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/Denv4_dominio1_repli-082cf40d/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 84 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 84 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: 425
n_atoms_counter: 425
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 84.000000 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/Denv4_dominio1_repli-082cf40d/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 84 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 84 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: 425
n_atoms_counter: 425
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 84.000000 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/Denv4_dominio1_repli-082cf40d/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 84 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 84 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: 425
n_atoms_counter: 425
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 84.000000 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/Denv4_dominio1_repli-082cf40d/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 84 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 84 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: 425
n_atoms_counter: 425
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 84.000000 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/Denv4_dominio1_repli-082cf40d/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 84 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 84 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: 425
n_atoms_counter: 425
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 84.000000 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/Denv4_dominio1_repli-082cf40d/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 84 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 84 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: 425
n_atoms_counter: 425
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 84.000000 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/Denv4_dominio1_repli-082cf40d/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 84 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 84 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: 425
n_atoms_counter: 425
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 84.000000 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/Denv4_dominio1_repli-082cf40d/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 84 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 84 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: 425
n_atoms_counter: 425
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 84.000000 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/Denv4_dominio1_repli-082cf40d/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 84 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 84 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: 425
n_atoms_counter: 425
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 84.000000 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/Denv4_dominio1_repli-082cf40d/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 84 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 84 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: 425
n_atoms_counter: 425
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 84.000000 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: -1014.468754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.468754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.468754 (E_RNA)
where:
Base-Base interactions energy: -698.593
where: short stacking energy: -294.821
Base-Backbone interact. energy: -0.962
local terms energy: -314.913369
where:
bonds (distance) C4'-P energy: -44.458
bonds (distance) P-C4' energy: -70.485
flat angles C4'-P-C4' energy: -66.148
flat angles P-C4'-P energy: -44.496
tors. eta vs tors. theta energy: -89.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -1014.468754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.468754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.468754 (E_RNA)
where:
Base-Base interactions energy: -698.593
where: short stacking energy: -294.821
Base-Backbone interact. energy: -0.962
local terms energy: -314.913369
where:
bonds (distance) C4'-P energy: -44.458
bonds (distance) P-C4' energy: -70.485
flat angles C4'-P-C4' energy: -66.148
flat angles P-C4'-P energy: -44.496
tors. eta vs tors. theta energy: -89.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -1014.468754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.468754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.468754 (E_RNA)
where:
Base-Base interactions energy: -698.593
where: short stacking energy: -294.821
