking energy: -446.872
Base-Backbone interact. energy: -2.854
local terms energy: -483.318413
where:
bonds (distance) C4'-P energy: -98.622
bonds (distance) P-C4' energy: -99.497
flat angles C4'-P-C4' energy: -106.527
flat angles P-C4'-P energy: -56.756
tors. eta vs tors. theta energy: -121.917
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: 6, replica: 6
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1483.586891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.586891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.586891 (E_RNA)
where:
Base-Base interactions energy: -1026.350
where: short stacking energy: -437.840
Base-Backbone interact. energy: -2.110
local terms energy: -455.126738
where:
bonds (distance) C4'-P energy: -92.087
bonds (distance) P-C4' energy: -87.068
flat angles C4'-P-C4' energy: -96.185
flat angles P-C4'-P energy: -66.887
tors. eta vs tors. theta energy: -112.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1266.183121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.183121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.183121 (E_RNA)
where:
Base-Base interactions energy: -853.949
where: short stacking energy: -380.520
Base-Backbone interact. energy: -2.248
local terms energy: -409.986854
where:
bonds (distance) C4'-P energy: -81.171
bonds (distance) P-C4' energy: -90.904
flat angles C4'-P-C4' energy: -99.674
flat angles P-C4'-P energy: -42.651
tors. eta vs tors. theta energy: -95.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1244.551561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.551561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.551561 (E_RNA)
where:
Base-Base interactions energy: -834.064
where: short stacking energy: -392.916
Base-Backbone interact. energy: -2.358
local terms energy: -408.128669
where:
bonds (distance) C4'-P energy: -71.966
bonds (distance) P-C4' energy: -93.527
flat angles C4'-P-C4' energy: -101.405
flat angles P-C4'-P energy: -60.372
tors. eta vs tors. theta energy: -80.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -773.677004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.677004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.677004 (E_RNA)
where:
Base-Base interactions energy: -448.861
where: short stacking energy: -207.251
Base-Backbone interact. energy: 3.355
local terms energy: -328.171223
where:
bonds (distance) C4'-P energy: -85.407
bonds (distance) P-C4' energy: -94.740
flat angles C4'-P-C4' energy: -81.667
flat angles P-C4'-P energy: -58.341
tors. eta vs tors. theta energy: -8.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -577.774138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.774138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.774138 (E_RNA)
where:
Base-Base interactions energy: -289.093
where: short stacking energy: -165.713
Base-Backbone interact. energy: -1.455
local terms energy: -287.225991
where:
bonds (distance) C4'-P energy: -62.605
bonds (distance) P-C4' energy: -82.996
flat angles C4'-P-C4' energy: -86.243
flat angles P-C4'-P energy: -52.545
tors. eta vs tors. theta energy: -2.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1868.128148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.128148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.128148 (E_RNA)
where:
Base-Base interactions energy: -1300.779
where: short stacking energy: -516.114
Base-Backbone interact. energy: -3.280
local terms energy: -564.068853
where:
bonds (distance) C4'-P energy: -108.174
bonds (distance) P-C4' energy: -108.081
flat angles C4'-P-C4' energy: -117.089
flat angles P-C4'-P energy: -82.012
tors. eta vs tors. theta energy: -148.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1738.958799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.958799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.958799 (E_RNA)
where:
Base-Base interactions energy: -1214.295
where: short stacking energy: -485.834
Base-Backbone interact. energy: -2.802
local terms energy: -521.861608
where:
bonds (distance) C4'-P energy: -97.944
bonds (distance) P-C4' energy: -100.260
flat angles C4'-P-C4' energy: -115.102
flat angles P-C4'-P energy: -74.692
tors. eta vs tors. theta energy: -133.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1713.923748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.923748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.923748 (E_RNA)
where:
Base-Base interactions energy: -1186.546
where: short stacking energy: -497.996
Base-Backbone interact. energy: -0.578
local terms energy: -526.800316
where:
bonds (distance) C4'-P energy: -95.029
bonds (distance) P-C4' energy: -101.373
flat angles C4'-P-C4' energy: -107.315
flat angles P-C4'-P energy: -78.178
tors. eta vs tors. theta energy: -144.905
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: 5
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1623.373987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.373987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.373987 (E_RNA)
where:
Base-Base interactions energy: -1117.618
where: short stacking energy: -481.102
Base-Backbone interact. energy: -0.146
local terms energy: -505.610392
where:
bonds (distance) C4'-P energy: -100.777
bonds (distance) P-C4' energy: -101.995
flat angles C4'-P-C4' energy: -113.158
flat angles P-C4'-P energy: -57.443
tors. eta vs tors. theta energy: -132.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1572.386448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.386448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.386448 (E_RNA)
where:
Base-Base interactions energy: -1079.933
where: short stacking energy: -467.023
Base-Backbone interact. energy: 9.061
local terms energy: -501.514823
where:
bonds (distance) C4'-P energy: -89.475
bonds (distance) P-C4' energy: -97.808
flat angles C4'-P-C4' energy: -108.273
flat angles P-C4'-P energy: -74.767
tors. eta vs tors. theta energy: -131.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1468.459949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.459949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.459949 (E_RNA)
where:
Base-Base interactions energy: -1032.722
where: short stacking energy: -429.443
Base-Backbone interact. energy: -3.124
local terms energy: -432.614153
where:
bonds (distance) C4'-P energy: -88.894
bonds (distance) P-C4' energy: -80.955
flat angles C4'-P-C4' energy: -104.561
flat angles P-C4'-P energy: -65.745
tors. eta vs tors. theta energy: -92.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1303.753147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.753147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.753147 (E_RNA)
where:
Base-Base interactions energy: -869.357
where: short stacking energy: -389.090
Base-Backbone interact. energy: 6.202
local terms energy: -440.598596
where:
bonds (distance) C4'-P energy: -92.807
bonds (distance) P-C4' energy: -70.000
flat angles C4'-P-C4' energy: -109.851
flat angles P-C4'-P energy: -70.207
tors. eta vs tors. theta energy: -97.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1164.382133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.382133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.382133 (E_RNA)
where:
Base-Base interactions energy: -762.914
where: short stacking energy: -330.716
Base-Backbone interact. energy: -2.074
local terms energy: -399.394618
where:
bonds (distance) C4'-P energy: -74.083
bonds (distance) P-C4' energy: -98.741
flat angles C4'-P-C4' energy: -93.810
flat angles P-C4'-P energy: -64.184
tors. eta vs tors. theta energy: -68.577
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: 9
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -779.745681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.745681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.745681 (E_RNA)
where:
Base-Base interactions energy: -437.205
where: short stacking energy: -212.279
Base-Backbone interact. energy: -0.994
local terms energy: -341.546468
where:
bonds (distance) C4'-P energy: -93.371
bonds (distance) P-C4' energy: -88.763
flat angles C4'-P-C4' energy: -82.730
flat angles P-C4'-P energy: -53.556
tors. eta vs tors. theta energy: -23.127
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: 10, replica: 10
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -529.201774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.201774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.201774 (E_RNA)
where:
Base-Base interactions energy: -259.258
where: short stacking energy: -137.390
Base-Backbone interact. energy: -3.099
local terms energy: -266.844602
where:
bonds (distance) C4'-P energy: -86.937
bonds (distance) P-C4' energy: -90.969
flat angles C4'-P-C4' energy: -65.160
flat angles P-C4'-P energy: -43.220
tors. eta vs tors. theta energy: 19.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1880.160736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.160736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.160736 (E_RNA)
where:
Base-Base interactions energy: -1327.771
where: short stacking energy: -533.032
Base-Backbone interact. energy: -4.197
local terms energy: -548.192455
where:
bonds (distance) C4'-P energy: -108.953
bonds (distance) P-C4' energy: -105.552
flat angles C4'-P-C4' energy: -106.691
flat angles P-C4'-P energy: -79.158
tors. eta vs tors. theta energy: -147.838
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: 465
Temperature: 0.950000
Total energy: -1752.782060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.782060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.782060 (E_RNA)
where:
Base-Base interactions energy: -1206.105
where: short stacking energy: -501.898
Base-Backbone interact. energy: -0.124
local terms energy: -546.552769
where:
bonds (distance) C4'-P energy: -104.818
bonds (distance) P-C4' energy: -108.432
flat angles C4'-P-C4' energy: -117.020
flat angles P-C4'-P energy: -80.942
tors. eta vs tors. theta energy: -135.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1731.409980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.409980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.409980 (E_RNA)
where:
Base-Base interactions energy: -1182.097
where: short stacking energy: -499.892
Base-Backbone interact. energy: -2.054
local terms energy: -547.259504
where:
bonds (distance) C4'-P energy: -97.758
bonds (distance) P-C4' energy: -107.325
flat angles C4'-P-C4' energy: -110.669
flat angles P-C4'-P energy: -81.655
tors. eta vs tors. theta energy: -149.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1646.343322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.343322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.343322 (E_RNA)
where:
Base-Base interactions energy: -1133.884
where: short stacking energy: -483.845
Base-Backbone interact. energy: 3.855
local terms energy: -516.314703
where:
bonds (distance) C4'-P energy: -98.245
bonds (distance) P-C4' energy: -104.931
flat angles C4'-P-C4' energy: -112.038
flat angles P-C4'-P energy: -68.354
tors. eta vs tors. theta energy: -132.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1576.214549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.214549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.214549 (E_RNA)
where:
Base-Base interactions energy: -1096.290
where: short stacking energy: -477.408
Base-Backbone interact. energy: -1.162
local terms energy: -478.762525
where:
bonds (distance) C4'-P energy: -94.371
bonds (distance) P-C4' energy: -97.716
flat angles C4'-P-C4' energy: -100.303
flat angles P-C4'-P energy: -68.942
tors. eta vs tors. theta energy: -117.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1453.733395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.733395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.733395 (E_RNA)
where:
Base-Base interactions energy: -983.776
where: short stacking energy: -411.951
Base-Backbone interact. energy: 1.079
local terms energy: -471.036114
where:
bonds (distance) C4'-P energy: -97.886
bonds (distance) P-C4' energy: -99.125
flat angles C4'-P-C4' energy: -111.638
flat angles P-C4'-P energy: -64.143
tors. eta vs tors. theta energy: -98.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1263.931893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.931893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.931893 (E_RNA)
where:
Base-Base interactions energy: -840.172
where: short stacking energy: -363.009
Base-Backbone interact. energy: -3.179
local terms energy: -420.581153
where:
bonds (distance) C4'-P energy: -81.597
bonds (distance) P-C4' energy: -87.907
flat angles C4'-P-C4' energy: -100.612
flat angles P-C4'-P energy: -68.960
tors. eta vs tors. theta energy: -81.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1174.305998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.305998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.305998 (E_RNA)
where:
Base-Base interactions energy: -783.952
where: short stacking energy: -335.074
Base-Backbone interact. energy: -1.063
local terms energy: -389.290584
where:
bonds (distance) C4'-P energy: -77.425
bonds (distance) P-C4' energy: -87.068
flat angles C4'-P-C4' energy: -92.440
flat angles P-C4'-P energy: -65.768
tors. eta vs tors. theta energy: -66.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -746.032015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.032015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.032015 (E_RNA)
where:
Base-Base interactions energy: -432.065
where: short stacking energy: -213.562
Base-Backbone interact. energy: 2.806
local terms energy: -316.773791
where:
bonds (distance) C4'-P energy: -69.730
bonds (distance) P-C4' energy: -97.519
flat angles C4'-P-C4' energy: -82.612
flat angles P-C4'-P energy: -52.818
tors. eta vs tors. theta energy: -14.095
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: 10, replica: 10
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -542.183677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.183677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.183677 (E_RNA)
where:
Base-Base interactions energy: -254.717
where: short stacking energy: -157.425
Base-Backbone interact. energy: 6.258
local terms energy: -293.725070
where:
bonds (distance) C4'-P energy: -74.397
bonds (distance) P-C4' energy: -90.388
flat angles C4'-P-C4' energy: -80.805
flat angles P-C4'-P energy: -47.740
tors. eta vs tors. theta energy: -0.394
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: 1, replica: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1864.283244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.283244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.283244 (E_RNA)
where:
Base-Base interactions energy: -1302.052
where: short stacking energy: -536.711
Base-Backbone interact. energy: 0.824
local terms energy: -563.054861
where:
bonds (distance) C4'-P energy: -103.282
bonds (distance) P-C4' energy: -96.962
flat angles C4'-P-C4' energy: -122.786
flat angles P-C4'-P energy: -85.257
tors. eta vs tors. theta energy: -154.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1727.212904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.212904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.212904 (E_RNA)
where:
Base-Base interactions energy: -1191.741
where: short stacking energy: -502.221
Base-Backbone interact. energy: -0.787
local terms energy: -534.683944
where:
bonds (distance) C4'-P energy: -97.342
bonds (distance) P-C4' energy: -100.062
flat angles C4'-P-C4' energy: -111.755
flat angles P-C4'-P energy: -81.504
tors. eta vs tors. theta energy: -144.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1727.740227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.740227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.740227 (E_RNA)
where:
Base-Base interactions energy: -1203.764
where: short stacking energy: -499.401
Base-Backbone interact. energy: -2.797
local terms energy: -521.179107
where:
bonds (distance) C4'-P energy: -86.716
bonds (distance) P-C4' energy: -105.376
flat angles C4'-P-C4' energy: -118.410
flat angles P-C4'-P energy: -71.112
tors. eta vs tors. theta energy: -139.566
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: 5
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1670.913882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.913882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.913882 (E_RNA)
where:
Base-Base interactions energy: -1147.346
where: short stacking energy: -501.996
Base-Backbone interact. energy: -3.506
local terms energy: -520.061820
where:
bonds (distance) C4'-P energy: -93.958
bonds (distance) P-C4' energy: -104.057
flat angles C4'-P-C4' energy: -109.499
flat angles P-C4'-P energy: -80.759
tors. eta vs tors. theta energy: -131.789
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: 4
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1571.827442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.827442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.827442 (E_RNA)
where:
Base-Base interactions energy: -1085.311
where: short stacking energy: -467.877
Base-Backbone interact. energy: -1.989
local terms energy: -484.527822
where:
bonds (distance) C4'-P energy: -91.710
bonds (distance) P-C4' energy: -88.267
flat angles C4'-P-C4' energy: -105.958
flat angles P-C4'-P energy: -75.399
tors. eta vs tors. theta energy: -123.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1496.408936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.408936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.408936 (E_RNA)
where:
Base-Base interactions energy: -1023.574
where: short stacking energy: -416.038
Base-Backbone interact. energy: -0.743
local terms energy: -472.092016
where:
bonds (distance) C4'-P energy: -93.903
bonds (distance) P-C4' energy: -91.338
flat angles C4'-P-C4' energy: -105.457
flat angles P-C4'-P energy: -70.407
tors. eta vs tors. theta energy: -110.986
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: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1250.856556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.856556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.856556 (E_RNA)
where:
Base-Base interactions energy: -827.000
where: short stacking energy: -339.680
Base-Backbone interact. energy: -4.402
local terms energy: -419.453745
where:
bonds (distance) C4'-P energy: -86.023
bonds (distance) P-C4' energy: -106.537
flat angles C4'-P-C4' energy: -100.698
flat angles P-C4'-P energy: -54.137
tors. eta vs tors. theta energy: -72.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1151.966663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.966663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.966663 (E_RNA)
where:
Base-Base interactions energy: -770.966
where: short stacking energy: -342.307
Base-Backbone interact. energy: -2.007
local terms energy: -378.993537
where:
bonds (distance) C4'-P energy: -78.252
bonds (distance) P-C4' energy: -91.343
flat angles C4'-P-C4' energy: -97.318
flat angles P-C4'-P energy: -50.240
tors. eta vs tors. theta energy: -61.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -815.338984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.338984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.338984 (E_RNA)
where:
Base-Base interactions energy: -495.722
where: short stacking energy: -230.494
Base-Backbone interact. energy: -1.965
local terms energy: -317.652116
where:
bonds (distance) C4'-P energy: -74.838
bonds (distance) P-C4' energy: -98.228
flat angles C4'-P-C4' energy: -64.545
flat angles P-C4'-P energy: -47.897
tors. eta vs tors. theta energy: -32.145
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: 10
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -535.926161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.926161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.926161 (E_RNA)
where:
Base-Base interactions energy: -269.433
where: short stacking energy: -171.307
Base-Backbone interact. energy: 0.947
local terms energy: -267.440029
where:
bonds (distance) C4'-P energy: -67.464
bonds (distance) P-C4' energy: -83.974
flat angles C4'-P-C4' energy: -70.270
flat angles P-C4'-P energy: -43.973
tors. eta vs tors. theta energy: -1.758
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: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1871.812214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.812214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.812214 (E_RNA)
where:
Base-Base interactions energy: -1309.963
where: short stacking energy: -561.220
Base-Backbone interact. energy: -0.304
local terms energy: -561.545474
where:
bonds (distance) C4'-P energy: -107.909
bonds (distance) P-C4' energy: -98.860
flat angles C4'-P-C4' energy: -123.044
flat angles P-C4'-P energy: -74.544
tors. eta vs tors. theta energy: -157.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1766.556345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.556345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.556345 (E_RNA)
where:
Base-Base interactions energy: -1231.194
where: short stacking energy: -531.039
Base-Backbone interact. energy: 0.432
local terms energy: -535.794479
where:
bonds (distance) C4'-P energy: -92.122
bonds (distance) P-C4' energy: -106.140
flat angles C4'-P-C4' energy: -116.146
flat angles P-C4'-P energy: -71.555
tors. eta vs tors. theta energy: -149.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1699.544152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.544152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.544152 (E_RNA)
where:
Base-Base interactions energy: -1159.545
where: short stacking energy: -489.911
Base-Backbone interact. energy: -2.106
local terms energy: -537.893015
where:
bonds (distance) C4'-P energy: -106.565
bonds (distance) P-C4' energy: -104.470
flat angles C4'-P-C4' energy: -111.927
flat angles P-C4'-P energy: -78.587
tors. eta vs tors. theta energy: -136.344
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: 5
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1662.016688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.016688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.016688 (E_RNA)
where:
Base-Base interactions energy: -1183.895
where: short stacking energy: -484.023
Base-Backbone interact. energy: 2.157
local terms energy: -480.278983
where:
bonds (distance) C4'-P energy: -93.054
bonds (distance) P-C4' energy: -74.675
flat angles C4'-P-C4' energy: -111.364
flat angles P-C4'-P energy: -66.984
tors. eta vs tors. theta energy: -134.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1512.425082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.425082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.425082 (E_RNA)
where:
Base-Base interactions energy: -1025.287
where: short stacking energy: -433.587
Base-Backbone interact. energy: -2.126
local terms energy: -485.011753
where:
bonds (distance) C4'-P energy: -94.967
bonds (distance) P-C4' energy: -108.008
flat angles C4'-P-C4' energy: -102.173
flat angles P-C4'-P energy: -61.790
tors. eta vs tors. theta energy: -118.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1496.310251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.310251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.310251 (E_RNA)
where:
Base-Base interactions energy: -1024.056
where: short stacking energy: -445.527
Base-Backbone interact. energy: -1.334
local terms energy: -470.919843
where:
bonds (distance) C4'-P energy: -88.131
bonds (distance) P-C4' energy: -92.346
flat angles C4'-P-C4' energy: -103.432
flat angles P-C4'-P energy: -76.762
tors. eta vs tors. theta energy: -110.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1236.580022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.580022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.580022 (E_RNA)
where:
Base-Base interactions energy: -817.306
where: short stacking energy: -354.952
Base-Backbone interact. energy: -2.372
local terms energy: -416.901836
where:
bonds (distance) C4'-P energy: -92.456
bonds (distance) P-C4' energy: -72.548
flat angles C4'-P-C4' energy: -97.149
flat angles P-C4'-P energy: -73.753
tors. eta vs tors. theta energy: -80.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1200.820813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.820813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.820813 (E_RNA)
where:
Base-Base interactions energy: -793.371
where: short stacking energy: -326.295
Base-Backbone interact. energy: 4.043
local terms energy: -411.492813
where:
bonds (distance) C4'-P energy: -71.911
bonds (distance) P-C4' energy: -96.151
flat angles C4'-P-C4' energy: -90.021
flat angles P-C4'-P energy: -68.752
tors. eta vs tors. theta energy: -84.659
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: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -778.718158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.718158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.718158 (E_RNA)
where:
Base-Base interactions energy: -476.118
where: short stacking energy: -226.804
Base-Backbone interact. energy: -1.222
local terms energy: -301.377858
where:
bonds (distance) C4'-P energy: -88.920
bonds (distance) P-C4' energy: -93.565
flat angles C4'-P-C4' energy: -56.942
flat angles P-C4'-P energy: -51.268
tors. eta vs tors. theta energy: -10.683
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: 467
Temperature: 1.350000
Total energy: -524.170637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.170637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.170637 (E_RNA)
where:
Base-Base interactions energy: -262.886
where: short stacking energy: -137.833
Base-Backbone interact. energy: 6.581
local terms energy: -267.865101
where:
bonds (distance) C4'-P energy: -65.494
bonds (distance) P-C4' energy: -98.444
flat angles C4'-P-C4' energy: -78.175
flat angles P-C4'-P energy: -45.499
tors. eta vs tors. theta energy: 19.747
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: 468
Temperature: 0.900000
Total energy: -1890.345037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.345037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.345037 (E_RNA)
where:
Base-Base interactions energy: -1326.157
where: short stacking energy: -553.304
Base-Backbone interact. energy: -3.211
local terms energy: -560.977020
where:
bonds (distance) C4'-P energy: -105.269
bonds (distance) P-C4' energy: -104.177
flat angles C4'-P-C4' energy: -114.888
flat angles P-C4'-P energy: -77.279
tors. eta vs tors. theta energy: -159.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1764.276276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.276276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.276276 (E_RNA)
where:
Base-Base interactions energy: -1207.279
where: short stacking energy: -502.106
Base-Backbone interact. energy: 0.249
local terms energy: -557.246487
where:
bonds (distance) C4'-P energy: -94.919
bonds (distance) P-C4' energy: -118.396
flat angles C4'-P-C4' energy: -114.185
flat angles P-C4'-P energy: -86.226
tors. eta vs tors. theta energy: -143.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1725.043074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.043074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.043074 (E_RNA)
where:
Base-Base interactions energy: -1216.275
where: short stacking energy: -510.374
Base-Backbone interact. energy: 2.191
local terms energy: -510.959559
where:
bonds (distance) C4'-P energy: -95.678
bonds (distance) P-C4' energy: -86.419
flat angles C4'-P-C4' energy: -111.937
flat angles P-C4'-P energy: -76.547
tors. eta vs tors. theta energy: -140.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1639.463137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.463137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.463137 (E_RNA)
where:
Base-Base interactions energy: -1158.994
where: short stacking energy: -489.197
Base-Backbone interact. energy: -0.932
local terms energy: -479.536650
where:
bonds (distance) C4'-P energy: -85.508
bonds (distance) P-C4' energy: -104.668
flat angles C4'-P-C4' energy: -95.713
flat angles P-C4'-P energy: -73.854
tors. eta vs tors. theta energy: -119.794
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: 5, replica: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1482.060991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.060991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.060991 (E_RNA)
where:
Base-Base interactions energy: -1023.847
where: short stacking energy: -445.133
Base-Backbone interact. energy: -1.405
local terms energy: -456.808695
where:
bonds (distance) C4'-P energy: -87.305
bonds (distance) P-C4' energy: -96.294
flat angles C4'-P-C4' energy: -86.117
flat angles P-C4'-P energy: -70.083
tors. eta vs tors. theta energy: -117.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1446.170746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.170746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.170746 (E_RNA)
where:
Base-Base interactions energy: -997.757
where: short stacking energy: -429.505
Base-Backbone interact. energy: 1.432
local terms energy: -449.846085
where:
bonds (distance) C4'-P energy: -88.190
bonds (distance) P-C4' energy: -94.623
flat angles C4'-P-C4' energy: -95.812
flat angles P-C4'-P energy: -57.117
tors. eta vs tors. theta energy: -114.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1212.146238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.146238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.146238 (E_RNA)
where:
Base-Base interactions energy: -805.596
where: short stacking energy: -355.416
Base-Backbone interact. energy: 0.327
local terms energy: -406.877377
where:
bonds (distance) C4'-P energy: -92.665
bonds (distance) P-C4' energy: -95.854
flat angles C4'-P-C4' energy: -86.472
flat angles P-C4'-P energy: -58.069
tors. eta vs tors. theta energy: -73.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1200.529296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.529296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.529296 (E_RNA)
where:
Base-Base interactions energy: -787.973
where: short stacking energy: -344.551
Base-Backbone interact. energy: 3.915
local terms energy: -416.472174
where:
bonds (distance) C4'-P energy: -70.672
bonds (distance) P-C4' energy: -96.642
flat angles C4'-P-C4' energy: -98.460
flat angles P-C4'-P energy: -73.963
tors. eta vs tors. theta energy: -76.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -787.000911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.000911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.000911 (E_RNA)
where:
Base-Base interactions energy: -470.903
where: short stacking energy: -217.768
Base-Backbone interact. energy: 10.229
local terms energy: -326.327260
where:
bonds (distance) C4'-P energy: -72.685
bonds (distance) P-C4' energy: -100.266
flat angles C4'-P-C4' energy: -87.955
flat angles P-C4'-P energy: -54.347
tors. eta vs tors. theta energy: -11.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -540.990501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.990501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.990501 (E_RNA)
where:
Base-Base interactions energy: -278.750
where: short stacking energy: -142.498
Base-Backbone interact. energy: 0.680
local terms energy: -262.920037
where:
bonds (distance) C4'-P energy: -80.335
bonds (distance) P-C4' energy: -86.173
flat angles C4'-P-C4' energy: -70.987
flat angles P-C4'-P energy: -36.330
tors. eta vs tors. theta energy: 10.905
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: 1, replica: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1886.836285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.836285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.836285 (E_RNA)
where:
Base-Base interactions energy: -1318.308
where: short stacking energy: -561.275
Base-Backbone interact. energy: -0.657
local terms energy: -567.870730
where:
bonds (distance) C4'-P energy: -95.823
bonds (distance) P-C4' energy: -107.135
flat angles C4'-P-C4' energy: -119.650
flat angles P-C4'-P energy: -86.442
tors. eta vs tors. theta energy: -158.821
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: 469
Temperature: 0.950000
Total energy: -1785.935089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.935089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.935089 (E_RNA)
where:
Base-Base interactions energy: -1246.730
where: short stacking energy: -533.677
Base-Backbone interact. energy: -1.488
local terms energy: -537.716428
where:
bonds (distance) C4'-P energy: -94.177
bonds (distance) P-C4' energy: -103.056
flat angles C4'-P-C4' energy: -113.082
flat angles P-C4'-P energy: -82.109
tors. eta vs tors. theta energy: -145.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1718.782279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.782279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.782279 (E_RNA)
where:
Base-Base interactions energy: -1209.634
where: short stacking energy: -505.977
Base-Backbone interact. energy: -0.889
local terms energy: -508.259219
where:
bonds (distance) C4'-P energy: -86.896
bonds (distance) P-C4' energy: -106.060
flat angles C4'-P-C4' energy: -99.879
flat angles P-C4'-P energy: -68.209
tors. eta vs tors. theta energy: -147.215
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: 3
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1614.798173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.798173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.798173 (E_RNA)
where:
Base-Base interactions energy: -1119.947
where: short stacking energy: -472.961
Base-Backbone interact. energy: 4.978
local terms energy: -499.828553
where:
bonds (distance) C4'-P energy: -96.604
bonds (distance) P-C4' energy: -95.182
flat angles C4'-P-C4' energy: -106.732
flat angles P-C4'-P energy: -81.574
tors. eta vs tors. theta energy: -119.737
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: 6
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1548.809925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.809925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.809925 (E_RNA)
where:
Base-Base interactions energy: -1053.524
where: short stacking energy: -466.155
Base-Backbone interact. energy: -3.520
local terms energy: -491.766454
where:
bonds (distance) C4'-P energy: -98.468
bonds (distance) P-C4' energy: -91.655
flat angles C4'-P-C4' energy: -101.966
flat angles P-C4'-P energy: -72.962
tors. eta vs tors. theta energy: -126.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1451.927725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.927725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.927725 (E_RNA)
where:
Base-Base interactions energy: -990.013
where: short stacking energy: -428.456
Base-Backbone interact. energy: -1.489
local terms energy: -460.425343
where:
bonds (distance) C4'-P energy: -89.070
bonds (distance) P-C4' energy: -98.424
flat angles C4'-P-C4' energy: -110.621
flat angles P-C4'-P energy: -64.251
tors. eta vs tors. theta energy: -98.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1219.092580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.092580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.092580 (E_RNA)
where:
Base-Base interactions energy: -802.342
where: short stacking energy: -338.801
Base-Backbone interact. energy: -0.279
local terms energy: -416.471722
where:
bonds (distance) C4'-P energy: -80.812
bonds (distance) P-C4' energy: -88.092
flat angles C4'-P-C4' energy: -114.084
flat angles P-C4'-P energy: -63.221
tors. eta vs tors. theta energy: -70.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1195.365985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.365985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.365985 (E_RNA)
where:
Base-Base interactions energy: -789.691
where: short stacking energy: -336.697
Base-Backbone interact. energy: -2.345
local terms energy: -403.329124
where:
bonds (distance) C4'-P energy: -78.272
bonds (distance) P-C4' energy: -94.310
flat angles C4'-P-C4' energy: -93.486
flat angles P-C4'-P energy: -62.015
tors. eta vs tors. theta energy: -75.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -833.786197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.786197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.786197 (E_RNA)
where:
Base-Base interactions energy: -509.227
where: short stacking energy: -249.895
Base-Backbone interact. energy: 4.986
local terms energy: -329.545033
where:
bonds (distance) C4'-P energy: -87.069
bonds (distance) P-C4' energy: -86.990
flat angles C4'-P-C4' energy: -76.720
flat angles P-C4'-P energy: -42.259
tors. eta vs tors. theta energy: -36.506
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: 469
Temperature: 1.350000
Total energy: -503.854721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.854721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.854721 (E_RNA)
where:
Base-Base interactions energy: -210.343
where: short stacking energy: -131.154
Base-Backbone interact. energy: 3.092
local terms energy: -296.603775
where:
bonds (distance) C4'-P energy: -88.663
bonds (distance) P-C4' energy: -86.704
flat angles C4'-P-C4' energy: -80.007
flat angles P-C4'-P energy: -55.835
tors. eta vs tors. theta energy: 14.605
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: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1881.710699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.710699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.710699 (E_RNA)
where:
Base-Base interactions energy: -1348.281
where: short stacking energy: -543.445
Base-Backbone interact. energy: -1.169
local terms energy: -532.260528
where:
bonds (distance) C4'-P energy: -92.603
bonds (distance) P-C4' energy: -95.073
flat angles C4'-P-C4' energy: -120.451
flat angles P-C4'-P energy: -76.278
tors. eta vs tors. theta energy: -147.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1751.456707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.456707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.456707 (E_RNA)
where:
Base-Base interactions energy: -1222.024
where: short stacking energy: -518.152
Base-Backbone interact. energy: -2.110
local terms energy: -527.323285
where:
bonds (distance) C4'-P energy: -82.394
bonds (distance) P-C4' energy: -111.771
flat angles C4'-P-C4' energy: -120.508
flat angles P-C4'-P energy: -76.892
tors. eta vs tors. theta energy: -135.759
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: 3
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1693.277047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.277047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.277047 (E_RNA)
where:
Base-Base interactions energy: -1165.163
where: short stacking energy: -478.781
Base-Backbone interact. energy: -0.831
local terms energy: -527.283094
where:
bonds (distance) C4'-P energy: -99.475
bonds (distance) P-C4' energy: -105.742
flat angles C4'-P-C4' energy: -114.060
flat angles P-C4'-P energy: -75.979
tors. eta vs tors. theta energy: -132.027
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: 5
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1667.518723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.518723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.518723 (E_RNA)
where:
Base-Base interactions energy: -1133.373
where: short stacking energy: -499.172
Base-Backbone interact. energy: 0.122
local terms energy: -534.267732
where:
bonds (distance) C4'-P energy: -94.765
bonds (distance) P-C4' energy: -92.123
flat angles C4'-P-C4' energy: -116.923
flat angles P-C4'-P energy: -84.092
tors. eta vs tors. theta energy: -146.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1538.615231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.615231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.615231 (E_RNA)
where:
Base-Base interactions energy: -1065.335
where: short stacking energy: -471.958
Base-Backbone interact. energy: -1.703
local terms energy: -471.576976
where:
bonds (distance) C4'-P energy: -83.286
bonds (distance) P-C4' energy: -95.418
flat angles C4'-P-C4' energy: -101.968
flat angles P-C4'-P energy: -76.533
tors. eta vs tors. theta energy: -114.372
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: 6
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1480.203315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.203315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.203315 (E_RNA)
where:
Base-Base interactions energy: -998.455
where: short stacking energy: -427.540
Base-Backbone interact. energy: -1.173
local terms energy: -480.575868
where:
bonds (distance) C4'-P energy: -95.111
bonds (distance) P-C4' energy: -100.226
flat angles C4'-P-C4' energy: -104.767
flat angles P-C4'-P energy: -65.315
tors. eta vs tors. theta energy: -115.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1196.142358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.142358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.142358 (E_RNA)
where:
Base-Base interactions energy: -758.645
where: short stacking energy: -355.326
Base-Backbone interact. energy: -0.809
local terms energy: -436.688274
where:
bonds (distance) C4'-P energy: -88.719
bonds (distance) P-C4' energy: -100.896
flat angles C4'-P-C4' energy: -110.835
flat angles P-C4'-P energy: -59.302
tors. eta vs tors. theta energy: -76.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1193.022304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.022304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.022304 (E_RNA)
where:
Base-Base interactions energy: -812.572
where: short stacking energy: -330.861
Base-Backbone interact. energy: 0.312
local terms energy: -380.762675
where:
bonds (distance) C4'-P energy: -85.614
bonds (distance) P-C4' energy: -83.476
flat angles C4'-P-C4' energy: -95.860
flat angles P-C4'-P energy: -61.388
tors. eta vs tors. theta energy: -54.425
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: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -825.815478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.815478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.815478 (E_RNA)
where:
Base-Base interactions energy: -486.024
where: short stacking energy: -234.149
Base-Backbone interact. energy: -1.859
local terms energy: -337.932252
where:
bonds (distance) C4'-P energy: -88.133
bonds (distance) P-C4' energy: -75.736
flat angles C4'-P-C4' energy: -86.903
flat angles P-C4'-P energy: -57.423
tors. eta vs tors. theta energy: -29.737
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: 470
Temperature: 1.350000
Total energy: -561.384927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.384927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.384927 (E_RNA)
where:
Base-Base interactions energy: -286.883
where: short stacking energy: -152.437
Base-Backbone interact. energy: -1.937
local terms energy: -272.564692
where:
bonds (distance) C4'-P energy: -83.005
bonds (distance) P-C4' energy: -76.287
flat angles C4'-P-C4' energy: -91.947
flat angles P-C4'-P energy: -39.790
tors. eta vs tors. theta energy: 18.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1882.494010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.494010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.494010 (E_RNA)
where:
Base-Base interactions energy: -1334.705
where: short stacking energy: -543.256
Base-Backbone interact. energy: -2.937
local terms energy: -544.851877
where:
bonds (distance) C4'-P energy: -95.087
bonds (distance) P-C4' energy: -104.914
flat angles C4'-P-C4' energy: -125.130
flat angles P-C4'-P energy: -61.769
tors. eta vs tors. theta energy: -157.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1771.308847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.308847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.308847 (E_RNA)
where:
Base-Base interactions energy: -1222.987
where: short stacking energy: -500.796
Base-Backbone interact. energy: 1.259
local terms energy: -549.580144
where:
bonds (distance) C4'-P energy: -105.987
bonds (distance) P-C4' energy: -107.778
flat angles C4'-P-C4' energy: -117.677
flat angles P-C4'-P energy: -67.672
tors. eta vs tors. theta energy: -150.466
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: 471
Temperature: 1.000000
Total energy: -1746.837876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.837876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.837876 (E_RNA)
where:
Base-Base interactions energy: -1229.530
where: short stacking energy: -513.991
Base-Backbone interact. energy: -2.997
local terms energy: -514.310204
where:
bonds (distance) C4'-P energy: -87.995
bonds (distance) P-C4' energy: -104.604
flat angles C4'-P-C4' energy: -116.468
flat angles P-C4'-P energy: -70.604
tors. eta vs tors. theta energy: -134.639
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: 5
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1655.794747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.794747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.794747 (E_RNA)
where:
Base-Base interactions energy: -1149.345
where: short stacking energy: -494.788
Base-Backbone interact. energy: 3.498
local terms energy: -509.948110
where:
bonds (distance) C4'-P energy: -96.702
bonds (distance) P-C4' energy: -101.750
flat angles C4'-P-C4' energy: -109.054
flat angles P-C4'-P energy: -67.339
tors. eta vs tors. theta energy: -135.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1579.651905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.651905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.651905 (E_RNA)
where:
Base-Base interactions energy: -1075.913
where: short stacking energy: -470.100
Base-Backbone interact. energy: -1.485
local terms energy: -502.254286
where:
bonds (distance) C4'-P energy: -87.483
bonds (distance) P-C4' energy: -94.340
flat angles C4'-P-C4' energy: -120.967
flat angles P-C4'-P energy: -82.021
tors. eta vs tors. theta energy: -117.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1443.393316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.393316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.393316 (E_RNA)
where:
Base-Base interactions energy: -976.661
where: short stacking energy: -406.894
Base-Backbone interact. energy: -2.944
local terms energy: -463.787745
where:
bonds (distance) C4'-P energy: -87.739
bonds (distance) P-C4' energy: -104.739
flat angles C4'-P-C4' energy: -93.564
flat angles P-C4'-P energy: -69.304
tors. eta vs tors. theta energy: -108.441
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: 7, replica: 7
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1172.397783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.397783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.397783 (E_RNA)
where:
Base-Base interactions energy: -782.379
where: short stacking energy: -337.469
Base-Backbone interact. energy: -1.469
local terms energy: -388.549969
where:
bonds (distance) C4'-P energy: -77.687
bonds (distance) P-C4' energy: -80.017
flat angles C4'-P-C4' energy: -101.454
flat angles P-C4'-P energy: -71.941
tors. eta vs tors. theta energy: -57.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1238.526007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.526007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.526007 (E_RNA)
where:
Base-Base interactions energy: -819.286
where: short stacking energy: -350.723
Base-Backbone interact. energy: -2.529
local terms energy: -416.711785
where:
bonds (distance) C4'-P energy: -81.482
bonds (distance) P-C4' energy: -100.888
flat angles C4'-P-C4' energy: -95.137
flat angles P-C4'-P energy: -60.865
tors. eta vs tors. theta energy: -78.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -830.663149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.663149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.663149 (E_RNA)
where:
Base-Base interactions energy: -490.758
where: short stacking energy: -239.970
Base-Backbone interact. energy: 8.839
local terms energy: -348.744406
where:
bonds (distance) C4'-P energy: -81.471
bonds (distance) P-C4' energy: -100.227
flat angles C4'-P-C4' energy: -78.336
flat angles P-C4'-P energy: -58.374
tors. eta vs tors. theta energy: -30.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -551.753248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.753248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.753248 (E_RNA)
where:
Base-Base interactions energy: -269.378
where: short stacking energy: -171.822
Base-Backbone interact. energy: 0.085
local terms energy: -282.460058
where:
bonds (distance) C4'-P energy: -76.068
bonds (distance) P-C4' energy: -85.636
flat angles C4'-P-C4' energy: -84.566
flat angles P-C4'-P energy: -28.134
tors. eta vs tors. theta energy: -8.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1891.017960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.017960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.017960 (E_RNA)
where:
Base-Base interactions energy: -1321.134
where: short stacking energy: -526.160
Base-Backbone interact. energy: -2.018
local terms energy: -567.865814
where:
bonds (distance) C4'-P energy: -103.811
bonds (distance) P-C4' energy: -104.644
flat angles C4'-P-C4' energy: -128.670
flat angles P-C4'-P energy: -80.896
tors. eta vs tors. theta energy: -149.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1784.009889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.009889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.009889 (E_RNA)
where:
Base-Base interactions energy: -1247.509
where: short stacking energy: -528.538
Base-Backbone interact. energy: -3.170
local terms energy: -533.330288
where:
bonds (distance) C4'-P energy: -100.338
bonds (distance) P-C4' energy: -102.633
flat angles C4'-P-C4' energy: -109.846
flat angles P-C4'-P energy: -65.348
tors. eta vs tors. theta energy: -155.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1730.904631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.904631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.904631 (E_RNA)
where:
Base-Base interactions energy: -1219.506
where: short stacking energy: -502.813
Base-Backbone interact. energy: -1.710
local terms energy: -509.688596
where:
bonds (distance) C4'-P energy: -80.883
bonds (distance) P-C4' energy: -104.383
flat angles C4'-P-C4' energy: -109.048
flat angles P-C4'-P energy: -76.005
tors. eta vs tors. theta energy: -139.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1659.648382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.648382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.648382 (E_RNA)
where:
Base-Base interactions energy: -1142.674
where: short stacking energy: -488.829
Base-Backbone interact. energy: -2.805
local terms energy: -514.169610
where:
bonds (distance) C4'-P energy: -83.483
bonds (distance) P-C4' energy: -109.582
flat angles C4'-P-C4' energy: -109.626
flat angles P-C4'-P energy: -76.625
tors. eta vs tors. theta energy: -134.853
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: 5, replica: 6
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1528.412842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.412842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.412842 (E_RNA)
where:
Base-Base interactions energy: -1024.053
where: short stacking energy: -443.107
Base-Backbone interact. energy: -3.603
local terms energy: -500.756555
where:
bonds (distance) C4'-P energy: -93.866
bonds (distance) P-C4' energy: -104.715
flat angles C4'-P-C4' energy: -105.272
flat angles P-C4'-P energy: -74.546
tors. eta vs tors. theta energy: -122.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1483.437480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.437480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.437480 (E_RNA)
where:
Base-Base interactions energy: -1006.938
where: short stacking energy: -430.323
Base-Backbone interact. energy: -2.431
local terms energy: -474.068412
where:
bonds (distance) C4'-P energy: -89.764
bonds (distance) P-C4' energy: -92.491
flat angles C4'-P-C4' energy: -107.161
flat angles P-C4'-P energy: -73.713
tors. eta vs tors. theta energy: -110.939
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: 8
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1400.471364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.471364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.471364 (E_RNA)
where:
Base-Base interactions energy: -969.635
where: short stacking energy: -422.606
Base-Backbone interact. energy: 2.169
local terms energy: -433.004768
where:
bonds (distance) C4'-P energy: -85.365
bonds (distance) P-C4' energy: -96.348
flat angles C4'-P-C4' energy: -94.887
flat angles P-C4'-P energy: -56.068
tors. eta vs tors. theta energy: -100.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1164.418990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.418990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.418990 (E_RNA)
where:
Base-Base interactions energy: -750.077
where: short stacking energy: -317.561
Base-Backbone interact. energy: -1.835
local terms energy: -412.507313
where:
bonds (distance) C4'-P energy: -95.430
bonds (distance) P-C4' energy: -90.486
flat angles C4'-P-C4' energy: -88.801
flat angles P-C4'-P energy: -56.948
tors. eta vs tors. theta energy: -80.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -813.364841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.364841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.364841 (E_RNA)
where:
Base-Base interactions energy: -477.446
where: short stacking energy: -209.004
Base-Backbone interact. energy: 2.953
local terms energy: -338.872374
where:
bonds (distance) C4'-P energy: -89.848
bonds (distance) P-C4' energy: -87.727
flat angles C4'-P-C4' energy: -87.472
flat angles P-C4'-P energy: -52.427
tors. eta vs tors. theta energy: -21.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -544.213587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.213587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.213587 (E_RNA)
where:
Base-Base interactions energy: -249.937
where: short stacking energy: -156.926
Base-Backbone interact. energy: -3.845
local terms energy: -290.431499
where:
bonds (distance) C4'-P energy: -68.562
bonds (distance) P-C4' energy: -91.553
flat angles C4'-P-C4' energy: -88.203
flat angles P-C4'-P energy: -43.775
tors. eta vs tors. theta energy: 1.661
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: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1898.341718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.341718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.341718 (E_RNA)
where:
Base-Base interactions energy: -1337.427
where: short stacking energy: -549.825
Base-Backbone interact. energy: -0.505
local terms energy: -560.409318
where:
bonds (distance) C4'-P energy: -105.121
bonds (distance) P-C4' energy: -103.531
flat angles C4'-P-C4' energy: -122.616
flat angles P-C4'-P energy: -74.614
tors. eta vs tors. theta energy: -154.528
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: 3
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1773.643033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.643033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.643033 (E_RNA)
where:
Base-Base interactions energy: -1235.611
where: short stacking energy: -498.783
Base-Backbone interact. energy: -0.454
local terms energy: -537.578293
where:
bonds (distance) C4'-P energy: -119.814
bonds (distance) P-C4' energy: -103.709
flat angles C4'-P-C4' energy: -102.359
flat angles P-C4'-P energy: -78.339
tors. eta vs tors. theta energy: -133.358
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: 1
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1738.206652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.206652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.206652 (E_RNA)
where:
Base-Base interactions energy: -1225.485