Base-Backbone interact. energy: -0.962
local terms energy: -314.913369
where:
bonds (distance) C4'-P energy: -44.458
bonds (distance) P-C4' energy: -70.485
flat angles C4'-P-C4' energy: -66.148
flat angles P-C4'-P energy: -44.496
tors. eta vs tors. theta energy: -89.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -1014.468754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.468754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.468754 (E_RNA)
where:
Base-Base interactions energy: -698.593
where: short stacking energy: -294.821
Base-Backbone interact. energy: -0.962
local terms energy: -314.913369
where:
bonds (distance) C4'-P energy: -44.458
bonds (distance) P-C4' energy: -70.485
flat angles C4'-P-C4' energy: -66.148
flat angles P-C4'-P energy: -44.496
tors. eta vs tors. theta energy: -89.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -1014.468754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.468754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.468754 (E_RNA)
where:
Base-Base interactions energy: -698.593
where: short stacking energy: -294.821
Base-Backbone interact. energy: -0.962
local terms energy: -314.913369
where:
bonds (distance) C4'-P energy: -44.458
bonds (distance) P-C4' energy: -70.485
flat angles C4'-P-C4' energy: -66.148
flat angles P-C4'-P energy: -44.496
tors. eta vs tors. theta energy: -89.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -1014.468754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.468754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.468754 (E_RNA)
where:
Base-Base interactions energy: -698.593
where: short stacking energy: -294.821
Base-Backbone interact. energy: -0.962
local terms energy: -314.913369
where:
bonds (distance) C4'-P energy: -44.458
bonds (distance) P-C4' energy: -70.485
flat angles C4'-P-C4' energy: -66.148
flat angles P-C4'-P energy: -44.496
tors. eta vs tors. theta energy: -89.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -1014.468754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.468754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.468754 (E_RNA)
where:
Base-Base interactions energy: -698.593
where: short stacking energy: -294.821
Base-Backbone interact. energy: -0.962
local terms energy: -314.913369
where:
bonds (distance) C4'-P energy: -44.458
bonds (distance) P-C4' energy: -70.485
flat angles C4'-P-C4' energy: -66.148
flat angles P-C4'-P energy: -44.496
tors. eta vs tors. theta energy: -89.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -1014.468754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.468754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.468754 (E_RNA)
where:
Base-Base interactions energy: -698.593
where: short stacking energy: -294.821
Base-Backbone interact. energy: -0.962
local terms energy: -314.913369
where:
bonds (distance) C4'-P energy: -44.458
bonds (distance) P-C4' energy: -70.485
flat angles C4'-P-C4' energy: -66.148
flat angles P-C4'-P energy: -44.496
tors. eta vs tors. theta energy: -89.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -1014.468754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.468754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.468754 (E_RNA)
where:
Base-Base interactions energy: -698.593
where: short stacking energy: -294.821
Base-Backbone interact. energy: -0.962
local terms energy: -314.913369
where:
bonds (distance) C4'-P energy: -44.458
bonds (distance) P-C4' energy: -70.485
flat angles C4'-P-C4' energy: -66.148
flat angles P-C4'-P energy: -44.496
tors. eta vs tors. theta energy: -89.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -1014.468754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.468754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.468754 (E_RNA)
where:
Base-Base interactions energy: -698.593
where: short stacking energy: -294.821
Base-Backbone interact. energy: -0.962
local terms energy: -314.913369
where:
bonds (distance) C4'-P energy: -44.458
bonds (distance) P-C4' energy: -70.485
flat angles C4'-P-C4' energy: -66.148
flat angles P-C4'-P energy: -44.496
tors. eta vs tors. theta energy: -89.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -1015.719168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.719168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.719168 (E_RNA)
where:
Base-Base interactions energy: -698.277
where: short stacking energy: -294.477
Base-Backbone interact. energy: -1.964
local terms energy: -315.478312
where:
bonds (distance) C4'-P energy: -45.497
bonds (distance) P-C4' energy: -69.153
flat angles C4'-P-C4' energy: -65.893
flat angles P-C4'-P energy: -44.824
tors. eta vs tors. theta energy: -90.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -1021.143178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.143178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.143178 (E_RNA)
where:
Base-Base interactions energy: -702.176
where: short stacking energy: -296.276
Base-Backbone interact. energy: -1.964
local terms energy: -317.003214
where:
bonds (distance) C4'-P energy: -47.460
bonds (distance) P-C4' energy: -69.386
flat angles C4'-P-C4' energy: -65.057
flat angles P-C4'-P energy: -44.759
tors. eta vs tors. theta energy: -90.341
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: 2
Temperature: 1.000000
Total energy: -1015.003828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.003828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.003828 (E_RNA)
where:
Base-Base interactions energy: -697.937
where: short stacking energy: -295.211
Base-Backbone interact. energy: -1.964
local terms energy: -315.102910
where:
bonds (distance) C4'-P energy: -45.497
bonds (distance) P-C4' energy: -69.153
flat angles C4'-P-C4' energy: -65.586
flat angles P-C4'-P energy: -44.817
tors. eta vs tors. theta energy: -90.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -1014.519644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.519644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.519644 (E_RNA)
where:
Base-Base interactions energy: -698.221
where: short stacking energy: -294.428
Base-Backbone interact. energy: -0.724
local terms energy: -315.573820
where:
bonds (distance) C4'-P energy: -44.875
bonds (distance) P-C4' energy: -70.932
flat angles C4'-P-C4' energy: -65.690
flat angles P-C4'-P energy: -44.721
tors. eta vs tors. theta energy: -89.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -1014.150879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.150879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.150879 (E_RNA)
where:
Base-Base interactions energy: -698.228
where: short stacking energy: -294.426
Base-Backbone interact. energy: -0.724
local terms energy: -315.198623
where:
bonds (distance) C4'-P energy: -44.432
bonds (distance) P-C4' energy: -70.932
flat angles C4'-P-C4' energy: -65.690
flat angles P-C4'-P energy: -44.721
tors. eta vs tors. theta energy: -89.423
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -1013.502214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.502214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.502214 (E_RNA)
where:
Base-Base interactions energy: -697.579
where: short stacking energy: -294.425
Base-Backbone interact. energy: -0.724
local terms energy: -315.198623
where:
bonds (distance) C4'-P energy: -44.432
bonds (distance) P-C4' energy: -70.932
flat angles C4'-P-C4' energy: -65.690
flat angles P-C4'-P energy: -44.721
tors. eta vs tors. theta energy: -89.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -1013.227823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.227823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.227823 (E_RNA)
where:
Base-Base interactions energy: -697.244
where: short stacking energy: -293.744
Base-Backbone interact. energy: -0.724
local terms energy: -315.259220
where:
bonds (distance) C4'-P energy: -44.432
bonds (distance) P-C4' energy: -70.932
flat angles C4'-P-C4' energy: -65.690
flat angles P-C4'-P energy: -44.721
tors. eta vs tors. theta energy: -89.484
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -1013.943400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.943400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.943400 (E_RNA)
where:
Base-Base interactions energy: -701.227
where: short stacking energy: -296.291
Base-Backbone interact. energy: -0.724
local terms energy: -311.992116
where:
bonds (distance) C4'-P energy: -44.308
bonds (distance) P-C4' energy: -69.382
flat angles C4'-P-C4' energy: -64.938
flat angles P-C4'-P energy: -43.810
tors. eta vs tors. theta energy: -89.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -1013.894423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.894423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.894423 (E_RNA)
where:
Base-Base interactions energy: -701.367
where: short stacking energy: -296.418
Base-Backbone interact. energy: -0.724
local terms energy: -311.802765
where:
bonds (distance) C4'-P energy: -44.308
bonds (distance) P-C4' energy: -69.382
flat angles C4'-P-C4' energy: -65.026
flat angles P-C4'-P energy: -43.810
tors. eta vs tors. theta energy: -89.276
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: 2
Temperature: 1.350000
Total energy: -1013.177017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.177017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.177017 (E_RNA)
where:
Base-Base interactions energy: -696.666
where: short stacking energy: -293.456
Base-Backbone interact. energy: -0.962
local terms energy: -315.549031
where:
bonds (distance) C4'-P energy: -44.813
bonds (distance) P-C4' energy: -71.169
flat angles C4'-P-C4' energy: -65.436
flat angles P-C4'-P energy: -44.777