where: short stacking energy: -521.107
Base-Backbone interact. energy: -0.767
local terms energy: -511.954400
where:
bonds (distance) C4'-P energy: -98.531
bonds (distance) P-C4' energy: -99.705
flat angles C4'-P-C4' energy: -110.023
flat angles P-C4'-P energy: -62.099
tors. eta vs tors. theta energy: -141.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1638.566737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.566737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.566737 (E_RNA)
where:
Base-Base interactions energy: -1130.837
where: short stacking energy: -463.729
Base-Backbone interact. energy: 1.102
local terms energy: -508.831874
where:
bonds (distance) C4'-P energy: -95.759
bonds (distance) P-C4' energy: -96.977
flat angles C4'-P-C4' energy: -109.834
flat angles P-C4'-P energy: -72.752
tors. eta vs tors. theta energy: -133.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1517.885097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.885097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.885097 (E_RNA)
where:
Base-Base interactions energy: -1048.010
where: short stacking energy: -440.385
Base-Backbone interact. energy: -2.792
local terms energy: -467.083739
where:
bonds (distance) C4'-P energy: -82.605
bonds (distance) P-C4' energy: -89.363
flat angles C4'-P-C4' energy: -109.953
flat angles P-C4'-P energy: -58.688
tors. eta vs tors. theta energy: -126.475
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: 4
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1509.680226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.680226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.680226 (E_RNA)
where:
Base-Base interactions energy: -1056.140
where: short stacking energy: -450.219
Base-Backbone interact. energy: -1.239
local terms energy: -452.301249
where:
bonds (distance) C4'-P energy: -86.185
bonds (distance) P-C4' energy: -85.933
flat angles C4'-P-C4' energy: -99.416
flat angles P-C4'-P energy: -68.609
tors. eta vs tors. theta energy: -112.159
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: 8
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1364.377308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.377308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.377308 (E_RNA)
where:
Base-Base interactions energy: -931.386
where: short stacking energy: -394.166
Base-Backbone interact. energy: 0.708
local terms energy: -433.699073
where:
bonds (distance) C4'-P energy: -87.511
bonds (distance) P-C4' energy: -88.727
flat angles C4'-P-C4' energy: -100.766
flat angles P-C4'-P energy: -60.421
tors. eta vs tors. theta energy: -96.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1155.712001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.712001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.712001 (E_RNA)
where:
Base-Base interactions energy: -758.027
where: short stacking energy: -311.370
Base-Backbone interact. energy: -1.930
local terms energy: -395.755212
where:
bonds (distance) C4'-P energy: -88.697
bonds (distance) P-C4' energy: -90.328
flat angles C4'-P-C4' energy: -92.954
flat angles P-C4'-P energy: -54.925
tors. eta vs tors. theta energy: -68.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -805.856311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.856311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.856311 (E_RNA)
where:
Base-Base interactions energy: -483.056
where: short stacking energy: -206.529
Base-Backbone interact. energy: -2.506
local terms energy: -320.294283
where:
bonds (distance) C4'-P energy: -85.824
bonds (distance) P-C4' energy: -91.586
flat angles C4'-P-C4' energy: -93.410
flat angles P-C4'-P energy: -39.044
tors. eta vs tors. theta energy: -10.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -548.642207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.642207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.642207 (E_RNA)
where:
Base-Base interactions energy: -264.332
where: short stacking energy: -125.212
Base-Backbone interact. energy: 0.892
local terms energy: -285.202788
where:
bonds (distance) C4'-P energy: -77.567
bonds (distance) P-C4' energy: -85.123
flat angles C4'-P-C4' energy: -78.515
flat angles P-C4'-P energy: -57.020
tors. eta vs tors. theta energy: 13.023
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: 474
Temperature: 0.900000
Total energy: -1871.340756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.340756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.340756 (E_RNA)
where:
Base-Base interactions energy: -1310.390
where: short stacking energy: -544.369
Base-Backbone interact. energy: -0.460
local terms energy: -560.489992
where:
bonds (distance) C4'-P energy: -88.282
bonds (distance) P-C4' energy: -112.490
flat angles C4'-P-C4' energy: -117.943
flat angles P-C4'-P energy: -81.948
tors. eta vs tors. theta energy: -159.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1789.657874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.657874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.657874 (E_RNA)
where:
Base-Base interactions energy: -1261.874
where: short stacking energy: -510.514
Base-Backbone interact. energy: -1.228
local terms energy: -526.556336
where:
bonds (distance) C4'-P energy: -103.423
bonds (distance) P-C4' energy: -95.483
flat angles C4'-P-C4' energy: -111.655
flat angles P-C4'-P energy: -74.537
tors. eta vs tors. theta energy: -141.458
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: 1
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1721.247927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.247927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.247927 (E_RNA)
where:
Base-Base interactions energy: -1196.004
where: short stacking energy: -538.547
Base-Backbone interact. energy: -2.135
local terms energy: -523.108304
where:
bonds (distance) C4'-P energy: -84.636
bonds (distance) P-C4' energy: -103.366
flat angles C4'-P-C4' energy: -114.209
flat angles P-C4'-P energy: -70.895
tors. eta vs tors. theta energy: -150.003
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: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1691.159742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.159742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.159742 (E_RNA)
where:
Base-Base interactions energy: -1183.693
where: short stacking energy: -484.795
Base-Backbone interact. energy: -2.125
local terms energy: -505.341234
where:
bonds (distance) C4'-P energy: -99.518
bonds (distance) P-C4' energy: -94.032
flat angles C4'-P-C4' energy: -101.888
flat angles P-C4'-P energy: -73.364
tors. eta vs tors. theta energy: -136.539
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: 4
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1537.683166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.683166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.683166 (E_RNA)
where:
Base-Base interactions energy: -1050.023
where: short stacking energy: -447.369
Base-Backbone interact. energy: -1.067
local terms energy: -486.593138
where:
bonds (distance) C4'-P energy: -94.852
bonds (distance) P-C4' energy: -85.878
flat angles C4'-P-C4' energy: -111.008
flat angles P-C4'-P energy: -78.601
tors. eta vs tors. theta energy: -116.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1480.951135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.951135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.951135 (E_RNA)
where:
Base-Base interactions energy: -1016.488
where: short stacking energy: -418.948
Base-Backbone interact. energy: -4.340
local terms energy: -460.122519
where:
bonds (distance) C4'-P energy: -74.395
bonds (distance) P-C4' energy: -85.115
flat angles C4'-P-C4' energy: -105.059
flat angles P-C4'-P energy: -63.705
tors. eta vs tors. theta energy: -131.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1372.319067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.319067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.319067 (E_RNA)
where:
Base-Base interactions energy: -945.072
where: short stacking energy: -381.364
Base-Backbone interact. energy: 4.215
local terms energy: -431.462689
where:
bonds (distance) C4'-P energy: -67.639
bonds (distance) P-C4' energy: -104.407
flat angles C4'-P-C4' energy: -105.673
flat angles P-C4'-P energy: -51.040
tors. eta vs tors. theta energy: -102.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1183.902505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.902505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.902505 (E_RNA)
where:
Base-Base interactions energy: -794.072
where: short stacking energy: -332.259
Base-Backbone interact. energy: 0.563
local terms energy: -390.393255
where:
bonds (distance) C4'-P energy: -89.652
bonds (distance) P-C4' energy: -86.996
flat angles C4'-P-C4' energy: -83.726
flat angles P-C4'-P energy: -66.806
tors. eta vs tors. theta energy: -63.213
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: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -749.327053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.327053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.327053 (E_RNA)
where:
Base-Base interactions energy: -447.148
where: short stacking energy: -214.347
Base-Backbone interact. energy: 2.032
local terms energy: -304.210931
where:
bonds (distance) C4'-P energy: -80.460
bonds (distance) P-C4' energy: -89.046
flat angles C4'-P-C4' energy: -74.962
flat angles P-C4'-P energy: -57.630
tors. eta vs tors. theta energy: -2.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -535.956105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.956105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.956105 (E_RNA)
where:
Base-Base interactions energy: -254.431
where: short stacking energy: -162.686
Base-Backbone interact. energy: 0.487
local terms energy: -282.012005
where:
bonds (distance) C4'-P energy: -79.767
bonds (distance) P-C4' energy: -87.540
flat angles C4'-P-C4' energy: -72.702
flat angles P-C4'-P energy: -48.848
tors. eta vs tors. theta energy: 6.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1878.589830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.589830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.589830 (E_RNA)
where:
Base-Base interactions energy: -1315.723
where: short stacking energy: -539.728
Base-Backbone interact. energy: 0.231
local terms energy: -563.097177
where:
bonds (distance) C4'-P energy: -105.971
bonds (distance) P-C4' energy: -96.348
flat angles C4'-P-C4' energy: -120.420
flat angles P-C4'-P energy: -84.655
tors. eta vs tors. theta energy: -155.703
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: 1
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1766.451605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.451605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.451605 (E_RNA)
where:
Base-Base interactions energy: -1235.358
where: short stacking energy: -514.814
Base-Backbone interact. energy: -1.803
local terms energy: -529.290213
where:
bonds (distance) C4'-P energy: -103.923
bonds (distance) P-C4' energy: -116.087
flat angles C4'-P-C4' energy: -103.152
flat angles P-C4'-P energy: -69.237
tors. eta vs tors. theta energy: -136.891
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: 3
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1738.912615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.912615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.912615 (E_RNA)
where:
Base-Base interactions energy: -1228.167
where: short stacking energy: -472.441
Base-Backbone interact. energy: 0.120
local terms energy: -510.865473
where:
bonds (distance) C4'-P energy: -98.598
bonds (distance) P-C4' energy: -105.718
flat angles C4'-P-C4' energy: -105.257
flat angles P-C4'-P energy: -72.493
tors. eta vs tors. theta energy: -128.799
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: 5
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1629.981294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.981294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.981294 (E_RNA)
where:
Base-Base interactions energy: -1133.354
where: short stacking energy: -494.714
Base-Backbone interact. energy: 0.171
local terms energy: -496.797447
where:
bonds (distance) C4'-P energy: -86.197
bonds (distance) P-C4' energy: -109.479
flat angles C4'-P-C4' energy: -114.636
flat angles P-C4'-P energy: -64.761
tors. eta vs tors. theta energy: -121.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1545.012717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.012717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.012717 (E_RNA)
where:
Base-Base interactions energy: -1058.802
where: short stacking energy: -457.957
Base-Backbone interact. energy: 5.545
local terms energy: -491.755725
where:
bonds (distance) C4'-P energy: -93.360
bonds (distance) P-C4' energy: -94.383
flat angles C4'-P-C4' energy: -109.509
flat angles P-C4'-P energy: -75.273
tors. eta vs tors. theta energy: -119.230
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: 6
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1507.830810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.830810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.830810 (E_RNA)
where:
Base-Base interactions energy: -1065.823
where: short stacking energy: -438.104
Base-Backbone interact. energy: -2.693
local terms energy: -439.315066
where:
bonds (distance) C4'-P energy: -80.516
bonds (distance) P-C4' energy: -81.220
flat angles C4'-P-C4' energy: -91.715
flat angles P-C4'-P energy: -71.446
tors. eta vs tors. theta energy: -114.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1368.081853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.081853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.081853 (E_RNA)
where:
Base-Base interactions energy: -920.497
where: short stacking energy: -419.704
Base-Backbone interact. energy: 1.345
local terms energy: -448.930131
where:
bonds (distance) C4'-P energy: -84.839
bonds (distance) P-C4' energy: -98.419
flat angles C4'-P-C4' energy: -92.903
flat angles P-C4'-P energy: -61.787
tors. eta vs tors. theta energy: -110.983
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: 7
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1201.803019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.803019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.803019 (E_RNA)
where:
Base-Base interactions energy: -803.059
where: short stacking energy: -333.505
Base-Backbone interact. energy: 1.465
local terms energy: -400.209715
where:
bonds (distance) C4'-P energy: -85.821
bonds (distance) P-C4' energy: -85.864
flat angles C4'-P-C4' energy: -101.395
flat angles P-C4'-P energy: -49.480
tors. eta vs tors. theta energy: -77.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -739.898113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.898113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.898113 (E_RNA)
where:
Base-Base interactions energy: -444.986
where: short stacking energy: -212.074
Base-Backbone interact. energy: 0.939
local terms energy: -295.851096
where:
bonds (distance) C4'-P energy: -90.218
bonds (distance) P-C4' energy: -75.431
flat angles C4'-P-C4' energy: -64.904
flat angles P-C4'-P energy: -50.180
tors. eta vs tors. theta energy: -15.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -510.856584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.856584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.856584 (E_RNA)
where:
Base-Base interactions energy: -252.524
where: short stacking energy: -159.666
Base-Backbone interact. energy: -0.505
local terms energy: -257.827035
where:
bonds (distance) C4'-P energy: -69.399
bonds (distance) P-C4' energy: -84.556
flat angles C4'-P-C4' energy: -69.116
flat angles P-C4'-P energy: -46.779
tors. eta vs tors. theta energy: 12.023
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: 476
Temperature: 0.900000
Total energy: -1898.946939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.946939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.946939 (E_RNA)
where:
Base-Base interactions energy: -1339.354
where: short stacking energy: -548.243
Base-Backbone interact. energy: 1.283
local terms energy: -560.876674
where:
bonds (distance) C4'-P energy: -101.230
bonds (distance) P-C4' energy: -106.955
flat angles C4'-P-C4' energy: -110.663
flat angles P-C4'-P energy: -85.644
tors. eta vs tors. theta energy: -156.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1756.078677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.078677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.078677 (E_RNA)
where:
Base-Base interactions energy: -1214.598
where: short stacking energy: -506.315
Base-Backbone interact. energy: -2.489
local terms energy: -538.992248
where:
bonds (distance) C4'-P energy: -88.068
bonds (distance) P-C4' energy: -119.390
flat angles C4'-P-C4' energy: -107.713
flat angles P-C4'-P energy: -78.832
tors. eta vs tors. theta energy: -144.989
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: 476
Temperature: 1.000000
Total energy: -1713.206395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.206395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.206395 (E_RNA)
where:
Base-Base interactions energy: -1179.036
where: short stacking energy: -489.526
Base-Backbone interact. energy: -1.647
local terms energy: -532.523385
where:
bonds (distance) C4'-P energy: -99.351
bonds (distance) P-C4' energy: -112.499
flat angles C4'-P-C4' energy: -122.276
flat angles P-C4'-P energy: -68.127
tors. eta vs tors. theta energy: -130.271
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: 5
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1630.565366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.565366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.565366 (E_RNA)
where:
Base-Base interactions energy: -1129.948
where: short stacking energy: -482.322
Base-Backbone interact. energy: -0.626
local terms energy: -499.990934
where:
bonds (distance) C4'-P energy: -94.333
bonds (distance) P-C4' energy: -91.973
flat angles C4'-P-C4' energy: -122.542
flat angles P-C4'-P energy: -69.011
tors. eta vs tors. theta energy: -122.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1555.869364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.869364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.869364 (E_RNA)
where:
Base-Base interactions energy: -1070.077
where: short stacking energy: -461.144
Base-Backbone interact. energy: 1.214
local terms energy: -487.006402
where:
bonds (distance) C4'-P energy: -100.875
bonds (distance) P-C4' energy: -97.533
flat angles C4'-P-C4' energy: -100.231
flat angles P-C4'-P energy: -66.388
tors. eta vs tors. theta energy: -121.979
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: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1506.637529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.637529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.637529 (E_RNA)
where:
Base-Base interactions energy: -1036.895
where: short stacking energy: -419.244
Base-Backbone interact. energy: 1.231
local terms energy: -470.973052
where:
bonds (distance) C4'-P energy: -103.427
bonds (distance) P-C4' energy: -85.027
flat angles C4'-P-C4' energy: -92.902
flat angles P-C4'-P energy: -71.022
tors. eta vs tors. theta energy: -118.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1364.515734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.515734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.515734 (E_RNA)
where:
Base-Base interactions energy: -960.175
where: short stacking energy: -443.505
Base-Backbone interact. energy: 2.227
local terms energy: -406.567136
where:
bonds (distance) C4'-P energy: -64.982
bonds (distance) P-C4' energy: -72.538
flat angles C4'-P-C4' energy: -96.379
flat angles P-C4'-P energy: -63.399
tors. eta vs tors. theta energy: -109.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1200.172624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.172624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.172624 (E_RNA)
where:
Base-Base interactions energy: -791.422
where: short stacking energy: -343.292
Base-Backbone interact. energy: -0.410
local terms energy: -408.340310
where:
bonds (distance) C4'-P energy: -87.838
bonds (distance) P-C4' energy: -81.320
flat angles C4'-P-C4' energy: -100.963
flat angles P-C4'-P energy: -64.341
tors. eta vs tors. theta energy: -73.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -736.893105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.893105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.893105 (E_RNA)
where:
Base-Base interactions energy: -417.575
where: short stacking energy: -206.403
Base-Backbone interact. energy: -1.164
local terms energy: -318.153801
where:
bonds (distance) C4'-P energy: -81.405
bonds (distance) P-C4' energy: -99.669
flat angles C4'-P-C4' energy: -69.773
flat angles P-C4'-P energy: -58.667
tors. eta vs tors. theta energy: -8.640
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: 476
Temperature: 1.350000
Total energy: -562.396157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.396157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.396157 (E_RNA)
where:
Base-Base interactions energy: -269.336
where: short stacking energy: -181.121
Base-Backbone interact. energy: -1.020
local terms energy: -292.039952
where:
bonds (distance) C4'-P energy: -88.623
bonds (distance) P-C4' energy: -80.567
flat angles C4'-P-C4' energy: -89.344
flat angles P-C4'-P energy: -31.218
tors. eta vs tors. theta energy: -2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1877.584903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.584903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.584903 (E_RNA)
where:
Base-Base interactions energy: -1313.736
where: short stacking energy: -544.537
Base-Backbone interact. energy: -1.497
local terms energy: -562.352197
where:
bonds (distance) C4'-P energy: -96.999
bonds (distance) P-C4' energy: -105.712
flat angles C4'-P-C4' energy: -109.343
flat angles P-C4'-P energy: -95.029
tors. eta vs tors. theta energy: -155.270
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: 477
Temperature: 0.950000
Total energy: -1766.218312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.218312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.218312 (E_RNA)
where:
Base-Base interactions energy: -1223.878
where: short stacking energy: -504.760
Base-Backbone interact. energy: 0.387
local terms energy: -542.727876
where:
bonds (distance) C4'-P energy: -112.259
bonds (distance) P-C4' energy: -101.806
flat angles C4'-P-C4' energy: -116.852
flat angles P-C4'-P energy: -69.891
tors. eta vs tors. theta energy: -141.921
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: 3, replica: 3
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1740.540724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.540724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.540724 (E_RNA)
where:
Base-Base interactions energy: -1239.142
where: short stacking energy: -503.419
Base-Backbone interact. energy: -0.510
local terms energy: -500.888054
where:
bonds (distance) C4'-P energy: -96.707
bonds (distance) P-C4' energy: -98.630
flat angles C4'-P-C4' energy: -104.898
flat angles P-C4'-P energy: -76.415
tors. eta vs tors. theta energy: -124.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1642.830671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.830671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.830671 (E_RNA)
where:
Base-Base interactions energy: -1160.909
where: short stacking energy: -475.567
Base-Backbone interact. energy: 0.189
local terms energy: -482.110374
where:
bonds (distance) C4'-P energy: -82.392
bonds (distance) P-C4' energy: -107.163
flat angles C4'-P-C4' energy: -114.732
flat angles P-C4'-P energy: -63.379
tors. eta vs tors. theta energy: -114.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1549.655275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.655275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.655275 (E_RNA)
where:
Base-Base interactions energy: -1071.596
where: short stacking energy: -460.650
Base-Backbone interact. energy: -0.661
local terms energy: -477.397747
where:
bonds (distance) C4'-P energy: -92.681
bonds (distance) P-C4' energy: -92.931
flat angles C4'-P-C4' energy: -102.195
flat angles P-C4'-P energy: -67.596
tors. eta vs tors. theta energy: -121.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1480.077843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.077843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.077843 (E_RNA)
where:
Base-Base interactions energy: -1026.679
where: short stacking energy: -465.291
Base-Backbone interact. energy: -3.045
local terms energy: -450.353494
where:
bonds (distance) C4'-P energy: -81.348
bonds (distance) P-C4' energy: -80.469
flat angles C4'-P-C4' energy: -97.463
flat angles P-C4'-P energy: -65.493
tors. eta vs tors. theta energy: -125.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1373.782116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.782116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.782116 (E_RNA)
where:
Base-Base interactions energy: -938.328
where: short stacking energy: -400.772
Base-Backbone interact. energy: -2.676
local terms energy: -432.778037
where:
bonds (distance) C4'-P energy: -75.043
bonds (distance) P-C4' energy: -89.203
flat angles C4'-P-C4' energy: -100.160
flat angles P-C4'-P energy: -65.913
tors. eta vs tors. theta energy: -102.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1186.918329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.918329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.918329 (E_RNA)
where:
Base-Base interactions energy: -788.367
where: short stacking energy: -338.507
Base-Backbone interact. energy: 2.315
local terms energy: -400.865916
where:
bonds (distance) C4'-P energy: -95.498
bonds (distance) P-C4' energy: -81.735
flat angles C4'-P-C4' energy: -94.132
flat angles P-C4'-P energy: -54.307
tors. eta vs tors. theta energy: -75.194
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: 9
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -730.481156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.481156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.481156 (E_RNA)
where:
Base-Base interactions energy: -419.026
where: short stacking energy: -202.283
Base-Backbone interact. energy: 10.792
local terms energy: -322.247658
where:
bonds (distance) C4'-P energy: -87.155
bonds (distance) P-C4' energy: -109.608
flat angles C4'-P-C4' energy: -67.752
flat angles P-C4'-P energy: -48.696
tors. eta vs tors. theta energy: -9.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -544.926286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.926286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.926286 (E_RNA)
where:
Base-Base interactions energy: -229.113
where: short stacking energy: -135.248
Base-Backbone interact. energy: -3.582
local terms energy: -312.232010
where:
bonds (distance) C4'-P energy: -89.047
bonds (distance) P-C4' energy: -97.798
flat angles C4'-P-C4' energy: -93.339
flat angles P-C4'-P energy: -46.639
tors. eta vs tors. theta energy: 14.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1881.917227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.917227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.917227 (E_RNA)
where:
Base-Base interactions energy: -1308.655
where: short stacking energy: -548.698
Base-Backbone interact. energy: -1.818
local terms energy: -571.444520
where:
bonds (distance) C4'-P energy: -109.493
bonds (distance) P-C4' energy: -104.599
flat angles C4'-P-C4' energy: -115.965
flat angles P-C4'-P energy: -82.061
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: 1
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1785.768579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.768579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.768579 (E_RNA)
where:
Base-Base interactions energy: -1248.842
where: short stacking energy: -520.314
Base-Backbone interact. energy: -3.449
local terms energy: -533.477961
where:
bonds (distance) C4'-P energy: -90.517
bonds (distance) P-C4' energy: -113.272
flat angles C4'-P-C4' energy: -107.630
flat angles P-C4'-P energy: -76.988
tors. eta vs tors. theta energy: -145.071
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: 3
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1689.314025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.314025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.314025 (E_RNA)
where:
Base-Base interactions energy: -1189.390
where: short stacking energy: -493.058
Base-Backbone interact. energy: 4.655
local terms energy: -504.579064
where:
bonds (distance) C4'-P energy: -89.219
bonds (distance) P-C4' energy: -101.299
flat angles C4'-P-C4' energy: -112.796
flat angles P-C4'-P energy: -76.854
tors. eta vs tors. theta energy: -124.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1651.750256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.750256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.750256 (E_RNA)
where:
Base-Base interactions energy: -1126.628
where: short stacking energy: -493.287
Base-Backbone interact. energy: -0.947
local terms energy: -524.174944
where:
bonds (distance) C4'-P energy: -100.960
bonds (distance) P-C4' energy: -101.232
flat angles C4'-P-C4' energy: -113.779
flat angles P-C4'-P energy: -79.302
tors. eta vs tors. theta energy: -128.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1522.176285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.176285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.176285 (E_RNA)
where:
Base-Base interactions energy: -1040.071
where: short stacking energy: -436.077
Base-Backbone interact. energy: -1.182
local terms energy: -480.922871
where:
bonds (distance) C4'-P energy: -96.134
bonds (distance) P-C4' energy: -99.144
flat angles C4'-P-C4' energy: -106.199
flat angles P-C4'-P energy: -67.082
tors. eta vs tors. theta energy: -112.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1453.879319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.879319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.879319 (E_RNA)
where:
Base-Base interactions energy: -1003.939
where: short stacking energy: -421.057
Base-Backbone interact. energy: -0.135
local terms energy: -449.804721
where:
bonds (distance) C4'-P energy: -86.559
bonds (distance) P-C4' energy: -74.589
flat angles C4'-P-C4' energy: -110.590
flat angles P-C4'-P energy: -61.574
tors. eta vs tors. theta energy: -116.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1368.666424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.666424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.666424 (E_RNA)
where:
Base-Base interactions energy: -923.286
where: short stacking energy: -414.858
Base-Backbone interact. energy: -1.598
local terms energy: -443.782189
where:
bonds (distance) C4'-P energy: -95.110
bonds (distance) P-C4' energy: -86.587
flat angles C4'-P-C4' energy: -88.056
flat angles P-C4'-P energy: -59.581
tors. eta vs tors. theta energy: -114.448
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: 7
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1186.441035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.441035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.441035 (E_RNA)
where:
Base-Base interactions energy: -779.990
where: short stacking energy: -320.038
Base-Backbone interact. energy: -0.042
local terms energy: -406.409440
where:
bonds (distance) C4'-P energy: -90.271
bonds (distance) P-C4' energy: -103.152
flat angles C4'-P-C4' energy: -95.489
flat angles P-C4'-P energy: -42.467
tors. eta vs tors. theta energy: -75.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -752.266515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.266515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.266515 (E_RNA)
where:
Base-Base interactions energy: -441.341
where: short stacking energy: -228.440
Base-Backbone interact. energy: 6.322
local terms energy: -317.248128
where:
bonds (distance) C4'-P energy: -85.820
bonds (distance) P-C4' energy: -75.834
flat angles C4'-P-C4' energy: -90.114
flat angles P-C4'-P energy: -50.173
tors. eta vs tors. theta energy: -15.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -519.075253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.075253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.075253 (E_RNA)
where:
Base-Base interactions energy: -246.328
where: short stacking energy: -161.034
Base-Backbone interact. energy: 0.367
local terms energy: -273.114040
where:
bonds (distance) C4'-P energy: -89.420
bonds (distance) P-C4' energy: -80.195
flat angles C4'-P-C4' energy: -68.542
flat angles P-C4'-P energy: -23.921
tors. eta vs tors. theta energy: -11.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1858.453056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.453056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.453056 (E_RNA)
where:
Base-Base interactions energy: -1300.261
where: short stacking energy: -527.604
Base-Backbone interact. energy: -3.154
local terms energy: -555.038058
where:
bonds (distance) C4'-P energy: -100.126
bonds (distance) P-C4' energy: -110.129
flat angles C4'-P-C4' energy: -112.401
flat angles P-C4'-P energy: -93.138
tors. eta vs tors. theta energy: -139.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1776.712640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.712640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.712640 (E_RNA)
where:
Base-Base interactions energy: -1232.547
where: short stacking energy: -519.390
Base-Backbone interact. energy: -3.240
local terms energy: -540.925441
where:
bonds (distance) C4'-P energy: -86.297
bonds (distance) P-C4' energy: -114.073
flat angles C4'-P-C4' energy: -116.956
flat angles P-C4'-P energy: -83.480
tors. eta vs tors. theta energy: -140.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1698.723946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.723946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.723946 (E_RNA)
where:
Base-Base interactions energy: -1177.330
where: short stacking energy: -493.497
Base-Backbone interact. energy: 1.844
local terms energy: -523.237710
where:
bonds (distance) C4'-P energy: -87.482
bonds (distance) P-C4' energy: -107.169
flat angles C4'-P-C4' energy: -116.751
flat angles P-C4'-P energy: -80.946
tors. eta vs tors. theta energy: -130.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1635.977036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.977036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.977036 (E_RNA)
where:
Base-Base interactions energy: -1124.462
where: short stacking energy: -474.983
Base-Backbone interact. energy: -2.556
local terms energy: -508.958795
where:
bonds (distance) C4'-P energy: -109.411
bonds (distance) P-C4' energy: -104.880
flat angles C4'-P-C4' energy: -108.678
flat angles P-C4'-P energy: -61.881
tors. eta vs tors. theta energy: -124.109
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: 6
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1529.365426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.365426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.365426 (E_RNA)
where:
Base-Base interactions energy: -1056.979
where: short stacking energy: -438.097
Base-Backbone interact. energy: -1.231
local terms energy: -471.155434
where:
bonds (distance) C4'-P energy: -85.050
bonds (distance) P-C4' energy: -102.494
flat angles C4'-P-C4' energy: -115.152
flat angles P-C4'-P energy: -57.515
tors. eta vs tors. theta energy: -110.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1443.398962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.398962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.398962 (E_RNA)
where:
Base-Base interactions energy: -977.200
where: short stacking energy: -426.009
Base-Backbone interact. energy: -3.107
local terms energy: -463.091981
where:
bonds (distance) C4'-P energy: -108.646
bonds (distance) P-C4' energy: -85.284
flat angles C4'-P-C4' energy: -107.137
flat angles P-C4'-P energy: -63.291
tors. eta vs tors. theta energy: -98.734
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: 4
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1399.025475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.025475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.025475 (E_RNA)
where:
Base-Base interactions energy: -970.916
where: short stacking energy: -411.072
Base-Backbone interact. energy: 0.066
local terms energy: -428.176019
where:
bonds (distance) C4'-P energy: -83.544
bonds (distance) P-C4' energy: -92.053
flat angles C4'-P-C4' energy: -91.132
flat angles P-C4'-P energy: -62.787
tors. eta vs tors. theta energy: -98.660
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: 7
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1196.191932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.191932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.191932 (E_RNA)
where:
Base-Base interactions energy: -782.066
where: short stacking energy: -348.186
Base-Backbone interact. energy: -2.604
local terms energy: -411.521656
where:
bonds (distance) C4'-P energy: -90.561
bonds (distance) P-C4' energy: -82.183
flat angles C4'-P-C4' energy: -92.865
flat angles P-C4'-P energy: -58.993
tors. eta vs tors. theta energy: -86.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -758.148751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.148751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.148751 (E_RNA)
where:
Base-Base interactions energy: -438.649
where: short stacking energy: -225.628
Base-Backbone interact. energy: -0.794
local terms energy: -318.706373
where:
bonds (distance) C4'-P energy: -78.112
bonds (distance) P-C4' energy: -92.579
flat angles C4'-P-C4' energy: -89.536
flat angles P-C4'-P energy: -39.007
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -488.587788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.587788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.587788 (E_RNA)
where:
Base-Base interactions energy: -233.166
where: short stacking energy: -136.423
Base-Backbone interact. energy: 2.185
local terms energy: -257.606716
where:
bonds (distance) C4'-P energy: -87.814
bonds (distance) P-C4' energy: -84.221
flat angles C4'-P-C4' energy: -63.669
flat angles P-C4'-P energy: -38.037
tors. eta vs tors. theta energy: 16.135
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: 480
Temperature: 0.900000
Total energy: -1861.456183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.456183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.456183 (E_RNA)
where:
Base-Base interactions energy: -1314.199
where: short stacking energy: -538.128
Base-Backbone interact. energy: 0.068
local terms energy: -547.324641
where:
bonds (distance) C4'-P energy: -113.578
bonds (distance) P-C4' energy: -94.659
flat angles C4'-P-C4' energy: -109.282
flat angles P-C4'-P energy: -78.436
tors. eta vs tors. theta energy: -151.369
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: 2, replica: 1
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1751.494669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.494669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.494669 (E_RNA)
where:
Base-Base interactions energy: -1214.120
where: short stacking energy: -490.684
Base-Backbone interact. energy: 0.627
local terms energy: -538.001790
where:
bonds (distance) C4'-P energy: -103.859
bonds (distance) P-C4' energy: -104.654
flat angles C4'-P-C4' energy: -107.741
flat angles P-C4'-P energy: -75.536
tors. eta vs tors. theta energy: -146.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1718.436626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.436626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.436626 (E_RNA)
where:
Base-Base interactions energy: -1224.936
where: short stacking energy: -498.747
Base-Backbone interact. energy: 2.685
local terms energy: -496.185372
where:
bonds (distance) C4'-P energy: -85.475
bonds (distance) P-C4' energy: -92.916
flat angles C4'-P-C4' energy: -123.101
flat angles P-C4'-P energy: -73.812
tors. eta vs tors. theta energy: -120.881
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: 4, replica: 5
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1628.321940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.321940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.321940 (E_RNA)
where:
Base-Base interactions energy: -1109.495
where: short stacking energy: -468.871
Base-Backbone interact. energy: 1.083
local terms energy: -519.910214
where:
bonds (distance) C4'-P energy: -107.029
bonds (distance) P-C4' energy: -103.264
flat angles C4'-P-C4' energy: -108.655
flat angles P-C4'-P energy: -67.107
tors. eta vs tors. theta energy: -133.854
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: 6
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1524.837952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.837952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.837952 (E_RNA)
where:
Base-Base interactions energy: -1063.727
where: short stacking energy: -444.850
Base-Backbone interact. energy: -1.759
local terms energy: -459.351345
where:
bonds (distance) C4'-P energy: -84.228
bonds (distance) P-C4' energy: -81.987
flat angles C4'-P-C4' energy: -114.492
flat angles P-C4'-P energy: -64.560
tors. eta vs tors. theta energy: -114.084
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: 8
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1491.232680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.232680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.232680 (E_RNA)
where:
Base-Base interactions energy: -1024.644
where: short stacking energy: -448.559
Base-Backbone interact. energy: 2.035
local terms energy: -468.623150
where:
bonds (distance) C4'-P energy: -93.935
bonds (distance) P-C4' energy: -86.467
flat angles C4'-P-C4' energy: -98.032
flat angles P-C4'-P energy: -66.018
tors. eta vs tors. theta energy: -124.171
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: 4
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1415.549902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.549902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.549902 (E_RNA)
where:
Base-Base interactions energy: -970.146
where: short stacking energy: -395.454
Base-Backbone interact. energy: -2.094
local terms energy: -443.309519
where:
bonds (distance) C4'-P energy: -70.306
bonds (distance) P-C4' energy: -101.403
flat angles C4'-P-C4' energy: -110.926
flat angles P-C4'-P energy: -62.989
tors. eta vs tors. theta energy: -97.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1222.258162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.258162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.258162 (E_RNA)
where:
Base-Base interactions energy: -821.136
where: short stacking energy: -337.243
Base-Backbone interact. energy: 2.327
local terms energy: -403.448451
where:
bonds (distance) C4'-P energy: -75.408
bonds (distance) P-C4' energy: -100.272
flat angles C4'-P-C4' energy: -98.350
flat angles P-C4'-P energy: -53.813
tors. eta vs tors. theta energy: -75.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -747.578169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.578169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.578169 (E_RNA)
where:
Base-Base interactions energy: -414.333
where: short stacking energy: -218.229
Base-Backbone interact. energy: 1.032
local terms energy: -334.276634
where:
bonds (distance) C4'-P energy: -88.651
bonds (distance) P-C4' energy: -95.213
flat angles C4'-P-C4' energy: -77.200
flat angles P-C4'-P energy: -57.772
tors. eta vs tors. theta energy: -15.441
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: 480
Temperature: 1.350000
Total energy: -510.755922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.755922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.755922 (E_RNA)
where:
Base-Base interactions energy: -227.819
where: short stacking energy: -121.899
Base-Backbone interact. energy: 0.178
local terms energy: -283.115527
where:
bonds (distance) C4'-P energy: -80.081
bonds (distance) P-C4' energy: -77.295
flat angles C4'-P-C4' energy: -75.756
flat angles P-C4'-P energy: -61.050
tors. eta vs tors. theta energy: 11.067
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: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1857.470994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.470994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.470994 (E_RNA)
where:
Base-Base interactions energy: -1289.946
where: short stacking energy: -549.620
Base-Backbone interact. energy: -0.853
local terms energy: -566.671361
where:
bonds (distance) C4'-P energy: -98.898
bonds (distance) P-C4' energy: -107.331
flat angles C4'-P-C4' energy: -116.749
flat angles P-C4'-P energy: -86.361
tors. eta vs tors. theta energy: -157.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1774.553529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.553529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.553529 (E_RNA)
where:
Base-Base interactions energy: -1239.488
where: short stacking energy: -516.718
Base-Backbone interact. energy: -2.284
local terms energy: -532.780793
where:
bonds (distance) C4'-P energy: -97.396
bonds (distance) P-C4' energy: -99.693
flat angles C4'-P-C4' energy: -115.702
flat angles P-C4'-P energy: -81.687
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: 3, replica: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1721.484131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.484131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.484131 (E_RNA)
where:
Base-Base interactions energy: -1200.765
where: short stacking energy: -504.673
Base-Backbone interact. energy: -2.743
local terms energy: -517.976616
where:
bonds (distance) C4'-P energy: -94.241
bonds (distance) P-C4' energy: -97.827
flat angles C4'-P-C4' energy: -118.747
flat angles P-C4'-P energy: -76.785
tors. eta vs tors. theta energy: -130.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1647.255755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.255755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.255755 (E_RNA)
where:
Base-Base interactions energy: -1129.685
where: short stacking energy: -488.678
Base-Backbone interact. energy: -2.390
local terms energy: -515.180151
where:
bonds (distance) C4'-P energy: -82.458
bonds (distance) P-C4' energy: -100.348
flat angles C4'-P-C4' energy: -111.186
flat angles P-C4'-P energy: -81.855
tors. eta vs tors. theta energy: -139.333
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: 5, replica: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1560.536804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.536804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.536804 (E_RNA)
where:
Base-Base interactions energy: -1076.085
where: short stacking energy: -474.872
Base-Backbone interact. energy: -1.627
local terms energy: -482.824649
where:
bonds (distance) C4'-P energy: -85.609
bonds (distance) P-C4' energy: -96.179
flat angles C4'-P-C4' energy: -104.026
flat angles P-C4'-P energy: -66.833
tors. eta vs tors. theta energy: -130.178
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: 6, replica: 8
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1427.998915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.998915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.998915 (E_RNA)
where:
Base-Base interactions energy: -938.081
where: short stacking energy: -413.493
Base-Backbone interact. energy: -0.597
local terms energy: -489.321040
where:
bonds (distance) C4'-P energy: -87.079
bonds (distance) P-C4' energy: -105.932
flat angles C4'-P-C4' energy: -107.619
flat angles P-C4'-P energy: -71.866
tors. eta vs tors. theta energy: -116.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1371.782498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.782498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.782498 (E_RNA)
where:
Base-Base interactions energy: -946.947
where: short stacking energy: -399.025
Base-Backbone interact. energy: -0.879
local terms energy: -423.956238
where:
bonds (distance) C4'-P energy: -71.611
bonds (distance) P-C4' energy: -96.855
flat angles C4'-P-C4' energy: -90.466
flat angles P-C4'-P energy: -64.615
tors. eta vs tors. theta energy: -100.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1182.709422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.709422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.709422 (E_RNA)
where:
Base-Base interactions energy: -805.182
where: short stacking energy: -330.772
Base-Backbone interact. energy: 0.279
local terms energy: -377.806199
where:
bonds (distance) C4'-P energy: -90.510
bonds (distance) P-C4' energy: -87.854
flat angles C4'-P-C4' energy: -97.257
flat angles P-C4'-P energy: -42.608
tors. eta vs tors. theta energy: -59.578
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: 9
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -738.469244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.469244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.469244 (E_RNA)
where:
Base-Base interactions energy: -415.823
where: short stacking energy: -207.760
Base-Backbone interact. energy: -2.956
local terms energy: -319.689940
where:
bonds (distance) C4'-P energy: -78.506
bonds (distance) P-C4' energy: -91.777
flat angles C4'-P-C4' energy: -85.596
flat angles P-C4'-P energy: -49.271
tors. eta vs tors. theta energy: -14.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -531.599923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.599923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.599923 (E_RNA)
where:
Base-Base interactions energy: -250.392
where: short stacking energy: -140.960
Base-Backbone interact. energy: 1.371
local terms energy: -282.579383
where:
bonds (distance) C4'-P energy: -74.093
bonds (distance) P-C4' energy: -78.962
flat angles C4'-P-C4' energy: -89.764
flat angles P-C4'-P energy: -41.487
tors. eta vs tors. theta energy: 1.726
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: 482
Temperature: 0.900000
Total energy: -1862.424068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.424068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.424068 (E_RNA)
where:
Base-Base interactions energy: -1289.669
where: short stacking energy: -562.286
Base-Backbone interact. energy: -1.702
local terms energy: -571.053581
where:
bonds (distance) C4'-P energy: -101.997
bonds (distance) P-C4' energy: -96.034
flat angles C4'-P-C4' energy: -122.955
flat angles P-C4'-P energy: -89.074
tors. eta vs tors. theta energy: -160.994
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: 2, replica: 1
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1748.879110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.879110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.879110 (E_RNA)
where:
Base-Base interactions energy: -1206.321
where: short stacking energy: -517.876
Base-Backbone interact. energy: 0.078
local terms energy: -542.635737
where:
bonds (distance) C4'-P energy: -101.312
bonds (distance) P-C4' energy: -109.662
flat angles C4'-P-C4' energy: -109.012
flat angles P-C4'-P energy: -79.867
tors. eta vs tors. theta energy: -142.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1739.450495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.450495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.450495 (E_RNA)
where:
Base-Base interactions energy: -1226.716
where: short stacking energy: -501.894
Base-Backbone interact. energy: -2.090
local terms energy: -510.644471
where:
bonds (distance) C4'-P energy: -88.198
bonds (distance) P-C4' energy: -104.148
flat angles C4'-P-C4' energy: -111.953
flat angles P-C4'-P energy: -75.902
tors. eta vs tors. theta energy: -130.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1634.910971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.910971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.910971 (E_RNA)
where:
Base-Base interactions energy: -1132.199
where: short stacking energy: -486.732
Base-Backbone interact. energy: -2.250
local terms energy: -500.461880
where:
bonds (distance) C4'-P energy: -101.604
bonds (distance) P-C4' energy: -88.553
flat angles C4'-P-C4' energy: -108.865
flat angles P-C4'-P energy: -71.279
tors. eta vs tors. theta energy: -130.161
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: 482
Temperature: 1.100000
Total energy: -1481.197533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.197533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.197533 (E_RNA)
where:
Base-Base interactions energy: -1030.093
where: short stacking energy: -455.175
Base-Backbone interact. energy: -0.820
local terms energy: -450.284478
where:
bonds (distance) C4'-P energy: -79.228
bonds (distance) P-C4' energy: -91.159
flat angles C4'-P-C4' energy: -91.686
flat angles P-C4'-P energy: -65.875
tors. eta vs tors. theta energy: -122.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1504.331625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.331625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.331625 (E_RNA)
where:
Base-Base interactions energy: -1017.267
where: short stacking energy: -423.769
Base-Backbone interact. energy: -5.156
local terms energy: -481.907972
where:
bonds (distance) C4'-P energy: -89.388
bonds (distance) P-C4' energy: -94.842
flat angles C4'-P-C4' energy: -111.745
flat angles P-C4'-P energy: -65.715
tors. eta vs tors. theta energy: -120.218
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: 4
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1335.340198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.340198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.340198 (E_RNA)
where:
Base-Base interactions energy: -893.399
where: short stacking energy: -374.724
Base-Backbone interact. energy: -0.719
local terms energy: -441.222686
where:
bonds (distance) C4'-P energy: -91.934
bonds (distance) P-C4' energy: -97.138
flat angles C4'-P-C4' energy: -102.521
flat angles P-C4'-P energy: -56.960
tors. eta vs tors. theta energy: -92.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1239.527380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.527380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.527380 (E_RNA)
where:
Base-Base interactions energy: -838.881
where: short stacking energy: -357.526
Base-Backbone interact. energy: 4.588
local terms energy: -405.234151
where:
bonds (distance) C4'-P energy: -95.532
bonds (distance) P-C4' energy: -97.826
flat angles C4'-P-C4' energy: -91.925
flat angles P-C4'-P energy: -50.888
tors. eta vs tors. theta energy: -69.063
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: 9
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -759.140266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.140266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.140266 (E_RNA)
where:
Base-Base interactions energy: -407.798
where: short stacking energy: -221.241
Base-Backbone interact. energy: 0.777
local terms energy: -352.119553
where:
bonds (distance) C4'-P energy: -89.625
bonds (distance) P-C4' energy: -99.786
flat angles C4'-P-C4' energy: -79.360
flat angles P-C4'-P energy: -59.524
tors. eta vs tors. theta energy: -23.825
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: 482
Temperature: 1.350000
Total energy: -553.482809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.482809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.482809 (E_RNA)
where:
Base-Base interactions energy: -273.359
where: short stacking energy: -175.539
Base-Backbone interact. energy: 3.212
local terms energy: -283.335825
where:
bonds (distance) C4'-P energy: -94.569
bonds (distance) P-C4' energy: -84.881