tors. eta vs tors. theta energy: -89.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -974.253231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.253231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.253231 (E_RNA)
where:
Base-Base interactions energy: -675.963
where: short stacking energy: -276.457
Base-Backbone interact. energy: -2.408
local terms energy: -295.882025
where:
bonds (distance) C4'-P energy: -42.517
bonds (distance) P-C4' energy: -57.495
flat angles C4'-P-C4' energy: -62.845
flat angles P-C4'-P energy: -47.455
tors. eta vs tors. theta energy: -85.571
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: 3
Temperature: 0.950000
Total energy: -952.647545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.647545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.647545 (E_RNA)
where:
Base-Base interactions energy: -668.856
where: short stacking energy: -263.869
Base-Backbone interact. energy: -2.297
local terms energy: -281.494600
where:
bonds (distance) C4'-P energy: -55.657
bonds (distance) P-C4' energy: -43.272
flat angles C4'-P-C4' energy: -59.551
flat angles P-C4'-P energy: -33.982
tors. eta vs tors. theta energy: -89.032
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: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -930.480786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.480786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.480786 (E_RNA)
where:
Base-Base interactions energy: -666.852
where: short stacking energy: -255.429
Base-Backbone interact. energy: -2.457
local terms energy: -261.171749
where:
bonds (distance) C4'-P energy: -42.318
bonds (distance) P-C4' energy: -51.441
flat angles C4'-P-C4' energy: -48.787
flat angles P-C4'-P energy: -45.927
tors. eta vs tors. theta energy: -72.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -927.310446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.310446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.310446 (E_RNA)
where:
Base-Base interactions energy: -647.566
where: short stacking energy: -263.588
Base-Backbone interact. energy: -1.663
local terms energy: -278.080998
where:
bonds (distance) C4'-P energy: -48.476
bonds (distance) P-C4' energy: -53.204
flat angles C4'-P-C4' energy: -56.629
flat angles P-C4'-P energy: -38.280
tors. eta vs tors. theta energy: -81.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -909.159603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.159603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.159603 (E_RNA)
where:
Base-Base interactions energy: -653.872
where: short stacking energy: -248.357
Base-Backbone interact. energy: -1.528
local terms energy: -253.759298
where:
bonds (distance) C4'-P energy: -51.930
bonds (distance) P-C4' energy: -38.479
flat angles C4'-P-C4' energy: -56.929
flat angles P-C4'-P energy: -36.530
tors. eta vs tors. theta energy: -69.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -865.796842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.796842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.796842 (E_RNA)
where:
Base-Base interactions energy: -604.003
where: short stacking energy: -228.826
Base-Backbone interact. energy: 1.041
local terms energy: -262.834460
where:
bonds (distance) C4'-P energy: -37.796
bonds (distance) P-C4' energy: -50.176
flat angles C4'-P-C4' energy: -61.900
flat angles P-C4'-P energy: -41.285
tors. eta vs tors. theta energy: -71.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -803.317758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.317758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.317758 (E_RNA)
where:
Base-Base interactions energy: -587.094
where: short stacking energy: -230.277
Base-Backbone interact. energy: -1.571
local terms energy: -214.653202
where:
bonds (distance) C4'-P energy: -33.751
bonds (distance) P-C4' energy: -41.034
flat angles C4'-P-C4' energy: -42.985
flat angles P-C4'-P energy: -33.548
tors. eta vs tors. theta energy: -63.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -799.696894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.696894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.696894 (E_RNA)
where:
Base-Base interactions energy: -546.828
where: short stacking energy: -238.007
Base-Backbone interact. energy: -0.644
local terms energy: -252.224322
where:
bonds (distance) C4'-P energy: -58.773
bonds (distance) P-C4' energy: -50.280
flat angles C4'-P-C4' energy: -42.273
flat angles P-C4'-P energy: -30.662
tors. eta vs tors. theta energy: -70.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -730.666663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.666663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.666663 (E_RNA)
where:
Base-Base interactions energy: -508.121
where: short stacking energy: -201.277