flat angles C4'-P-C4' energy: -66.792
flat angles P-C4'-P energy: -34.843
tors. eta vs tors. theta energy: -2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1872.012461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.012461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.012461 (E_RNA)
where:
Base-Base interactions energy: -1308.179
where: short stacking energy: -571.155
Base-Backbone interact. energy: 0.871
local terms energy: -564.704554
where:
bonds (distance) C4'-P energy: -106.008
bonds (distance) P-C4' energy: -109.480
flat angles C4'-P-C4' energy: -107.729
flat angles P-C4'-P energy: -91.290
tors. eta vs tors. theta energy: -150.197
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: 3
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1771.017908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.017908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.017908 (E_RNA)
where:
Base-Base interactions energy: -1250.893
where: short stacking energy: -506.482
Base-Backbone interact. energy: 2.055
local terms energy: -522.179875
where:
bonds (distance) C4'-P energy: -101.135
bonds (distance) P-C4' energy: -92.530
flat angles C4'-P-C4' energy: -118.939
flat angles P-C4'-P energy: -76.628
tors. eta vs tors. theta energy: -132.948
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: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1729.397866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.397866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.397866 (E_RNA)
where:
Base-Base interactions energy: -1188.771
where: short stacking energy: -512.553
Base-Backbone interact. energy: -1.653
local terms energy: -538.974054
where:
bonds (distance) C4'-P energy: -103.986
bonds (distance) P-C4' energy: -98.415
flat angles C4'-P-C4' energy: -113.674
flat angles P-C4'-P energy: -81.792
tors. eta vs tors. theta energy: -141.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1698.450054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.450054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.450054 (E_RNA)
where:
Base-Base interactions energy: -1179.754
where: short stacking energy: -493.120
Base-Backbone interact. energy: -1.382
local terms energy: -517.314432
where:
bonds (distance) C4'-P energy: -93.660
bonds (distance) P-C4' energy: -96.797
flat angles C4'-P-C4' energy: -110.796
flat angles P-C4'-P energy: -76.792
tors. eta vs tors. theta energy: -139.270
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: 483
Temperature: 1.100000
Total energy: -1496.021055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.021055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.021055 (E_RNA)
where:
Base-Base interactions energy: -1005.383
where: short stacking energy: -447.383
Base-Backbone interact. energy: -1.562
local terms energy: -489.075927
where:
bonds (distance) C4'-P energy: -88.724
bonds (distance) P-C4' energy: -101.903
flat angles C4'-P-C4' energy: -111.637
flat angles P-C4'-P energy: -71.143
tors. eta vs tors. theta energy: -115.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1512.474709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.474709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.474709 (E_RNA)
where:
Base-Base interactions energy: -1033.239
where: short stacking energy: -426.960
Base-Backbone interact. energy: -2.187
local terms energy: -477.047882
where:
bonds (distance) C4'-P energy: -97.236
bonds (distance) P-C4' energy: -104.457
flat angles C4'-P-C4' energy: -93.201
flat angles P-C4'-P energy: -71.708
tors. eta vs tors. theta energy: -110.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1409.726366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.726366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.726366 (E_RNA)
where:
Base-Base interactions energy: -958.354
where: short stacking energy: -378.885
Base-Backbone interact. energy: -0.010
local terms energy: -451.362177
where:
bonds (distance) C4'-P energy: -93.790
bonds (distance) P-C4' energy: -82.736
flat angles C4'-P-C4' energy: -97.041
flat angles P-C4'-P energy: -79.022
tors. eta vs tors. theta energy: -98.772
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: 7
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1186.838053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.838053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.838053 (E_RNA)
where:
Base-Base interactions energy: -792.840
where: short stacking energy: -337.455
Base-Backbone interact. energy: -1.633
local terms energy: -392.364675
where:
bonds (distance) C4'-P energy: -77.875
bonds (distance) P-C4' energy: -97.091
flat angles C4'-P-C4' energy: -90.424
flat angles P-C4'-P energy: -55.090
tors. eta vs tors. theta energy: -71.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -729.495771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.495771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.495771 (E_RNA)
where:
Base-Base interactions energy: -400.163
where: short stacking energy: -206.085
Base-Backbone interact. energy: -0.848
local terms energy: -328.484781
where:
bonds (distance) C4'-P energy: -82.376
bonds (distance) P-C4' energy: -95.506
flat angles C4'-P-C4' energy: -93.225
flat angles P-C4'-P energy: -45.085
tors. eta vs tors. theta energy: -12.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -505.173039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.173039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.173039 (E_RNA)
where:
Base-Base interactions energy: -221.596
where: short stacking energy: -150.776
Base-Backbone interact. energy: -2.045
local terms energy: -281.531748
where:
bonds (distance) C4'-P energy: -75.020
bonds (distance) P-C4' energy: -96.026
flat angles C4'-P-C4' energy: -61.106
flat angles P-C4'-P energy: -45.854
tors. eta vs tors. theta energy: -3.526
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: 2
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1867.698349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.698349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.698349 (E_RNA)
where:
Base-Base interactions energy: -1284.190
where: short stacking energy: -528.740
Base-Backbone interact. energy: -3.269
local terms energy: -580.240128
where:
bonds (distance) C4'-P energy: -106.795
bonds (distance) P-C4' energy: -114.772
flat angles C4'-P-C4' energy: -117.380
flat angles P-C4'-P energy: -83.573
tors. eta vs tors. theta energy: -157.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1777.771776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.771776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.771776 (E_RNA)
where:
Base-Base interactions energy: -1253.839
where: short stacking energy: -524.039
Base-Backbone interact. energy: -3.356
local terms energy: -520.577062
where:
bonds (distance) C4'-P energy: -97.951
bonds (distance) P-C4' energy: -89.258
flat angles C4'-P-C4' energy: -116.230
flat angles P-C4'-P energy: -72.653
tors. eta vs tors. theta energy: -144.485
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: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1766.107765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.107765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.107765 (E_RNA)
where:
Base-Base interactions energy: -1216.414
where: short stacking energy: -516.638
Base-Backbone interact. energy: -1.838
local terms energy: -547.855767
where:
bonds (distance) C4'-P energy: -104.825
bonds (distance) P-C4' energy: -97.260
flat angles C4'-P-C4' energy: -116.632
flat angles P-C4'-P energy: -77.642
tors. eta vs tors. theta energy: -151.497
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: 5
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1658.419841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.419841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.419841 (E_RNA)
where:
Base-Base interactions energy: -1164.667
where: short stacking energy: -482.617
Base-Backbone interact. energy: -3.829
local terms energy: -489.924760
where:
bonds (distance) C4'-P energy: -90.569
bonds (distance) P-C4' energy: -94.160
flat angles C4'-P-C4' energy: -102.021
flat angles P-C4'-P energy: -77.535
tors. eta vs tors. theta energy: -125.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1570.858549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.858549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.858549 (E_RNA)
where:
Base-Base interactions energy: -1088.849
where: short stacking energy: -460.905
Base-Backbone interact. energy: -0.959
local terms energy: -481.050610
where:
bonds (distance) C4'-P energy: -102.510
bonds (distance) P-C4' energy: -80.589
flat angles C4'-P-C4' energy: -105.902
flat angles P-C4'-P energy: -66.901
tors. eta vs tors. theta energy: -125.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1414.205835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.205835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.205835 (E_RNA)
where:
Base-Base interactions energy: -966.828
where: short stacking energy: -413.970
Base-Backbone interact. energy: 5.317
local terms energy: -452.695089
where:
bonds (distance) C4'-P energy: -81.121
bonds (distance) P-C4' energy: -93.016
flat angles C4'-P-C4' energy: -106.826
flat angles P-C4'-P energy: -55.996
tors. eta vs tors. theta energy: -115.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1385.690264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.690264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.690264 (E_RNA)
where:
Base-Base interactions energy: -956.316
where: short stacking energy: -394.711
Base-Backbone interact. energy: -2.000
local terms energy: -427.374032
where:
bonds (distance) C4'-P energy: -84.219
bonds (distance) P-C4' energy: -105.857
flat angles C4'-P-C4' energy: -98.055
flat angles P-C4'-P energy: -50.573
tors. eta vs tors. theta energy: -88.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1190.007606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.007606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.007606 (E_RNA)
where:
Base-Base interactions energy: -802.812
where: short stacking energy: -351.568
Base-Backbone interact. energy: -2.677
local terms energy: -384.517972
where:
bonds (distance) C4'-P energy: -80.510
bonds (distance) P-C4' energy: -83.725
flat angles C4'-P-C4' energy: -83.717
flat angles P-C4'-P energy: -59.843
tors. eta vs tors. theta energy: -76.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -712.643528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.643528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.643528 (E_RNA)
where:
Base-Base interactions energy: -401.237
where: short stacking energy: -206.998
Base-Backbone interact. energy: -1.580
local terms energy: -309.827016
where:
bonds (distance) C4'-P energy: -81.250
bonds (distance) P-C4' energy: -81.232
flat angles C4'-P-C4' energy: -93.595
flat angles P-C4'-P energy: -38.396
tors. eta vs tors. theta energy: -15.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -537.791767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.791767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.791767 (E_RNA)
where:
Base-Base interactions energy: -250.998
where: short stacking energy: -147.972
Base-Backbone interact. energy: 0.743
local terms energy: -287.536562
where:
bonds (distance) C4'-P energy: -85.378
bonds (distance) P-C4' energy: -92.811
flat angles C4'-P-C4' energy: -76.839
flat angles P-C4'-P energy: -44.720
tors. eta vs tors. theta energy: 12.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1859.634367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.634367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.634367 (E_RNA)
where:
Base-Base interactions energy: -1295.064
where: short stacking energy: -528.844
Base-Backbone interact. energy: -2.730
local terms energy: -561.840601
where:
bonds (distance) C4'-P energy: -103.577
bonds (distance) P-C4' energy: -105.079
flat angles C4'-P-C4' energy: -116.373
flat angles P-C4'-P energy: -82.057
tors. eta vs tors. theta energy: -154.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1777.115372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.115372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.115372 (E_RNA)
where:
Base-Base interactions energy: -1248.417
where: short stacking energy: -505.667
Base-Backbone interact. energy: -2.262
local terms energy: -526.435927
where:
bonds (distance) C4'-P energy: -103.635
bonds (distance) P-C4' energy: -96.275
flat angles C4'-P-C4' energy: -116.429
flat angles P-C4'-P energy: -77.887
tors. eta vs tors. theta energy: -132.210
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: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1710.442475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.442475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.442475 (E_RNA)
where:
Base-Base interactions energy: -1176.218
where: short stacking energy: -504.511
Base-Backbone interact. energy: -0.242
local terms energy: -533.982125
where:
bonds (distance) C4'-P energy: -90.023
bonds (distance) P-C4' energy: -95.465
flat angles C4'-P-C4' energy: -124.708
flat angles P-C4'-P energy: -75.653
tors. eta vs tors. theta energy: -148.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1670.425882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.425882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.425882 (E_RNA)
where:
Base-Base interactions energy: -1126.874
where: short stacking energy: -470.332
Base-Backbone interact. energy: -3.265
local terms energy: -540.286233
where:
bonds (distance) C4'-P energy: -98.924
bonds (distance) P-C4' energy: -105.428
flat angles C4'-P-C4' energy: -122.016
flat angles P-C4'-P energy: -73.049
tors. eta vs tors. theta energy: -140.869
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: 6
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1572.019633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.019633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.019633 (E_RNA)
where:
Base-Base interactions energy: -1065.315
where: short stacking energy: -484.481
Base-Backbone interact. energy: -3.318
local terms energy: -503.386623
where:
bonds (distance) C4'-P energy: -95.948
bonds (distance) P-C4' energy: -102.047
flat angles C4'-P-C4' energy: -103.022
flat angles P-C4'-P energy: -69.327
tors. eta vs tors. theta energy: -133.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1419.769770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.769770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.769770 (E_RNA)
where:
Base-Base interactions energy: -931.316
where: short stacking energy: -425.509
Base-Backbone interact. energy: -1.890
local terms energy: -486.563726
where:
bonds (distance) C4'-P energy: -88.559
bonds (distance) P-C4' energy: -113.053
flat angles C4'-P-C4' energy: -102.695
flat angles P-C4'-P energy: -64.664
tors. eta vs tors. theta energy: -117.593
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: 7, replica: 4
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1382.210652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.210652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.210652 (E_RNA)
where:
Base-Base interactions energy: -961.995
where: short stacking energy: -408.734
Base-Backbone interact. energy: 0.619
local terms energy: -420.834659
where:
bonds (distance) C4'-P energy: -81.847
bonds (distance) P-C4' energy: -74.041
flat angles C4'-P-C4' energy: -104.104
flat angles P-C4'-P energy: -61.537
tors. eta vs tors. theta energy: -99.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1187.098807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.098807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.098807 (E_RNA)
where:
Base-Base interactions energy: -773.758
where: short stacking energy: -338.482
Base-Backbone interact. energy: -1.353
local terms energy: -411.988368
where:
bonds (distance) C4'-P energy: -85.966
bonds (distance) P-C4' energy: -96.935
flat angles C4'-P-C4' energy: -99.845
flat angles P-C4'-P energy: -64.315
tors. eta vs tors. theta energy: -64.927
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: 9
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -742.422277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.422277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.422277 (E_RNA)
where:
Base-Base interactions energy: -391.058
where: short stacking energy: -204.558
Base-Backbone interact. energy: 0.704
local terms energy: -352.068947
where:
bonds (distance) C4'-P energy: -78.990
bonds (distance) P-C4' energy: -89.008
flat angles C4'-P-C4' energy: -102.464
flat angles P-C4'-P energy: -59.524
tors. eta vs tors. theta energy: -22.083
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: 485
Temperature: 1.350000
Total energy: -564.817438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.817438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.817438 (E_RNA)
where:
Base-Base interactions energy: -240.774
where: short stacking energy: -164.239
Base-Backbone interact. energy: 1.252
local terms energy: -325.295894
where:
bonds (distance) C4'-P energy: -97.167
bonds (distance) P-C4' energy: -91.046
flat angles C4'-P-C4' energy: -73.433
flat angles P-C4'-P energy: -53.382
tors. eta vs tors. theta energy: -10.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1882.910133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.910133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.910133 (E_RNA)
where:
Base-Base interactions energy: -1320.197
where: short stacking energy: -537.278
Base-Backbone interact. energy: 3.069
local terms energy: -565.782149
where:
bonds (distance) C4'-P energy: -103.976
bonds (distance) P-C4' energy: -116.397
flat angles C4'-P-C4' energy: -118.869
flat angles P-C4'-P energy: -74.714
tors. eta vs tors. theta energy: -151.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1755.684164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.684164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.684164 (E_RNA)
where:
Base-Base interactions energy: -1221.946
where: short stacking energy: -505.178
Base-Backbone interact. energy: -2.444
local terms energy: -531.294133
where:
bonds (distance) C4'-P energy: -106.718
bonds (distance) P-C4' energy: -102.613
flat angles C4'-P-C4' energy: -116.376
flat angles P-C4'-P energy: -69.013
tors. eta vs tors. theta energy: -136.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1716.958811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.958811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.958811 (E_RNA)
where:
Base-Base interactions energy: -1199.079
where: short stacking energy: -485.916
Base-Backbone interact. energy: -1.082
local terms energy: -516.798570
where:
bonds (distance) C4'-P energy: -89.256
bonds (distance) P-C4' energy: -98.986
flat angles C4'-P-C4' energy: -112.329
flat angles P-C4'-P energy: -69.824
tors. eta vs tors. theta energy: -146.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1687.594099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.594099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.594099 (E_RNA)
where:
Base-Base interactions energy: -1218.253
where: short stacking energy: -491.403
Base-Backbone interact. energy: 3.172
local terms energy: -472.513577
where:
bonds (distance) C4'-P energy: -90.255
bonds (distance) P-C4' energy: -83.519
flat angles C4'-P-C4' energy: -99.354
flat angles P-C4'-P energy: -67.165
tors. eta vs tors. theta energy: -132.220
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: 6
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1592.784565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.784565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.784565 (E_RNA)
where:
Base-Base interactions energy: -1077.235
where: short stacking energy: -470.871
Base-Backbone interact. energy: -0.390
local terms energy: -515.159215
where:
bonds (distance) C4'-P energy: -101.526
bonds (distance) P-C4' energy: -102.267
flat angles C4'-P-C4' energy: -106.314
flat angles P-C4'-P energy: -63.632
tors. eta vs tors. theta energy: -141.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1426.910267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.910267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.910267 (E_RNA)
where:
Base-Base interactions energy: -958.911
where: short stacking energy: -420.867
Base-Backbone interact. energy: 0.004
local terms energy: -468.003721
where:
bonds (distance) C4'-P energy: -87.390
bonds (distance) P-C4' energy: -88.732
flat angles C4'-P-C4' energy: -105.954
flat angles P-C4'-P energy: -77.463
tors. eta vs tors. theta energy: -108.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1342.025162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.025162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.025162 (E_RNA)
where:
Base-Base interactions energy: -928.768
where: short stacking energy: -369.870
Base-Backbone interact. energy: 4.987
local terms energy: -418.244555
where:
bonds (distance) C4'-P energy: -75.947
bonds (distance) P-C4' energy: -84.049
flat angles C4'-P-C4' energy: -96.604
flat angles P-C4'-P energy: -65.452
tors. eta vs tors. theta energy: -96.193
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: 7
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1202.777790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.777790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.777790 (E_RNA)
where:
Base-Base interactions energy: -797.716
where: short stacking energy: -338.563
Base-Backbone interact. energy: -1.620
local terms energy: -403.441713
where:
bonds (distance) C4'-P energy: -80.606
bonds (distance) P-C4' energy: -95.304
flat angles C4'-P-C4' energy: -100.295
flat angles P-C4'-P energy: -53.014
tors. eta vs tors. theta energy: -74.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -689.501223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.501223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.501223 (E_RNA)
where:
Base-Base interactions energy: -373.401
where: short stacking energy: -157.150
Base-Backbone interact. energy: 5.511
local terms energy: -321.611634
where:
bonds (distance) C4'-P energy: -88.716
bonds (distance) P-C4' energy: -97.187
flat angles C4'-P-C4' energy: -84.858
flat angles P-C4'-P energy: -49.993
tors. eta vs tors. theta energy: -0.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -530.264277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.264277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.264277 (E_RNA)
where:
Base-Base interactions energy: -239.798
where: short stacking energy: -144.890
Base-Backbone interact. energy: -1.786
local terms energy: -288.680631
where:
bonds (distance) C4'-P energy: -90.309
bonds (distance) P-C4' energy: -88.173
flat angles C4'-P-C4' energy: -76.969
flat angles P-C4'-P energy: -47.314
tors. eta vs tors. theta energy: 14.085
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: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1867.295501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.295501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.295501 (E_RNA)
where:
Base-Base interactions energy: -1311.136
where: short stacking energy: -537.649
Base-Backbone interact. energy: -1.661
local terms energy: -554.497774
where:
bonds (distance) C4'-P energy: -101.140
bonds (distance) P-C4' energy: -93.737
flat angles C4'-P-C4' energy: -127.178
flat angles P-C4'-P energy: -79.979
tors. eta vs tors. theta energy: -152.464
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: 3
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1776.351486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.351486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.351486 (E_RNA)
where:
Base-Base interactions energy: -1218.035
where: short stacking energy: -523.039
Base-Backbone interact. energy: 0.104
local terms energy: -558.420630
where:
bonds (distance) C4'-P energy: -101.333
bonds (distance) P-C4' energy: -111.684
flat angles C4'-P-C4' energy: -122.776
flat angles P-C4'-P energy: -78.589
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: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1722.868795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.868795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.868795 (E_RNA)
where:
Base-Base interactions energy: -1179.821
where: short stacking energy: -507.406
Base-Backbone interact. energy: -1.105
local terms energy: -541.943454
where:
bonds (distance) C4'-P energy: -110.739
bonds (distance) P-C4' energy: -93.029
flat angles C4'-P-C4' energy: -123.540
flat angles P-C4'-P energy: -76.562
tors. eta vs tors. theta energy: -138.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -1669.232855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.232855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.232855 (E_RNA)
where:
Base-Base interactions energy: -1160.460
where: short stacking energy: -493.632
Base-Backbone interact. energy: -0.726
local terms energy: -508.046887
where:
bonds (distance) C4'-P energy: -85.870
bonds (distance) P-C4' energy: -100.592
flat angles C4'-P-C4' energy: -109.182
flat angles P-C4'-P energy: -71.902
tors. eta vs tors. theta energy: -140.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1606.620172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.620172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.620172 (E_RNA)
where:
Base-Base interactions energy: -1123.100
where: short stacking energy: -481.450
Base-Backbone interact. energy: -4.340
local terms energy: -479.180119
where:
bonds (distance) C4'-P energy: -95.043
bonds (distance) P-C4' energy: -88.805
flat angles C4'-P-C4' energy: -101.020
flat angles P-C4'-P energy: -61.628
tors. eta vs tors. theta energy: -132.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1374.942890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.942890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.942890 (E_RNA)
where:
Base-Base interactions energy: -935.470
where: short stacking energy: -394.670
Base-Backbone interact. energy: 0.804
local terms energy: -440.277688
where:
bonds (distance) C4'-P energy: -90.018
bonds (distance) P-C4' energy: -86.312
flat angles C4'-P-C4' energy: -101.696
flat angles P-C4'-P energy: -60.404
tors. eta vs tors. theta energy: -101.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1354.228458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.228458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.228458 (E_RNA)
where:
Base-Base interactions energy: -922.608
where: short stacking energy: -398.425
Base-Backbone interact. energy: -1.803
local terms energy: -429.816653
where:
bonds (distance) C4'-P energy: -93.574
bonds (distance) P-C4' energy: -78.154
flat angles C4'-P-C4' energy: -95.481
flat angles P-C4'-P energy: -62.059
tors. eta vs tors. theta energy: -100.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1183.700774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.700774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.700774 (E_RNA)
where:
Base-Base interactions energy: -795.562
where: short stacking energy: -341.109
Base-Backbone interact. energy: -0.931
local terms energy: -387.208410
where:
bonds (distance) C4'-P energy: -81.271
bonds (distance) P-C4' energy: -87.243
flat angles C4'-P-C4' energy: -91.382
flat angles P-C4'-P energy: -67.651
tors. eta vs tors. theta energy: -59.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -713.582009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.582009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.582009 (E_RNA)
where:
Base-Base interactions energy: -371.703
where: short stacking energy: -191.231
Base-Backbone interact. energy: 1.007
local terms energy: -342.885361
where:
bonds (distance) C4'-P energy: -89.277
bonds (distance) P-C4' energy: -92.817
flat angles C4'-P-C4' energy: -89.475
flat angles P-C4'-P energy: -61.365