Base-Backbone interact. energy: -2.233
local terms energy: -220.312413
where:
bonds (distance) C4'-P energy: -36.115
bonds (distance) P-C4' energy: -50.559
flat angles C4'-P-C4' energy: -46.623
flat angles P-C4'-P energy: -25.664
tors. eta vs tors. theta energy: -61.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -677.082926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.082926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.082926 (E_RNA)
where:
Base-Base interactions energy: -489.278
where: short stacking energy: -201.522
Base-Backbone interact. energy: -0.991
local terms energy: -186.813860
where:
bonds (distance) C4'-P energy: -27.105
bonds (distance) P-C4' energy: -34.863
flat angles C4'-P-C4' energy: -51.657
flat angles P-C4'-P energy: -20.107
tors. eta vs tors. theta energy: -53.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -982.590418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.590418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.590418 (E_RNA)
where:
Base-Base interactions energy: -678.914
where: short stacking energy: -284.433
Base-Backbone interact. energy: -3.490
local terms energy: -300.185921
where:
bonds (distance) C4'-P energy: -57.308
bonds (distance) P-C4' energy: -53.648
flat angles C4'-P-C4' energy: -58.640
flat angles P-C4'-P energy: -47.209
tors. eta vs tors. theta energy: -83.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -971.879859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.879859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.879859 (E_RNA)
where:
Base-Base interactions energy: -681.512
where: short stacking energy: -283.312
Base-Backbone interact. energy: -1.547
local terms energy: -288.821022
where:
bonds (distance) C4'-P energy: -51.199
bonds (distance) P-C4' energy: -60.860
flat angles C4'-P-C4' energy: -57.657
flat angles P-C4'-P energy: -34.796
tors. eta vs tors. theta energy: -84.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -929.528730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.528730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.528730 (E_RNA)
where:
Base-Base interactions energy: -654.648
where: short stacking energy: -251.583
Base-Backbone interact. energy: -0.960
local terms energy: -273.920635
where:
bonds (distance) C4'-P energy: -46.521
bonds (distance) P-C4' energy: -54.083
flat angles C4'-P-C4' energy: -55.338
flat angles P-C4'-P energy: -39.584
tors. eta vs tors. theta energy: -78.394
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: 4
Temperature: 1.050000
Total energy: -888.063261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.063261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.063261 (E_RNA)
where:
Base-Base interactions energy: -620.611
where: short stacking energy: -237.952
Base-Backbone interact. energy: -2.316
local terms energy: -265.136060
where:
bonds (distance) C4'-P energy: -48.171
bonds (distance) P-C4' energy: -49.186
flat angles C4'-P-C4' energy: -52.572
flat angles P-C4'-P energy: -42.955
tors. eta vs tors. theta energy: -72.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -881.456718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.456718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.456718 (E_RNA)
where:
Base-Base interactions energy: -620.977
where: short stacking energy: -242.809
Base-Backbone interact. energy: -2.886
local terms energy: -257.593413
where:
bonds (distance) C4'-P energy: -43.519
bonds (distance) P-C4' energy: -45.227
flat angles C4'-P-C4' energy: -55.340
flat angles P-C4'-P energy: -38.344
tors. eta vs tors. theta energy: -75.163
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: 4
Temperature: 1.150000
Total energy: -849.537789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.537789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.537789 (E_RNA)
where:
Base-Base interactions energy: -603.914
where: short stacking energy: -248.720
Base-Backbone interact. energy: -2.490
local terms energy: -243.133749
where:
bonds (distance) C4'-P energy: -41.401
bonds (distance) P-C4' energy: -43.937
flat angles C4'-P-C4' energy: -53.162
flat angles P-C4'-P energy: -35.717
tors. eta vs tors. theta energy: -68.916
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: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -792.896870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.896870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.896870 (E_RNA)
where:
Base-Base interactions energy: -556.744
where: short stacking energy: -213.712
Base-Backbone interact. energy: -1.920
local terms energy: -234.233268
where:
bonds (distance) C4'-P energy: -43.752
bonds (distance) P-C4' energy: -47.059
flat angles C4'-P-C4' energy: -50.498
flat angles P-C4'-P energy: -37.471
tors. eta vs tors. theta energy: -55.453
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: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -773.378569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.378569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.378569 (E_RNA)
where:
Base-Base interactions energy: -528.286
where: short stacking energy: -219.052
Base-Backbone interact. energy: -2.471
local terms energy: -242.622381
where:
bonds (distance) C4'-P energy: -42.236
bonds (distance) P-C4' energy: -49.624
flat angles C4'-P-C4' energy: -46.234
flat angles P-C4'-P energy: -37.977
tors. eta vs tors. theta energy: -66.552
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: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -743.503069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.503069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.503069 (E_RNA)
where:
Base-Base interactions energy: -510.355
where: short stacking energy: -209.269
Base-Backbone interact. energy: -1.173
local terms energy: -231.974894
where:
bonds (distance) C4'-P energy: -43.846
bonds (distance) P-C4' energy: -33.710
flat angles C4'-P-C4' energy: -57.595
flat angles P-C4'-P energy: -37.418
tors. eta vs tors. theta energy: -59.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -710.127587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.127587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.127587 (E_RNA)
where:
Base-Base interactions energy: -484.867
where: short stacking energy: -204.077
Base-Backbone interact. energy: -1.361
local terms energy: -223.898998
where:
bonds (distance) C4'-P energy: -47.190
bonds (distance) P-C4' energy: -47.943
flat angles C4'-P-C4' energy: -42.883
flat angles P-C4'-P energy: -36.480
tors. eta vs tors. theta energy: -49.403
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: 5
Temperature: 0.900000
Total energy: -984.266437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.266437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.266437 (E_RNA)
where:
Base-Base interactions energy: -693.789
where: short stacking energy: -276.713
Base-Backbone interact. energy: -1.978
local terms energy: -288.499987
where:
bonds (distance) C4'-P energy: -50.139
bonds (distance) P-C4' energy: -53.097
flat angles C4'-P-C4' energy: -56.147
flat angles P-C4'-P energy: -45.135
tors. eta vs tors. theta energy: -83.983
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: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -958.394494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.394494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.394494 (E_RNA)
where:
Base-Base interactions energy: -685.975
where: short stacking energy: -272.107
Base-Backbone interact. energy: -3.073
local terms energy: -269.346215
where:
bonds (distance) C4'-P energy: -44.651
bonds (distance) P-C4' energy: -50.263
flat angles C4'-P-C4' energy: -57.492
flat angles P-C4'-P energy: -38.276
tors. eta vs tors. theta energy: -78.664
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: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -923.702807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.702807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.702807 (E_RNA)
where:
Base-Base interactions energy: -661.091
where: short stacking energy: -246.683
Base-Backbone interact. energy: -1.657
local terms energy: -260.954402
where:
bonds (distance) C4'-P energy: -52.809
bonds (distance) P-C4' energy: -39.983
flat angles C4'-P-C4' energy: -54.735
flat angles P-C4'-P energy: -38.306
tors. eta vs tors. theta energy: -75.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -923.042693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.042693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.042693 (E_RNA)
where:
Base-Base interactions energy: -635.731
where: short stacking energy: -274.718
Base-Backbone interact. energy: -2.104
local terms energy: -285.207567
where:
bonds (distance) C4'-P energy: -54.589
bonds (distance) P-C4' energy: -47.760
flat angles C4'-P-C4' energy: -65.308
flat angles P-C4'-P energy: -38.505
tors. eta vs tors. theta energy: -79.046
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: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -885.233528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.233528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.233528 (E_RNA)
where:
Base-Base interactions energy: -617.035
where: short stacking energy: -241.087
Base-Backbone interact. energy: -1.334
local terms energy: -266.863989
where:
bonds (distance) C4'-P energy: -53.103
bonds (distance) P-C4' energy: -45.196
flat angles C4'-P-C4' energy: -53.490
flat angles P-C4'-P energy: -41.952
tors. eta vs tors. theta energy: -73.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -811.559491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.559491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.559491 (E_RNA)