tors. eta vs tors. theta energy: -9.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -672.268709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.268709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.268709 (E_RNA)
where:
Base-Base interactions energy: -396.929
where: short stacking energy: -201.551
Base-Backbone interact. energy: -1.301
local terms energy: -274.038737
where:
bonds (distance) C4'-P energy: -79.188
bonds (distance) P-C4' energy: -84.140
flat angles C4'-P-C4' energy: -81.088
flat angles P-C4'-P energy: -28.027
tors. eta vs tors. theta energy: -1.596
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: 488
Temperature: 0.900000
Total energy: -1869.917486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.917486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.917486 (E_RNA)
where:
Base-Base interactions energy: -1300.864
where: short stacking energy: -538.952
Base-Backbone interact. energy: -4.014
local terms energy: -565.039979
where:
bonds (distance) C4'-P energy: -105.968
bonds (distance) P-C4' energy: -109.714
flat angles C4'-P-C4' energy: -116.677
flat angles P-C4'-P energy: -76.503
tors. eta vs tors. theta energy: -156.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1783.590825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.590825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.590825 (E_RNA)
where:
Base-Base interactions energy: -1245.038
where: short stacking energy: -519.504
Base-Backbone interact. energy: -3.937
local terms energy: -534.616124
where:
bonds (distance) C4'-P energy: -95.852
bonds (distance) P-C4' energy: -102.755
flat angles C4'-P-C4' energy: -123.981
flat angles P-C4'-P energy: -67.177
tors. eta vs tors. theta energy: -144.852
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: 1
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1731.581257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.581257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.581257 (E_RNA)
where:
Base-Base interactions energy: -1206.955
where: short stacking energy: -515.089
Base-Backbone interact. energy: -0.918
local terms energy: -523.708664
where:
bonds (distance) C4'-P energy: -81.519
bonds (distance) P-C4' energy: -109.962
flat angles C4'-P-C4' energy: -121.490
flat angles P-C4'-P energy: -66.309
tors. eta vs tors. theta energy: -144.429
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: 5
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1673.292625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.292625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.292625 (E_RNA)
where:
Base-Base interactions energy: -1154.384
where: short stacking energy: -511.724
Base-Backbone interact. energy: 1.848
local terms energy: -520.756074
where:
bonds (distance) C4'-P energy: -101.228
bonds (distance) P-C4' energy: -88.687
flat angles C4'-P-C4' energy: -112.054
flat angles P-C4'-P energy: -74.907
tors. eta vs tors. theta energy: -143.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1630.748853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.748853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.748853 (E_RNA)
where:
Base-Base interactions energy: -1119.817
where: short stacking energy: -483.316
Base-Backbone interact. energy: -0.868
local terms energy: -510.063632
where:
bonds (distance) C4'-P energy: -91.625
bonds (distance) P-C4' energy: -97.793
flat angles C4'-P-C4' energy: -113.883
flat angles P-C4'-P energy: -70.055
tors. eta vs tors. theta energy: -136.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1421.515131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.515131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.515131 (E_RNA)
where:
Base-Base interactions energy: -974.488
where: short stacking energy: -417.720
Base-Backbone interact. energy: -0.781
local terms energy: -446.245327
where:
bonds (distance) C4'-P energy: -101.665
bonds (distance) P-C4' energy: -82.610
flat angles C4'-P-C4' energy: -88.873
flat angles P-C4'-P energy: -64.377
tors. eta vs tors. theta energy: -108.719
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: 4
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1377.107950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.107950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.107950 (E_RNA)
where:
Base-Base interactions energy: -944.705
where: short stacking energy: -423.946
Base-Backbone interact. energy: -1.511
local terms energy: -430.891388
where:
bonds (distance) C4'-P energy: -78.013
bonds (distance) P-C4' energy: -78.638
flat angles C4'-P-C4' energy: -108.101
flat angles P-C4'-P energy: -70.231
tors. eta vs tors. theta energy: -95.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1195.813202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.813202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.813202 (E_RNA)
where:
Base-Base interactions energy: -762.568
where: short stacking energy: -327.540
Base-Backbone interact. energy: 1.521
local terms energy: -434.766224
where:
bonds (distance) C4'-P energy: -82.914
bonds (distance) P-C4' energy: -100.133
flat angles C4'-P-C4' energy: -101.339
flat angles P-C4'-P energy: -60.106
tors. eta vs tors. theta energy: -90.275
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: 9
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -735.430346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.430346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.430346 (E_RNA)
where:
Base-Base interactions energy: -420.087
where: short stacking energy: -222.473
Base-Backbone interact. energy: 1.493
local terms energy: -316.836450
where:
bonds (distance) C4'-P energy: -66.978
bonds (distance) P-C4' energy: -81.133
flat angles C4'-P-C4' energy: -83.105
flat angles P-C4'-P energy: -56.727
tors. eta vs tors. theta energy: -28.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -647.302052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.302052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.302052 (E_RNA)
where:
Base-Base interactions energy: -349.915
where: short stacking energy: -192.547
Base-Backbone interact. energy: -1.989
local terms energy: -295.398218
where:
bonds (distance) C4'-P energy: -71.315
bonds (distance) P-C4' energy: -77.807
flat angles C4'-P-C4' energy: -73.592
flat angles P-C4'-P energy: -63.939
tors. eta vs tors. theta energy: -8.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1875.398147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.398147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.398147 (E_RNA)
where:
Base-Base interactions energy: -1317.161
where: short stacking energy: -542.713
Base-Backbone interact. energy: -2.695
local terms energy: -555.542372
where:
bonds (distance) C4'-P energy: -105.106
bonds (distance) P-C4' energy: -101.739
flat angles C4'-P-C4' energy: -119.616
flat angles P-C4'-P energy: -74.663
tors. eta vs tors. theta energy: -154.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1769.739479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.739479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.739479 (E_RNA)
where:
Base-Base interactions energy: -1229.027
where: short stacking energy: -494.962
Base-Backbone interact. energy: -1.217
local terms energy: -539.495439
where:
bonds (distance) C4'-P energy: -96.304
bonds (distance) P-C4' energy: -107.620
flat angles C4'-P-C4' energy: -113.621
flat angles P-C4'-P energy: -77.875
tors. eta vs tors. theta energy: -144.076
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: 3, replica: 1
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1719.845439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.845439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.845439 (E_RNA)
where:
Base-Base interactions energy: -1191.969
where: short stacking energy: -527.452
Base-Backbone interact. energy: -1.558
local terms energy: -526.318079
where:
bonds (distance) C4'-P energy: -91.972
bonds (distance) P-C4' energy: -109.427
flat angles C4'-P-C4' energy: -108.549
flat angles P-C4'-P energy: -66.192
tors. eta vs tors. theta energy: -150.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1663.692985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.692985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.692985 (E_RNA)
where:
Base-Base interactions energy: -1168.968
where: short stacking energy: -504.746
Base-Backbone interact. energy: -0.575
local terms energy: -494.149738
where:
bonds (distance) C4'-P energy: -92.821
bonds (distance) P-C4' energy: -95.045
flat angles C4'-P-C4' energy: -110.632
flat angles P-C4'-P energy: -63.810
tors. eta vs tors. theta energy: -131.841
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: 6
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1594.477524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.477524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.477524 (E_RNA)
where:
Base-Base interactions energy: -1113.324
where: short stacking energy: -446.922
Base-Backbone interact. energy: -3.329
local terms energy: -477.823930
where:
bonds (distance) C4'-P energy: -91.945
bonds (distance) P-C4' energy: -95.733
flat angles C4'-P-C4' energy: -101.479
flat angles P-C4'-P energy: -63.868
tors. eta vs tors. theta energy: -124.799
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: 8
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1409.923593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.923593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.923593 (E_RNA)
where:
Base-Base interactions energy: -955.986
where: short stacking energy: -425.276
Base-Backbone interact. energy: 3.037
local terms energy: -456.973681
where:
bonds (distance) C4'-P energy: -93.988
bonds (distance) P-C4' energy: -87.722
flat angles C4'-P-C4' energy: -103.876
flat angles P-C4'-P energy: -58.371
tors. eta vs tors. theta energy: -113.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1338.948819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.948819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.948819 (E_RNA)
where:
Base-Base interactions energy: -914.599
where: short stacking energy: -391.453
Base-Backbone interact. energy: -0.520
local terms energy: -423.829805
where:
bonds (distance) C4'-P energy: -88.076
bonds (distance) P-C4' energy: -90.519
flat angles C4'-P-C4' energy: -101.630
flat angles P-C4'-P energy: -54.908
tors. eta vs tors. theta energy: -88.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1175.139978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.139978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.139978 (E_RNA)
where:
Base-Base interactions energy: -782.081
where: short stacking energy: -327.222
Base-Backbone interact. energy: 3.341
local terms energy: -396.399614
where:
bonds (distance) C4'-P energy: -82.980
bonds (distance) P-C4' energy: -91.764
flat angles C4'-P-C4' energy: -95.501
flat angles P-C4'-P energy: -58.136
tors. eta vs tors. theta energy: -68.018
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: 9
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -753.211446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.211446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.211446 (E_RNA)
where:
Base-Base interactions energy: -442.356
where: short stacking energy: -220.657
Base-Backbone interact. energy: -2.553
local terms energy: -308.302943
where:
bonds (distance) C4'-P energy: -69.854
bonds (distance) P-C4' energy: -101.410
flat angles C4'-P-C4' energy: -69.962
flat angles P-C4'-P energy: -42.006
tors. eta vs tors. theta energy: -25.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -644.787337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.787337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.787337 (E_RNA)
where:
Base-Base interactions energy: -359.391
where: short stacking energy: -189.485
Base-Backbone interact. energy: 0.492
local terms energy: -285.889109
where:
bonds (distance) C4'-P energy: -64.344
bonds (distance) P-C4' energy: -92.663
flat angles C4'-P-C4' energy: -73.421
flat angles P-C4'-P energy: -53.994
tors. eta vs tors. theta energy: -1.468
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: 490
Temperature: 0.900000
Total energy: -1904.533702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.533702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.533702 (E_RNA)
where:
Base-Base interactions energy: -1337.792
where: short stacking energy: -537.332
Base-Backbone interact. energy: -5.227
local terms energy: -561.514341
where:
bonds (distance) C4'-P energy: -93.515
bonds (distance) P-C4' energy: -116.657
flat angles C4'-P-C4' energy: -120.869
flat angles P-C4'-P energy: -75.147
tors. eta vs tors. theta energy: -155.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1808.047611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.047611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.047611 (E_RNA)
where:
Base-Base interactions energy: -1262.637
where: short stacking energy: -516.635
Base-Backbone interact. energy: -1.546
local terms energy: -543.865031
where:
bonds (distance) C4'-P energy: -98.598
bonds (distance) P-C4' energy: -100.566
flat angles C4'-P-C4' energy: -120.725
flat angles P-C4'-P energy: -86.925
tors. eta vs tors. theta energy: -137.051
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: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1719.563866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.563866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.563866 (E_RNA)
where:
Base-Base interactions energy: -1190.897
where: short stacking energy: -477.034
Base-Backbone interact. energy: -3.114
local terms energy: -525.552432
where:
bonds (distance) C4'-P energy: -94.848
bonds (distance) P-C4' energy: -102.303
flat angles C4'-P-C4' energy: -108.081
flat angles P-C4'-P energy: -85.726
tors. eta vs tors. theta energy: -134.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1681.432224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.432224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.432224 (E_RNA)
where:
Base-Base interactions energy: -1178.478
where: short stacking energy: -500.154
Base-Backbone interact. energy: 1.990
local terms energy: -504.944090
where:
bonds (distance) C4'-P energy: -95.950
bonds (distance) P-C4' energy: -89.560
flat angles C4'-P-C4' energy: -113.136
flat angles P-C4'-P energy: -64.011
tors. eta vs tors. theta energy: -142.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1618.061901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.061901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.061901 (E_RNA)
where:
Base-Base interactions energy: -1108.044
where: short stacking energy: -468.768
Base-Backbone interact. energy: -4.179
local terms energy: -505.838720
where:
bonds (distance) C4'-P energy: -89.817
bonds (distance) P-C4' energy: -97.419
flat angles C4'-P-C4' energy: -118.438
flat angles P-C4'-P energy: -74.106
tors. eta vs tors. theta energy: -126.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1392.995528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.995528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.995528 (E_RNA)
where:
Base-Base interactions energy: -950.427
where: short stacking energy: -400.030
Base-Backbone interact. energy: -1.624
local terms energy: -440.944777
where:
bonds (distance) C4'-P energy: -80.921
bonds (distance) P-C4' energy: -79.698
flat angles C4'-P-C4' energy: -105.712
flat angles P-C4'-P energy: -73.443
tors. eta vs tors. theta energy: -101.170
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: 7, replica: 4
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1326.789906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.789906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.789906 (E_RNA)
where:
Base-Base interactions energy: -922.464
where: short stacking energy: -393.045
Base-Backbone interact. energy: -1.387
local terms energy: -402.938752
where:
bonds (distance) C4'-P energy: -71.285
bonds (distance) P-C4' energy: -84.912
flat angles C4'-P-C4' energy: -95.328
flat angles P-C4'-P energy: -55.612
tors. eta vs tors. theta energy: -95.801
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: 7
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1180.597976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.597976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.597976 (E_RNA)
where:
Base-Base interactions energy: -833.365
where: short stacking energy: -351.426
Base-Backbone interact. energy: 0.111
local terms energy: -347.344476
where:
bonds (distance) C4'-P energy: -62.918
bonds (distance) P-C4' energy: -96.207
flat angles C4'-P-C4' energy: -81.946
flat angles P-C4'-P energy: -44.118
tors. eta vs tors. theta energy: -62.155
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: 9
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -760.201401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.201401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.201401 (E_RNA)
where:
Base-Base interactions energy: -452.375
where: short stacking energy: -212.465
Base-Backbone interact. energy: 0.895
local terms energy: -308.720940
where:
bonds (distance) C4'-P energy: -78.076
bonds (distance) P-C4' energy: -92.153
flat angles C4'-P-C4' energy: -71.631
flat angles P-C4'-P energy: -45.476
tors. eta vs tors. theta energy: -21.384
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: 490
Temperature: 1.350000
Total energy: -659.893046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.893046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.893046 (E_RNA)
where:
Base-Base interactions energy: -339.814
where: short stacking energy: -204.687
Base-Backbone interact. energy: 2.720
local terms energy: -322.799065
where:
bonds (distance) C4'-P energy: -88.383
bonds (distance) P-C4' energy: -84.872
flat angles C4'-P-C4' energy: -77.559
flat angles P-C4'-P energy: -55.978
tors. eta vs tors. theta energy: -16.008
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: 2
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1871.535577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.535577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.535577 (E_RNA)
where:
Base-Base interactions energy: -1322.773
where: short stacking energy: -535.685
Base-Backbone interact. energy: -1.854
local terms energy: -546.908170
where:
bonds (distance) C4'-P energy: -88.808
bonds (distance) P-C4' energy: -111.700
flat angles C4'-P-C4' energy: -123.531
flat angles P-C4'-P energy: -68.051
tors. eta vs tors. theta energy: -154.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1777.037924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.037924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.037924 (E_RNA)
where:
Base-Base interactions energy: -1247.100
where: short stacking energy: -521.188
Base-Backbone interact. energy: 2.419
local terms energy: -532.357224
where:
bonds (distance) C4'-P energy: -95.281
bonds (distance) P-C4' energy: -95.793
flat angles C4'-P-C4' energy: -123.537
flat angles P-C4'-P energy: -79.039
tors. eta vs tors. theta energy: -138.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1687.054963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.054963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.054963 (E_RNA)
where:
Base-Base interactions energy: -1161.840
where: short stacking energy: -485.710
Base-Backbone interact. energy: -1.196
local terms energy: -524.019127
where:
bonds (distance) C4'-P energy: -98.956
bonds (distance) P-C4' energy: -104.004
flat angles C4'-P-C4' energy: -111.810
flat angles P-C4'-P energy: -79.847
tors. eta vs tors. theta energy: -129.402
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: 6
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1681.249689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.249689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.249689 (E_RNA)
where:
Base-Base interactions energy: -1165.459
where: short stacking energy: -487.984
Base-Backbone interact. energy: -2.778
local terms energy: -513.012533
where:
bonds (distance) C4'-P energy: -98.074
bonds (distance) P-C4' energy: -87.093
flat angles C4'-P-C4' energy: -118.256
flat angles P-C4'-P energy: -69.451
tors. eta vs tors. theta energy: -140.139
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: 5, replica: 1
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -1574.502186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.502186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.502186 (E_RNA)
where:
Base-Base interactions energy: -1091.428
where: short stacking energy: -441.002
Base-Backbone interact. energy: -0.820
local terms energy: -482.254723
where:
bonds (distance) C4'-P energy: -86.974
bonds (distance) P-C4' energy: -94.961
flat angles C4'-P-C4' energy: -108.747
flat angles P-C4'-P energy: -65.459
tors. eta vs tors. theta energy: -126.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1457.107194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.107194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.107194 (E_RNA)
where:
Base-Base interactions energy: -996.890
where: short stacking energy: -435.359
Base-Backbone interact. energy: -0.465
local terms energy: -459.752207
where:
bonds (distance) C4'-P energy: -93.854
bonds (distance) P-C4' energy: -96.298
flat angles C4'-P-C4' energy: -95.863
flat angles P-C4'-P energy: -47.566
tors. eta vs tors. theta energy: -126.171
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: 4
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1343.828589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.828589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.828589 (E_RNA)
where:
Base-Base interactions energy: -899.906
where: short stacking energy: -391.112
Base-Backbone interact. energy: -1.872
local terms energy: -442.051064
where:
bonds (distance) C4'-P energy: -71.478
bonds (distance) P-C4' energy: -97.591
flat angles C4'-P-C4' energy: -104.327
flat angles P-C4'-P energy: -63.726
tors. eta vs tors. theta energy: -104.930
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: 491
Temperature: 1.250000
Total energy: -1185.746893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.746893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.746893 (E_RNA)
where:
Base-Base interactions energy: -789.321
where: short stacking energy: -330.618
Base-Backbone interact. energy: -0.670
local terms energy: -395.756599
where:
bonds (distance) C4'-P energy: -95.278
bonds (distance) P-C4' energy: -74.927
flat angles C4'-P-C4' energy: -84.053
flat angles P-C4'-P energy: -57.087
tors. eta vs tors. theta energy: -84.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -758.030747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.030747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.030747 (E_RNA)
where:
Base-Base interactions energy: -439.272
where: short stacking energy: -223.730
Base-Backbone interact. energy: -0.218
local terms energy: -318.540443
where:
bonds (distance) C4'-P energy: -83.973
bonds (distance) P-C4' energy: -85.305
flat angles C4'-P-C4' energy: -87.219
flat angles P-C4'-P energy: -49.115
tors. eta vs tors. theta energy: -12.928
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: 491
Temperature: 1.350000
Total energy: -602.153213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.153213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.153213 (E_RNA)
where:
Base-Base interactions energy: -339.984
where: short stacking energy: -187.905
Base-Backbone interact. energy: 2.218
local terms energy: -264.387633
where:
bonds (distance) C4'-P energy: -87.870
bonds (distance) P-C4' energy: -78.820
flat angles C4'-P-C4' energy: -51.925
flat angles P-C4'-P energy: -47.147
tors. eta vs tors. theta energy: 1.374
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: 2
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1845.925670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.925670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.925670 (E_RNA)
where:
Base-Base interactions energy: -1279.633
where: short stacking energy: -541.547
Base-Backbone interact. energy: -0.033
local terms energy: -566.258880
where:
bonds (distance) C4'-P energy: -94.913
bonds (distance) P-C4' energy: -98.832
flat angles C4'-P-C4' energy: -115.336
flat angles P-C4'-P energy: -91.442
tors. eta vs tors. theta energy: -165.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1792.032550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.032550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.032550 (E_RNA)
where:
Base-Base interactions energy: -1228.534
where: short stacking energy: -506.090
Base-Backbone interact. energy: 0.707
local terms energy: -564.205984
where:
bonds (distance) C4'-P energy: -98.185
bonds (distance) P-C4' energy: -101.406
flat angles C4'-P-C4' energy: -126.279
flat angles P-C4'-P energy: -86.217
tors. eta vs tors. theta energy: -152.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -1701.492909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.492909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.492909 (E_RNA)
where:
Base-Base interactions energy: -1162.448
where: short stacking energy: -493.232
Base-Backbone interact. energy: -3.295
local terms energy: -535.750223
where:
bonds (distance) C4'-P energy: -106.161
bonds (distance) P-C4' energy: -98.295
flat angles C4'-P-C4' energy: -112.518
flat angles P-C4'-P energy: -75.932
tors. eta vs tors. theta energy: -142.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1658.614367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.614367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.614367 (E_RNA)
where:
Base-Base interactions energy: -1162.717
where: short stacking energy: -492.444
Base-Backbone interact. energy: -0.342
local terms energy: -495.555866
where:
bonds (distance) C4'-P energy: -101.721
bonds (distance) P-C4' energy: -94.713
flat angles C4'-P-C4' energy: -114.098
flat angles P-C4'-P energy: -51.842
tors. eta vs tors. theta energy: -133.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -1582.291087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.291087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.291087 (E_RNA)
where:
Base-Base interactions energy: -1115.526
where: short stacking energy: -455.461
Base-Backbone interact. energy: -0.882
local terms energy: -465.883428
where:
bonds (distance) C4'-P energy: -81.760
bonds (distance) P-C4' energy: -105.832
flat angles C4'-P-C4' energy: -109.102
flat angles P-C4'-P energy: -55.840
tors. eta vs tors. theta energy: -113.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1413.700391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.700391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.700391 (E_RNA)
where:
Base-Base interactions energy: -971.006
where: short stacking energy: -409.765
Base-Backbone interact. energy: -1.614
local terms energy: -441.080407
where:
bonds (distance) C4'-P energy: -77.529
bonds (distance) P-C4' energy: -103.387
flat angles C4'-P-C4' energy: -98.061
flat angles P-C4'-P energy: -48.721
tors. eta vs tors. theta energy: -113.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -1365.754371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.754371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.754371 (E_RNA)
where:
Base-Base interactions energy: -920.093
where: short stacking energy: -392.017
Base-Backbone interact. energy: 1.468
local terms energy: -447.129863
where:
bonds (distance) C4'-P energy: -86.732
bonds (distance) P-C4' energy: -99.873
flat angles C4'-P-C4' energy: -95.333
flat angles P-C4'-P energy: -65.854
tors. eta vs tors. theta energy: -99.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -1238.877285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.877285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.877285 (E_RNA)
where:
Base-Base interactions energy: -832.644
where: short stacking energy: -355.102