where:
Base-Base interactions energy: -561.302
where: short stacking energy: -229.980
Base-Backbone interact. energy: -1.823
local terms energy: -248.434114
where:
bonds (distance) C4'-P energy: -48.791
bonds (distance) P-C4' energy: -40.087
flat angles C4'-P-C4' energy: -52.429
flat angles P-C4'-P energy: -38.094
tors. eta vs tors. theta energy: -69.033
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: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -829.582282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.582282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.582282 (E_RNA)
where:
Base-Base interactions energy: -591.510
where: short stacking energy: -233.325
Base-Backbone interact. energy: -0.713
local terms energy: -237.358938
where:
bonds (distance) C4'-P energy: -37.866
bonds (distance) P-C4' energy: -51.332
flat angles C4'-P-C4' energy: -44.760
flat angles P-C4'-P energy: -36.865
tors. eta vs tors. theta energy: -66.536
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: 5
Temperature: 1.250000
Total energy: -757.002715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.002715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.002715 (E_RNA)
where:
Base-Base interactions energy: -538.136
where: short stacking energy: -209.957
Base-Backbone interact. energy: -1.255
local terms energy: -217.610911
where:
bonds (distance) C4'-P energy: -37.443
bonds (distance) P-C4' energy: -40.780
flat angles C4'-P-C4' energy: -51.728
flat angles P-C4'-P energy: -32.496
tors. eta vs tors. theta energy: -55.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -740.303964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.303964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.303964 (E_RNA)
where:
Base-Base interactions energy: -521.290
where: short stacking energy: -206.546
Base-Backbone interact. energy: 0.414
local terms energy: -219.428451
where:
bonds (distance) C4'-P energy: -43.776
bonds (distance) P-C4' energy: -37.525
flat angles C4'-P-C4' energy: -47.503
flat angles P-C4'-P energy: -32.892
tors. eta vs tors. theta energy: -57.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -727.307007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.307007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.307007 (E_RNA)
where:
Base-Base interactions energy: -537.557
where: short stacking energy: -207.274
Base-Backbone interact. energy: -1.659
local terms energy: -188.091094
where:
bonds (distance) C4'-P energy: -24.937
bonds (distance) P-C4' energy: -31.256
flat angles C4'-P-C4' energy: -48.731
flat angles P-C4'-P energy: -28.694
tors. eta vs tors. theta energy: -54.473
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: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -978.053203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.053203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.053203 (E_RNA)
where:
Base-Base interactions energy: -676.818
where: short stacking energy: -267.872
Base-Backbone interact. energy: -2.561
local terms energy: -298.673697
where:
bonds (distance) C4'-P energy: -58.773
bonds (distance) P-C4' energy: -58.083
flat angles C4'-P-C4' energy: -59.545
flat angles P-C4'-P energy: -41.418
tors. eta vs tors. theta energy: -80.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -957.684019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.684019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.684019 (E_RNA)
where:
Base-Base interactions energy: -658.681
where: short stacking energy: -277.587
Base-Backbone interact. energy: -1.314
local terms energy: -297.688806
where:
bonds (distance) C4'-P energy: -52.453
bonds (distance) P-C4' energy: -58.229
flat angles C4'-P-C4' energy: -62.434
flat angles P-C4'-P energy: -40.868
tors. eta vs tors. theta energy: -83.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -953.527171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.527171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.527171 (E_RNA)
where:
Base-Base interactions energy: -674.124
where: short stacking energy: -270.055
Base-Backbone interact. energy: -2.073
local terms energy: -277.329924
where:
bonds (distance) C4'-P energy: -42.527
bonds (distance) P-C4' energy: -52.006
flat angles C4'-P-C4' energy: -53.745
flat angles P-C4'-P energy: -45.331
tors. eta vs tors. theta energy: -83.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -900.963311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.963311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.963311 (E_RNA)
where:
Base-Base interactions energy: -624.515
where: short stacking energy: -242.403
Base-Backbone interact. energy: -3.541
local terms energy: -272.907231
where:
bonds (distance) C4'-P energy: -46.263
bonds (distance) P-C4' energy: -54.032