Base-Backbone interact. energy: 2.090
local terms energy: -408.322605
where:
bonds (distance) C4'-P energy: -79.909
bonds (distance) P-C4' energy: -90.597
flat angles C4'-P-C4' energy: -90.530
flat angles P-C4'-P energy: -49.306
tors. eta vs tors. theta energy: -97.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -755.698400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.698400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.698400 (E_RNA)
where:
Base-Base interactions energy: -424.663
where: short stacking energy: -220.479
Base-Backbone interact. energy: 0.414
local terms energy: -331.448937
where:
bonds (distance) C4'-P energy: -98.305
bonds (distance) P-C4' energy: -93.915
flat angles C4'-P-C4' energy: -82.672
flat angles P-C4'-P energy: -42.744
tors. eta vs tors. theta energy: -13.813
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: 492
Temperature: 1.350000
Total energy: -618.883736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.883736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.883736 (E_RNA)
where:
Base-Base interactions energy: -328.009
where: short stacking energy: -188.329
Base-Backbone interact. energy: 3.465
local terms energy: -294.340023
where:
bonds (distance) C4'-P energy: -76.860
bonds (distance) P-C4' energy: -93.890
flat angles C4'-P-C4' energy: -77.200
flat angles P-C4'-P energy: -41.287
tors. eta vs tors. theta energy: -5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1878.019157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.019157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.019157 (E_RNA)
where:
Base-Base interactions energy: -1283.410
where: short stacking energy: -547.480
Base-Backbone interact. energy: -2.907
local terms energy: -591.702427
where:
bonds (distance) C4'-P energy: -103.908
bonds (distance) P-C4' energy: -111.161
flat angles C4'-P-C4' energy: -126.958
flat angles P-C4'-P energy: -87.794
tors. eta vs tors. theta energy: -161.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1766.790910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.790910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.790910 (E_RNA)
where:
Base-Base interactions energy: -1240.293
where: short stacking energy: -509.363
Base-Backbone interact. energy: -1.441
local terms energy: -525.056638
where:
bonds (distance) C4'-P energy: -83.540
bonds (distance) P-C4' energy: -110.340
flat angles C4'-P-C4' energy: -108.424
flat angles P-C4'-P energy: -83.117
tors. eta vs tors. theta energy: -139.636
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: 6
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -1710.818251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.818251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.818251 (E_RNA)
where:
Base-Base interactions energy: -1197.895
where: short stacking energy: -490.158
Base-Backbone interact. energy: 0.190
local terms energy: -513.113527
where:
bonds (distance) C4'-P energy: -92.197
bonds (distance) P-C4' energy: -97.044
flat angles C4'-P-C4' energy: -115.724
flat angles P-C4'-P energy: -71.708
tors. eta vs tors. theta energy: -136.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1648.031664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.031664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.031664 (E_RNA)
where:
Base-Base interactions energy: -1179.750
where: short stacking energy: -505.748
Base-Backbone interact. energy: -2.235
local terms energy: -466.047515
where:
bonds (distance) C4'-P energy: -94.786
bonds (distance) P-C4' energy: -94.397
flat angles C4'-P-C4' energy: -95.748
flat angles P-C4'-P energy: -54.080
tors. eta vs tors. theta energy: -127.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1617.722381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.722381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.722381 (E_RNA)
where:
Base-Base interactions energy: -1114.713
where: short stacking energy: -473.704
Base-Backbone interact. energy: -2.605
local terms energy: -500.404982
where:
bonds (distance) C4'-P energy: -103.341
bonds (distance) P-C4' energy: -89.292
flat angles C4'-P-C4' energy: -102.271
flat angles P-C4'-P energy: -67.161
tors. eta vs tors. theta energy: -138.339
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: 8
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -1439.824083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.824083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.824083 (E_RNA)
where:
Base-Base interactions energy: -986.566
where: short stacking energy: -443.688
Base-Backbone interact. energy: 2.291
local terms energy: -455.549352
where:
bonds (distance) C4'-P energy: -84.384
bonds (distance) P-C4' energy: -103.047
flat angles C4'-P-C4' energy: -97.700
flat angles P-C4'-P energy: -63.350
tors. eta vs tors. theta energy: -107.068
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: 4
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1377.330968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.330968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.330968 (E_RNA)
where:
Base-Base interactions energy: -943.072
where: short stacking energy: -418.041
Base-Backbone interact. energy: -1.298
local terms energy: -432.960234
where:
bonds (distance) C4'-P energy: -81.308
bonds (distance) P-C4' energy: -91.912
flat angles C4'-P-C4' energy: -88.854
flat angles P-C4'-P energy: -66.109
tors. eta vs tors. theta energy: -104.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -1137.331003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.331003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.331003 (E_RNA)
where:
Base-Base interactions energy: -777.417
where: short stacking energy: -337.235
Base-Backbone interact. energy: -2.227
local terms energy: -357.686911
where:
bonds (distance) C4'-P energy: -87.286
bonds (distance) P-C4' energy: -65.794
flat angles C4'-P-C4' energy: -79.595
flat angles P-C4'-P energy: -62.474
tors. eta vs tors. theta energy: -62.537
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: 9
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -725.408849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.408849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.408849 (E_RNA)
where:
Base-Base interactions energy: -407.228
where: short stacking energy: -226.605
Base-Backbone interact. energy: 8.149
local terms energy: -326.330380
where:
bonds (distance) C4'-P energy: -72.573
bonds (distance) P-C4' energy: -93.177
flat angles C4'-P-C4' energy: -89.255
flat angles P-C4'-P energy: -54.871
tors. eta vs tors. theta energy: -16.454
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: 493
Temperature: 1.350000
Total energy: -611.609306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.609306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.609306 (E_RNA)
where:
Base-Base interactions energy: -313.736
where: short stacking energy: -176.827
Base-Backbone interact. energy: 1.352
local terms energy: -299.225475
where:
bonds (distance) C4'-P energy: -83.840
bonds (distance) P-C4' energy: -84.383
flat angles C4'-P-C4' energy: -69.280
flat angles P-C4'-P energy: -45.027
tors. eta vs tors. theta energy: -16.695
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: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1883.138629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.138629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.138629 (E_RNA)
where:
Base-Base interactions energy: -1307.700
where: short stacking energy: -550.395
Base-Backbone interact. energy: -2.543
local terms energy: -572.895698
where:
bonds (distance) C4'-P energy: -96.207
bonds (distance) P-C4' energy: -106.753
flat angles C4'-P-C4' energy: -126.341
flat angles P-C4'-P energy: -81.000
tors. eta vs tors. theta energy: -162.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1772.795257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.795257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.795257 (E_RNA)
where:
Base-Base interactions energy: -1241.170
where: short stacking energy: -527.349
Base-Backbone interact. energy: -1.918
local terms energy: -529.707301
where:
bonds (distance) C4'-P energy: -92.512
bonds (distance) P-C4' energy: -95.639
flat angles C4'-P-C4' energy: -117.798
flat angles P-C4'-P energy: -85.926
tors. eta vs tors. theta energy: -137.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -1710.304858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.304858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.304858 (E_RNA)
where:
Base-Base interactions energy: -1173.843
where: short stacking energy: -486.155
Base-Backbone interact. energy: -2.456
local terms energy: -534.006102
where:
bonds (distance) C4'-P energy: -95.249
bonds (distance) P-C4' energy: -103.282
flat angles C4'-P-C4' energy: -122.188
flat angles P-C4'-P energy: -81.623
tors. eta vs tors. theta energy: -131.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -1661.784875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.784875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.784875 (E_RNA)
where:
Base-Base interactions energy: -1159.467
where: short stacking energy: -488.774
Base-Backbone interact. energy: 0.560
local terms energy: -502.877273
where:
bonds (distance) C4'-P energy: -95.267
bonds (distance) P-C4' energy: -93.275
flat angles C4'-P-C4' energy: -108.160
flat angles P-C4'-P energy: -70.041
tors. eta vs tors. theta energy: -136.135
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: 1
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -1647.068470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.068470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.068470 (E_RNA)
where:
Base-Base interactions energy: -1144.823
where: short stacking energy: -471.382
Base-Backbone interact. energy: -3.486
local terms energy: -498.759138
where:
bonds (distance) C4'-P energy: -73.602
bonds (distance) P-C4' energy: -94.131
flat angles C4'-P-C4' energy: -114.647
flat angles P-C4'-P energy: -78.910
tors. eta vs tors. theta energy: -137.470
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: 8
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -1431.854768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.854768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.854768 (E_RNA)
where:
Base-Base interactions energy: -977.222
where: short stacking energy: -401.586
Base-Backbone interact. energy: -0.104
local terms energy: -454.528877
where:
bonds (distance) C4'-P energy: -89.099
bonds (distance) P-C4' energy: -100.480
flat angles C4'-P-C4' energy: -111.849
flat angles P-C4'-P energy: -66.881
tors. eta vs tors. theta energy: -86.220
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: 4
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -1309.779205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.779205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.779205 (E_RNA)
where:
Base-Base interactions energy: -907.040
where: short stacking energy: -367.745
Base-Backbone interact. energy: 0.548
local terms energy: -403.287408
where:
bonds (distance) C4'-P energy: -81.496
bonds (distance) P-C4' energy: -102.850
flat angles C4'-P-C4' energy: -91.255
flat angles P-C4'-P energy: -46.592
tors. eta vs tors. theta energy: -81.093
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: 494
Temperature: 1.250000
Total energy: -1132.863988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.863988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.863988 (E_RNA)
where:
Base-Base interactions energy: -755.203
where: short stacking energy: -336.168
Base-Backbone interact. energy: -1.368
local terms energy: -376.293298
where:
bonds (distance) C4'-P energy: -76.753
bonds (distance) P-C4' energy: -81.827
flat angles C4'-P-C4' energy: -92.130
flat angles P-C4'-P energy: -57.418
tors. eta vs tors. theta energy: -68.165
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: 9
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -720.905915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.905915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.905915 (E_RNA)
where:
Base-Base interactions energy: -412.422
where: short stacking energy: -190.298
Base-Backbone interact. energy: -3.890
local terms energy: -304.593596
where:
bonds (distance) C4'-P energy: -85.899
bonds (distance) P-C4' energy: -88.234
flat angles C4'-P-C4' energy: -64.112
flat angles P-C4'-P energy: -62.016
tors. eta vs tors. theta energy: -4.333
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: 494
Temperature: 1.350000
Total energy: -591.967713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.967713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.967713 (E_RNA)
where:
Base-Base interactions energy: -316.403
where: short stacking energy: -179.179
Base-Backbone interact. energy: -1.633
local terms energy: -273.932267
where:
bonds (distance) C4'-P energy: -63.440
bonds (distance) P-C4' energy: -88.453
flat angles C4'-P-C4' energy: -70.249
flat angles P-C4'-P energy: -37.585
tors. eta vs tors. theta energy: -14.205
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: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1878.536595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.536595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.536595 (E_RNA)
where:
Base-Base interactions energy: -1320.259
where: short stacking energy: -550.485
Base-Backbone interact. energy: -2.823
local terms energy: -555.454095
where:
bonds (distance) C4'-P energy: -104.495
bonds (distance) P-C4' energy: -94.843
flat angles C4'-P-C4' energy: -119.618
flat angles P-C4'-P energy: -81.017
tors. eta vs tors. theta energy: -155.481
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: 2, replica: 3
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1773.360616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.360616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.360616 (E_RNA)
where:
Base-Base interactions energy: -1218.021
where: short stacking energy: -525.687
Base-Backbone interact. energy: -0.389
local terms energy: -554.950684
where:
bonds (distance) C4'-P energy: -98.859
bonds (distance) P-C4' energy: -107.429
flat angles C4'-P-C4' energy: -113.736
flat angles P-C4'-P energy: -82.926
tors. eta vs tors. theta energy: -152.000
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: 3, replica: 6
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1716.402768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.402768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.402768 (E_RNA)
where:
Base-Base interactions energy: -1191.035
where: short stacking energy: -495.593
Base-Backbone interact. energy: -2.373
local terms energy: -522.994729
where:
bonds (distance) C4'-P energy: -95.833
bonds (distance) P-C4' energy: -92.402
flat angles C4'-P-C4' energy: -122.005
flat angles P-C4'-P energy: -65.179
tors. eta vs tors. theta energy: -147.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1621.200262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.200262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.200262 (E_RNA)
where:
Base-Base interactions energy: -1115.571
where: short stacking energy: -470.815
Base-Backbone interact. energy: -2.694
local terms energy: -502.935474
where:
bonds (distance) C4'-P energy: -98.457
bonds (distance) P-C4' energy: -97.307
flat angles C4'-P-C4' energy: -113.160
flat angles P-C4'-P energy: -68.197
tors. eta vs tors. theta energy: -125.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -1583.263037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.263037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.263037 (E_RNA)
where:
Base-Base interactions energy: -1107.153
where: short stacking energy: -435.594
Base-Backbone interact. energy: -2.373
local terms energy: -473.737686
where:
bonds (distance) C4'-P energy: -92.557
bonds (distance) P-C4' energy: -88.301
flat angles C4'-P-C4' energy: -108.364
flat angles P-C4'-P energy: -67.655
tors. eta vs tors. theta energy: -116.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -1424.926557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.926557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.926557 (E_RNA)
where:
Base-Base interactions energy: -963.704
where: short stacking energy: -429.045
Base-Backbone interact. energy: -0.802
local terms energy: -460.420660
where:
bonds (distance) C4'-P energy: -78.311
bonds (distance) P-C4' energy: -87.870
flat angles C4'-P-C4' energy: -108.658
flat angles P-C4'-P energy: -70.672
tors. eta vs tors. theta energy: -114.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -1320.320030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.320030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.320030 (E_RNA)
where:
Base-Base interactions energy: -901.517
where: short stacking energy: -371.790
Base-Backbone interact. energy: -2.787
local terms energy: -416.015386
where:
bonds (distance) C4'-P energy: -97.178
bonds (distance) P-C4' energy: -77.343
flat angles C4'-P-C4' energy: -103.020
flat angles P-C4'-P energy: -51.146
tors. eta vs tors. theta energy: -87.328
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: 7
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -1167.328520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.328520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.328520 (E_RNA)
where:
Base-Base interactions energy: -764.276
where: short stacking energy: -346.562
Base-Backbone interact. energy: -0.904
local terms energy: -402.148278
where:
bonds (distance) C4'-P energy: -92.538
bonds (distance) P-C4' energy: -86.397
flat angles C4'-P-C4' energy: -90.773
flat angles P-C4'-P energy: -64.271
tors. eta vs tors. theta energy: -68.170
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: 9
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -733.187419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.187419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.187419 (E_RNA)
where:
Base-Base interactions energy: -416.703
where: short stacking energy: -209.998
Base-Backbone interact. energy: -0.127
local terms energy: -316.357127
where:
bonds (distance) C4'-P energy: -80.105
bonds (distance) P-C4' energy: -94.065
flat angles C4'-P-C4' energy: -79.814
flat angles P-C4'-P energy: -57.624
tors. eta vs tors. theta energy: -4.750
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: 10, replica: 10
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -617.585136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.585136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.585136 (E_RNA)
where:
Base-Base interactions energy: -352.154
where: short stacking energy: -193.153
Base-Backbone interact. energy: 1.407
local terms energy: -266.838321
where:
bonds (distance) C4'-P energy: -67.228
bonds (distance) P-C4' energy: -90.445
flat angles C4'-P-C4' energy: -68.417
flat angles P-C4'-P energy: -32.115
tors. eta vs tors. theta energy: -8.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -1870.603310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.603310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.603310 (E_RNA)
where:
Base-Base interactions energy: -1303.730
where: short stacking energy: -536.426
Base-Backbone interact. energy: 0.361
local terms energy: -567.234130
where:
bonds (distance) C4'-P energy: -96.758
bonds (distance) P-C4' energy: -113.004
flat angles C4'-P-C4' energy: -122.719
flat angles P-C4'-P energy: -81.296
tors. eta vs tors. theta energy: -153.457
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: 3
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -1785.162700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.162700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.162700 (E_RNA)
where:
Base-Base interactions energy: -1228.642
where: short stacking energy: -529.149
Base-Backbone interact. energy: 0.457
local terms energy: -556.978145
where:
bonds (distance) C4'-P energy: -97.947
bonds (distance) P-C4' energy: -116.853
flat angles C4'-P-C4' energy: -118.655
flat angles P-C4'-P energy: -79.854
tors. eta vs tors. theta energy: -143.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -1705.422073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.422073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.422073 (E_RNA)
where:
Base-Base interactions energy: -1167.325
where: short stacking energy: -481.014
Base-Backbone interact. energy: 0.068
local terms energy: -538.164649
where:
bonds (distance) C4'-P energy: -100.925
bonds (distance) P-C4' energy: -100.818
flat angles C4'-P-C4' energy: -118.587
flat angles P-C4'-P energy: -80.568
tors. eta vs tors. theta energy: -137.267
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: 1
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -1659.773678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.773678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.773678 (E_RNA)
where:
Base-Base interactions energy: -1171.502
where: short stacking energy: -486.712
Base-Backbone interact. energy: 0.845
local terms energy: -489.116199
where:
bonds (distance) C4'-P energy: -82.588
bonds (distance) P-C4' energy: -93.939
flat angles C4'-P-C4' energy: -105.511
flat angles P-C4'-P energy: -75.473
tors. eta vs tors. theta energy: -131.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -1559.260648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.260648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.260648 (E_RNA)
where:
Base-Base interactions energy: -1112.617
where: short stacking energy: -453.281
Base-Backbone interact. energy: -0.994
local terms energy: -445.649705
where:
bonds (distance) C4'-P energy: -82.513
bonds (distance) P-C4' energy: -89.084
flat angles C4'-P-C4' energy: -94.524
flat angles P-C4'-P energy: -60.641
tors. eta vs tors. theta energy: -118.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -1402.088126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.088126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.088126 (E_RNA)
where:
Base-Base interactions energy: -977.785
where: short stacking energy: -396.219
Base-Backbone interact. energy: -0.851
local terms energy: -423.452502
where:
bonds (distance) C4'-P energy: -86.791
bonds (distance) P-C4' energy: -80.868
flat angles C4'-P-C4' energy: -89.515
flat angles P-C4'-P energy: -72.729
tors. eta vs tors. theta energy: -93.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -1363.459689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.459689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.459689 (E_RNA)
where:
Base-Base interactions energy: -946.766
where: short stacking energy: -396.085
Base-Backbone interact. energy: -2.174
local terms energy: -414.518985
where:
bonds (distance) C4'-P energy: -76.004
bonds (distance) P-C4' energy: -87.318
flat angles C4'-P-C4' energy: -96.337
flat angles P-C4'-P energy: -59.751
tors. eta vs tors. theta energy: -95.109
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: 7
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -1225.396468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.396468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.396468 (E_RNA)
where:
Base-Base interactions energy: -837.087
where: short stacking energy: -361.270
Base-Backbone interact. energy: -0.794
local terms energy: -387.515132
where:
bonds (distance) C4'-P energy: -69.290
bonds (distance) P-C4' energy: -87.330
flat angles C4'-P-C4' energy: -97.025
flat angles P-C4'-P energy: -48.538
tors. eta vs tors. theta energy: -85.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -698.881644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.881644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.881644 (E_RNA)
where:
Base-Base interactions energy: -399.868
where: short stacking energy: -213.325
Base-Backbone interact. energy: -1.015
local terms energy: -297.998287
where:
bonds (distance) C4'-P energy: -73.179
bonds (distance) P-C4' energy: -83.696
flat angles C4'-P-C4' energy: -84.333
flat angles P-C4'-P energy: -45.027
tors. eta vs tors. theta energy: -11.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -644.175244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.175244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.175244 (E_RNA)
where:
Base-Base interactions energy: -368.965
where: short stacking energy: -209.472
Base-Backbone interact. energy: 0.118
local terms energy: -275.327861
where:
bonds (distance) C4'-P energy: -80.424
bonds (distance) P-C4' energy: -68.696
flat angles C4'-P-C4' energy: -68.758
flat angles P-C4'-P energy: -45.009
tors. eta vs tors. theta energy: -12.442
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: 497
Temperature: 0.900000
Total energy: -1873.507562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.507562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.507562 (E_RNA)
where:
Base-Base interactions energy: -1317.259
where: short stacking energy: -558.934
Base-Backbone interact. energy: 4.264
local terms energy: -560.512530
where:
bonds (distance) C4'-P energy: -97.856
bonds (distance) P-C4' energy: -104.848
flat angles C4'-P-C4' energy: -118.434
flat angles P-C4'-P energy: -87.204
tors. eta vs tors. theta energy: -152.171
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: 3
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1801.089949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.089949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.089949 (E_RNA)
where:
Base-Base interactions energy: -1271.987
where: short stacking energy: -528.805
Base-Backbone interact. energy: -1.642
local terms energy: -527.460307
where:
bonds (distance) C4'-P energy: -95.986
bonds (distance) P-C4' energy: -103.588
flat angles C4'-P-C4' energy: -113.133
flat angles P-C4'-P energy: -74.962
tors. eta vs tors. theta energy: -139.792
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: 6
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -1737.997143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.997143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.997143 (E_RNA)
where:
Base-Base interactions energy: -1203.478
where: short stacking energy: -511.606
Base-Backbone interact. energy: 0.064
local terms energy: -534.582934
where:
bonds (distance) C4'-P energy: -94.443
bonds (distance) P-C4' energy: -94.252
flat angles C4'-P-C4' energy: -120.469
flat angles P-C4'-P energy: -77.697
tors. eta vs tors. theta energy: -147.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -1676.216825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.216825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.216825 (E_RNA)
where:
Base-Base interactions energy: -1152.020
where: short stacking energy: -497.081
Base-Backbone interact. energy: -2.627
local terms energy: -521.569484
where:
bonds (distance) C4'-P energy: -101.276
bonds (distance) P-C4' energy: -104.212
flat angles C4'-P-C4' energy: -113.658
flat angles P-C4'-P energy: -72.316
tors. eta vs tors. theta energy: -130.108
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: 5, replica: 1
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -1573.923532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.923532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.923532 (E_RNA)
where:
Base-Base interactions energy: -1097.595
where: short stacking energy: -456.689
Base-Backbone interact. energy: -2.438
local terms energy: -473.890783
where:
bonds (distance) C4'-P energy: -96.138
bonds (distance) P-C4' energy: -97.379
flat angles C4'-P-C4' energy: -94.081
flat angles P-C4'-P energy: -68.385
tors. eta vs tors. theta energy: -117.908
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: 8
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -1433.199523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.199523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.199523 (E_RNA)
where:
Base-Base interactions energy: -995.287
where: short stacking energy: -399.988
Base-Backbone interact. energy: 0.463
local terms energy: -438.374805
where:
bonds (distance) C4'-P energy: -81.461
bonds (distance) P-C4' energy: -98.298
flat angles C4'-P-C4' energy: -88.750
flat angles P-C4'-P energy: -74.768
tors. eta vs tors. theta energy: -95.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -1369.664321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.664321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.664321 (E_RNA)
where:
Base-Base interactions energy: -942.548
where: short stacking energy: -378.511
Base-Backbone interact. energy: -0.513
local terms energy: -426.603117
where:
bonds (distance) C4'-P energy: -95.804
bonds (distance) P-C4' energy: -99.494
flat angles C4'-P-C4' energy: -89.838
flat angles P-C4'-P energy: -60.693
tors. eta vs tors. theta energy: -80.774
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: 7
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -1247.402553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.402553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.402553 (E_RNA)
where:
Base-Base interactions energy: -848.641
where: short stacking energy: -387.120
Base-Backbone interact. energy: -0.937
local terms energy: -397.824828
where:
bonds (distance) C4'-P energy: -83.665
bonds (distance) P-C4' energy: -67.645
flat angles C4'-P-C4' energy: -97.473
flat angles P-C4'-P energy: -70.927
tors. eta vs tors. theta energy: -78.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -700.244683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.244683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.244683 (E_RNA)
where:
Base-Base interactions energy: -378.302
where: short stacking energy: -215.716
Base-Backbone interact. energy: -2.809
local terms energy: -319.133710
where:
bonds (distance) C4'-P energy: -86.874
bonds (distance) P-C4' energy: -90.573
flat angles C4'-P-C4' energy: -61.919
flat angles P-C4'-P energy: -52.313
tors. eta vs tors. theta energy: -27.455
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: 10, replica: 9
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -677.454097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.454097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.454097 (E_RNA)
where:
Base-Base interactions energy: -367.047
where: short stacking energy: -189.573
Base-Backbone interact. energy: -0.133
local terms energy: -310.274504
where:
bonds (distance) C4'-P energy: -83.805
bonds (distance) P-C4' energy: -87.926
flat angles C4'-P-C4' energy: -87.763
flat angles P-C4'-P energy: -44.707
tors. eta vs tors. theta energy: -6.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1879.270998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.270998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.270998 (E_RNA)
where:
Base-Base interactions energy: -1322.837
where: short stacking energy: -546.712
Base-Backbone interact. energy: -2.517
local terms energy: -553.916252
where:
bonds (distance) C4'-P energy: -101.006
bonds (distance) P-C4' energy: -110.424
flat angles C4'-P-C4' energy: -106.283
flat angles P-C4'-P energy: -81.606
tors. eta vs tors. theta energy: -154.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -1796.623070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.623070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.623070 (E_RNA)
where:
Base-Base interactions energy: -1279.999
where: short stacking energy: -522.626
Base-Backbone interact. energy: 5.252
local terms energy: -521.877043
where:
bonds (distance) C4'-P energy: -91.887
bonds (distance) P-C4' energy: -100.318
flat angles C4'-P-C4' energy: -113.590
flat angles P-C4'-P energy: -80.644
tors. eta vs tors. theta energy: -135.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -1747.099480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.099480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.099480 (E_RNA)
where:
Base-Base interactions energy: -1190.664
where: short stacking energy: -516.088
Base-Backbone interact. energy: -3.626
local terms energy: -552.810148
where:
bonds (distance) C4'-P energy: -97.545
bonds (distance) P-C4' energy: -99.155
flat angles C4'-P-C4' energy: -119.024
flat angles P-C4'-P energy: -80.808
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: 4, replica: 5
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -1651.721312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.721312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.721312 (E_RNA)
where:
Base-Base interactions energy: -1140.840
where: short stacking energy: -475.460
Base-Backbone interact. energy: -1.992
local terms energy: -508.889351
where:
bonds (distance) C4'-P energy: -99.536
bonds (distance) P-C4' energy: -107.139
flat angles C4'-P-C4' energy: -111.873
flat angles P-C4'-P energy: -61.170
tors. eta vs tors. theta energy: -129.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -1577.414150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.414150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.414150 (E_RNA)
where:
Base-Base interactions energy: -1070.558
where: short stacking energy: -456.666
Base-Backbone interact. energy: -2.732
local terms energy: -504.123778
where:
bonds (distance) C4'-P energy: -80.098
bonds (distance) P-C4' energy: -91.979
flat angles C4'-P-C4' energy: -115.485
flat angles P-C4'-P energy: -84.579
tors. eta vs tors. theta energy: -131.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -1447.217674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.217674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.217674 (E_RNA)
where:
Base-Base interactions energy: -984.544
where: short stacking energy: -431.977
Base-Backbone interact. energy: -1.756
local terms energy: -460.916923
where:
bonds (distance) C4'-P energy: -90.413
bonds (distance) P-C4' energy: -98.058
flat angles C4'-P-C4' energy: -93.433
flat angles P-C4'-P energy: -76.272
tors. eta vs tors. theta energy: -102.740
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: 4
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -1334.204471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.204471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.204471 (E_RNA)
where:
Base-Base interactions energy: -921.704
where: short stacking energy: -370.076
Base-Backbone interact. energy: -1.264
local terms energy: -411.236050
where:
bonds (distance) C4'-P energy: -82.615
bonds (distance) P-C4' energy: -84.199
flat angles C4'-P-C4' energy: -100.887
flat angles P-C4'-P energy: -62.422
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: 8, replica: 7
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -1194.260948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.260948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.260948 (E_RNA)
where:
Base-Base interactions energy: -816.972
where: short stacking energy: -345.892
Base-Backbone interact. energy: -2.524
local terms energy: -374.765552
where:
bonds (distance) C4'-P energy: -87.406
bonds (distance) P-C4' energy: -86.544
flat angles C4'-P-C4' energy: -81.621
flat angles P-C4'-P energy: -47.218
tors. eta vs tors. theta energy: -71.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -712.860545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.860545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.860545 (E_RNA)
where:
Base-Base interactions energy: -393.727
where: short stacking energy: -191.880
Base-Backbone interact. energy: 3.790
local terms energy: -322.923490
where:
bonds (distance) C4'-P energy: -91.346
bonds (distance) P-C4' energy: -89.708
flat angles C4'-P-C4' energy: -96.616
flat angles P-C4'-P energy: -39.682
tors. eta vs tors. theta energy: -5.571
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: 498
Temperature: 1.350000
Total energy: -678.812281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.812281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.812281 (E_RNA)
where:
Base-Base interactions energy: -357.989
where: short stacking energy: -191.792
Base-Backbone interact. energy: 0.075
local terms energy: -320.897514
where:
bonds (distance) C4'-P energy: -90.223
bonds (distance) P-C4' energy: -91.831
flat angles C4'-P-C4' energy: -77.020
flat angles P-C4'-P energy: -53.600
tors. eta vs tors. theta energy: -8.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -1906.751199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.751199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.751199 (E_RNA)
where:
Base-Base interactions energy: -1343.684
where: short stacking energy: -571.842
Base-Backbone interact. energy: -3.112
local terms energy: -559.954997
where:
bonds (distance) C4'-P energy: -103.299
bonds (distance) P-C4' energy: -104.426
flat angles C4'-P-C4' energy: -119.556
flat angles P-C4'-P energy: -76.344
tors. eta vs tors. theta energy: -156.330
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: 2, replica: 6
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -1821.655998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.655998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.655998 (E_RNA)
where:
Base-Base interactions energy: -1258.823
where: short stacking energy: -528.527
Base-Backbone interact. energy: -1.786
local terms energy: -561.047260
where:
bonds (distance) C4'-P energy: -101.642
bonds (distance) P-C4' energy: -105.399
flat angles C4'-P-C4' energy: -127.702
flat angles P-C4'-P energy: -71.743
tors. eta vs tors. theta energy: -154.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -1725.319075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.319075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.319075 (E_RNA)
where:
Base-Base interactions energy: -1204.795
where: short stacking energy: -511.198
Base-Backbone interact. energy: -3.322
local terms energy: -517.201859
where:
bonds (distance) C4'-P energy: -91.345
bonds (distance) P-C4' energy: -102.079
flat angles C4'-P-C4' energy: -113.862
flat angles P-C4'-P energy: -71.132
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: 4, replica: 5
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -1659.668306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.668306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.668306 (E_RNA)
where:
Base-Base interactions energy: -1152.829
where: short stacking energy: -458.336
Base-Backbone interact. energy: -1.649
local terms energy: -505.190411
where:
bonds (distance) C4'-P energy: -103.204
bonds (distance) P-C4' energy: -94.725
flat angles C4'-P-C4' energy: -112.319
flat angles P-C4'-P energy: -81.838
tors. eta vs tors. theta energy: -113.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -1613.839949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.839949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.839949 (E_RNA)
where:
Base-Base interactions energy: -1096.206
where: short stacking energy: -467.165
Base-Backbone interact. energy: -3.800
local terms energy: -513.834184
where:
bonds (distance) C4'-P energy: -85.830
bonds (distance) P-C4' energy: -89.804
flat angles C4'-P-C4' energy: -115.181
flat angles P-C4'-P energy: -73.346
tors. eta vs tors. theta energy: -149.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -1457.954174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.954174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.954174 (E_RNA)
where:
Base-Base interactions energy: -992.526
where: short stacking energy: -456.846
Base-Backbone interact. energy: -2.393
local terms energy: -463.034997
where:
bonds (distance) C4'-P energy: -97.209
bonds (distance) P-C4' energy: -87.387
flat angles C4'-P-C4' energy: -106.277
flat angles P-C4'-P energy: -60.907
tors. eta vs tors. theta energy: -111.255
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: 8
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -1346.903301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.903301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.903301 (E_RNA)
where:
Base-Base interactions energy: -900.978
where: short stacking energy: -405.232
Base-Backbone interact. energy: -1.865
local terms energy: -444.060070
where:
bonds (distance) C4'-P energy: -94.092
bonds (distance) P-C4' energy: -103.308
flat angles C4'-P-C4' energy: -97.204
flat angles P-C4'-P energy: -48.744
tors. eta vs tors. theta energy: -100.713
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: 499
Temperature: 1.250000
Total energy: -1173.674747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.674747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.674747 (E_RNA)
where:
Base-Base interactions energy: -772.341
where: short stacking energy: -334.897
Base-Backbone interact. energy: -0.600
local terms energy: -400.734338
where:
bonds (distance) C4'-P energy: -96.347
bonds (distance) P-C4' energy: -94.847
flat angles C4'-P-C4' energy: -87.727
flat angles P-C4'-P energy: -54.221
tors. eta vs tors. theta energy: -67.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -707.598104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.598104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.598104 (E_RNA)
where:
Base-Base interactions energy: -387.460
where: short stacking energy: -199.519
Base-Backbone interact. energy: 4.399
local terms energy: -324.536924
where:
bonds (distance) C4'-P energy: -79.333
bonds (distance) P-C4' energy: -85.625
flat angles C4'-P-C4' energy: -84.102
flat angles P-C4'-P energy: -46.976
tors. eta vs tors. theta energy: -28.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -701.522312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.522312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.522312 (E_RNA)
where:
Base-Base interactions energy: -397.359
where: short stacking energy: -180.996
Base-Backbone interact. energy: -1.693
local terms energy: -302.469500
where:
bonds (distance) C4'-P energy: -81.784
bonds (distance) P-C4' energy: -73.897
flat angles C4'-P-C4' energy: -82.644
flat angles P-C4'-P energy: -44.116
tors. eta vs tors. theta energy: -20.030
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: 500
Temperature: 0.900000
Total energy: -1909.058314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.058314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.058314 (E_RNA)
where:
Base-Base interactions energy: -1346.676
where: short stacking energy: -558.460
Base-Backbone interact. energy: -2.806
local terms energy: -559.576041
where:
bonds (distance) C4'-P energy: -109.138
bonds (distance) P-C4' energy: -102.262
flat angles C4'-P-C4' energy: -116.953
flat angles P-C4'-P energy: -77.009
tors. eta vs tors. theta energy: -154.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -1798.563537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.563537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.563537 (E_RNA)
where:
Base-Base interactions energy: -1243.928
where: short stacking energy: -524.714
Base-Backbone interact. energy: -0.268
local terms energy: -554.367854
where:
bonds (distance) C4'-P energy: -100.882
bonds (distance) P-C4' energy: -104.166
flat angles C4'-P-C4' energy: -119.224
flat angles P-C4'-P energy: -85.491
tors. eta vs tors. theta energy: -144.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -1754.371609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.371609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.371609 (E_RNA)
where:
Base-Base interactions energy: -1219.574
where: short stacking energy: -515.750
Base-Backbone interact. energy: -0.885
local terms energy: -533.912915
where:
bonds (distance) C4'-P energy: -89.233
bonds (distance) P-C4' energy: -104.752
flat angles C4'-P-C4' energy: -109.975
flat angles P-C4'-P energy: -75.529
tors. eta vs tors. theta energy: -154.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -1638.846308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.846308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.846308 (E_RNA)
where:
Base-Base interactions energy: -1150.623
where: short stacking energy: -470.350
Base-Backbone interact. energy: -1.701
local terms energy: -486.522925
where:
bonds (distance) C4'-P energy: -103.729
bonds (distance) P-C4' energy: -93.652
flat angles C4'-P-C4' energy: -96.067
flat angles P-C4'-P energy: -70.878
tors. eta vs tors. theta energy: -122.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -1612.678607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.678607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.678607 (E_RNA)
where:
Base-Base interactions energy: -1096.944
where: short stacking energy: -478.838
Base-Backbone interact. energy: -0.434
local terms energy: -515.299928
where:
bonds (distance) C4'-P energy: -88.953
bonds (distance) P-C4' energy: -97.276
flat angles C4'-P-C4' energy: -111.480
flat angles P-C4'-P energy: -71.362
tors. eta vs tors. theta energy: -146.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -1395.227054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.227054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.227054 (E_RNA)
where:
Base-Base interactions energy: -970.630
where: short stacking energy: -401.873
Base-Backbone interact. energy: -0.544
local terms energy: -424.053750
where:
bonds (distance) C4'-P energy: -74.024
bonds (distance) P-C4' energy: -83.464
flat angles C4'-P-C4' energy: -93.146
flat angles P-C4'-P energy: -79.585
tors. eta vs tors. theta energy: -93.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -1354.592594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.592594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.592594 (E_RNA)
where:
Base-Base interactions energy: -936.443
where: short stacking energy: -390.411
Base-Backbone interact. energy: 1.812
local terms energy: -419.961194
where:
bonds (distance) C4'-P energy: -69.547
bonds (distance) P-C4' energy: -90.777
flat angles C4'-P-C4' energy: -100.959
flat angles P-C4'-P energy: -63.134
tors. eta vs tors. theta energy: -95.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -1212.245539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.245539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.245539 (E_RNA)
where:
Base-Base interactions energy: -793.372
where: short stacking energy: -338.985
Base-Backbone interact. energy: -4.183
local terms energy: -414.690521
where:
bonds (distance) C4'-P energy: -82.126
bonds (distance) P-C4' energy: -99.500
flat angles C4'-P-C4' energy: -103.098
flat angles P-C4'-P energy: -52.849
tors. eta vs tors. theta energy: -77.117
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: 9
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -731.910687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.910687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.910687 (E_RNA)
where:
Base-Base interactions energy: -415.696
where: short stacking energy: -216.186
Base-Backbone interact. energy: 0.489
local terms energy: -316.704667
where:
bonds (distance) C4'-P energy: -71.131
bonds (distance) P-C4' energy: -98.871
flat angles C4'-P-C4' energy: -84.503
flat angles P-C4'-P energy: -54.657
tors. eta vs tors. theta energy: -7.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -678.517098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.517098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.517098 (E_RNA)
where:
Base-Base interactions energy: -357.773
where: short stacking energy: -196.690
Base-Backbone interact. energy: -3.053
local terms energy: -317.691096
where:
bonds (distance) C4'-P energy: -82.422
bonds (distance) P-C4' energy: -96.416
flat angles C4'-P-C4' energy: -73.918
flat angles P-C4'-P energy: -47.477
tors. eta vs tors. theta energy: -17.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -1898.039829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.039829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.039829 (E_RNA)
where:
Base-Base interactions energy: -1343.658
where: short stacking energy: -540.030
Base-Backbone interact. energy: -1.233
local terms energy: -553.148740
where:
bonds (distance) C4'-P energy: -97.200
bonds (distance) P-C4' energy: -99.953
flat angles C4'-P-C4' energy: -119.417
flat angles P-C4'-P energy: -86.150
tors. eta vs tors. theta energy: -150.428
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: 3
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -1788.415767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.415767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.415767 (E_RNA)
where:
Base-Base interactions energy: -1257.659
where: short stacking energy: -520.721
Base-Backbone interact. energy: -1.361
local terms energy: -529.396037
where:
bonds (distance) C4'-P energy: -102.031
bonds (distance) P-C4' energy: -105.250
flat angles C4'-P-C4' energy: -110.689
flat angles P-C4'-P energy: -74.253
tors. eta vs tors. theta energy: -137.173
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: 6
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -1755.221027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.221027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.221027 (E_RNA)
where:
Base-Base interactions energy: -1223.101
where: short stacking energy: -519.784
Base-Backbone interact. energy: -0.365
local terms energy: -531.755058
where:
bonds (distance) C4'-P energy: -86.164
bonds (distance) P-C4' energy: -106.934
flat angles C4'-P-C4' energy: -121.566
flat angles P-C4'-P energy: -71.913
tors. eta vs tors. theta energy: -145.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -1626.825747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.825747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.825747 (E_RNA)
where:
Base-Base interactions energy: -1110.252
where: short stacking energy: -472.814
Base-Backbone interact. energy: 0.658
local terms energy: -517.231559
where:
bonds (distance) C4'-P energy: -103.114
bonds (distance) P-C4' energy: -100.022
flat angles C4'-P-C4' energy: -109.016
flat angles P-C4'-P energy: -76.201
tors. eta vs tors. theta energy: -128.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -1600.295076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.295076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.295076 (E_RNA)
where:
Base-Base interactions energy: -1113.571
where: short stacking energy: -465.716
Base-Backbone interact. energy: -2.516
local terms energy: -484.208625
where:
bonds (distance) C4'-P energy: -79.925
bonds (distance) P-C4' energy: -103.169
flat angles C4'-P-C4' energy: -97.492
flat angles P-C4'-P energy: -78.159
tors. eta vs tors. theta energy: -125.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -1386.774980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.774980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.774980 (E_RNA)
where:
Base-Base interactions energy: -928.262
where: short stacking energy: -397.506
Base-Backbone interact. energy: -0.549
local terms energy: -457.963955
where:
bonds (distance) C4'-P energy: -86.090
bonds (distance) P-C4' energy: -94.382
flat angles C4'-P-C4' energy: -89.895
flat angles P-C4'-P energy: -71.668
tors. eta vs tors. theta energy: -115.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -1323.116291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.116291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.116291 (E_RNA)
where:
Base-Base interactions energy: -892.967
where: short stacking energy: -385.321
Base-Backbone interact. energy: -3.484
local terms energy: -426.665649
where:
bonds (distance) C4'-P energy: -84.982
bonds (distance) P-C4' energy: -92.597
flat angles C4'-P-C4' energy: -94.090
flat angles P-C4'-P energy: -67.361
tors. eta vs tors. theta energy: -87.635
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: 8, replica: 7
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -1242.778492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.778492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.778492 (E_RNA)
where:
Base-Base interactions energy: -831.998
where: short stacking energy: -371.101
Base-Backbone interact. energy: 1.078
local terms energy: -411.858449
where:
bonds (distance) C4'-P energy: -89.796
bonds (distance) P-C4' energy: -85.679
flat angles C4'-P-C4' energy: -100.104
flat angles P-C4'-P energy: -54.824
tors. eta vs tors. theta energy: -81.455
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: 9, replica: 9
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -740.142895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.142895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.142895 (E_RNA)
where:
Base-Base interactions energy: -414.108
where: short stacking energy: -237.939
Base-Backbone interact. energy: -0.043
local terms energy: -325.991155
where:
bonds (distance) C4'-P energy: -63.704
bonds (distance) P-C4' energy: -81.481
flat angles C4'-P-C4' energy: -86.553
flat angles P-C4'-P energy: -54.226
tors. eta vs tors. theta energy: -40.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -633.426101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.426101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.426101 (E_RNA)
where:
Base-Base interactions energy: -371.328
where: short stacking energy: -204.858
Base-Backbone interact. energy: 0.348
local terms energy: -262.446747
where:
bonds (distance) C4'-P energy: -75.298
bonds (distance) P-C4' energy: -80.850
flat angles C4'-P-C4' energy: -69.556
flat angles P-C4'-P energy: -27.219
tors. eta vs tors. theta energy: -9.524
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)
replica 2 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 73315258
moves confirmed later: 78003587
all moves confirmed: 151318845
percent of confirmed moves: 18.914856
current total energy: -1819.482651
recalc. total energy: -1819.482651
replica 3 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 90042183
moves confirmed later: 99107150
all moves confirmed: 189149333
percent of confirmed moves: 23.643667
current total energy: -1619.793462
recalc. total energy: -1619.793462
replica 6 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 96239611
moves confirmed later: 107650724
all moves confirmed: 203890335
percent of confirmed moves: 25.486292
current total energy: -1700.360106
recalc. total energy: -1700.360106
replica 5 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 88956878
moves confirmed later: 97891871
all moves confirmed: 186848749
percent of confirmed moves: 23.356094
current total energy: -1509.332462
recalc. total energy: -1509.332462
replica 1 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 71595901
moves confirmed later: 75810328
all moves confirmed: 147406229
percent of confirmed moves: 18.425779
current total energy: -1474.982207
recalc. total energy: -1474.982207
replica 8 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 114091071
moves confirmed later: 130775926
all moves confirmed: 244866997
percent of confirmed moves: 30.608375
current total energy: -1351.473051
recalc. total energy: -1351.473051
replica 4 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 91162820
moves confirmed later: 100920245
all moves confirmed: 192083065
percent of confirmed moves: 24.010383
current total energy: -1234.990286
recalc. total energy: -1234.990286
replica 7 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 130695168
moves confirmed later: 151585231
all moves confirmed: 282280399
percent of confirmed moves: 35.285050
current total energy: -1099.910398
recalc. total energy: -1099.910398
replica 9 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 168791145
moves confirmed later: 201322215
all moves confirmed: 370113360
percent of confirmed moves: 46.264170
current total energy: -592.121065
recalc. total energy: -592.121065
replica 10 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 180580208
moves confirmed later: 216330209
all moves confirmed: 396910417
percent of confirmed moves: 49.613802
current total energy: -484.854661
recalc. total energy: -484.854661
out arg RESULTS//1/Denv2_dominio2_RNAco-12540cdf_01
Time of doing 8000000 iterations: 39067.293 seconds