flat angles C4'-P-C4' energy: -58.170
flat angles P-C4'-P energy: -40.421
tors. eta vs tors. theta energy: -74.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -884.053157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.053157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.053157 (E_RNA)
where:
Base-Base interactions energy: -610.589
where: short stacking energy: -258.576
Base-Backbone interact. energy: -0.579
local terms energy: -272.885338
where:
bonds (distance) C4'-P energy: -50.722
bonds (distance) P-C4' energy: -51.071
flat angles C4'-P-C4' energy: -54.676
flat angles P-C4'-P energy: -36.997
tors. eta vs tors. theta energy: -79.420
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: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -805.149812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.149812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.149812 (E_RNA)
where:
Base-Base interactions energy: -552.706
where: short stacking energy: -227.543
Base-Backbone interact. energy: -1.333
local terms energy: -251.110874
where:
bonds (distance) C4'-P energy: -48.039
bonds (distance) P-C4' energy: -47.240
flat angles C4'-P-C4' energy: -58.904
flat angles P-C4'-P energy: -35.367
tors. eta vs tors. theta energy: -61.561
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: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -795.338793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.338793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.338793 (E_RNA)
where:
Base-Base interactions energy: -542.069
where: short stacking energy: -234.725
Base-Backbone interact. energy: -1.330
local terms energy: -251.939415
where:
bonds (distance) C4'-P energy: -46.173
bonds (distance) P-C4' energy: -49.698
flat angles C4'-P-C4' energy: -53.710
flat angles P-C4'-P energy: -35.144
tors. eta vs tors. theta energy: -67.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -701.928437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.928437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.928437 (E_RNA)
where:
Base-Base interactions energy: -486.991
where: short stacking energy: -210.174
Base-Backbone interact. energy: -1.233
local terms energy: -213.705076
where:
bonds (distance) C4'-P energy: -38.046
bonds (distance) P-C4' energy: -55.838
flat angles C4'-P-C4' energy: -46.529
flat angles P-C4'-P energy: -21.398
tors. eta vs tors. theta energy: -51.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -714.372413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.372413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.372413 (E_RNA)
where:
Base-Base interactions energy: -506.526
where: short stacking energy: -183.091
Base-Backbone interact. energy: -1.169
local terms energy: -206.678197
where:
bonds (distance) C4'-P energy: -31.937
bonds (distance) P-C4' energy: -47.761
flat angles C4'-P-C4' energy: -53.455
flat angles P-C4'-P energy: -28.056
tors. eta vs tors. theta energy: -45.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -715.849631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.849631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.849631 (E_RNA)
where:
Base-Base interactions energy: -511.576
where: short stacking energy: -208.403
Base-Backbone interact. energy: 3.425
local terms energy: -207.698038
where:
bonds (distance) C4'-P energy: -39.285
bonds (distance) P-C4' energy: -34.652
flat angles C4'-P-C4' energy: -43.362
flat angles P-C4'-P energy: -31.575
tors. eta vs tors. theta energy: -58.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -988.821789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.821789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.821789 (E_RNA)
where:
Base-Base interactions energy: -680.309
where: short stacking energy: -281.784
Base-Backbone interact. energy: -1.661
local terms energy: -306.852072
where:
bonds (distance) C4'-P energy: -60.282
bonds (distance) P-C4' energy: -58.701
flat angles C4'-P-C4' energy: -63.234
flat angles P-C4'-P energy: -37.478
tors. eta vs tors. theta energy: -87.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -968.624999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.624999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.624999 (E_RNA)
where:
Base-Base interactions energy: -674.712
where: short stacking energy: -278.472
Base-Backbone interact. energy: -1.397
local terms energy: -292.515711
where:
bonds (distance) C4'-P energy: -47.877
bonds (distance) P-C4' energy: -52.107
flat angles C4'-P-C4' energy: -59.284
flat angles P-C4'-P energy: -45.380
tors. eta vs tors. theta energy: -87.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -933.413871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.413871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.413871 (E_RNA)
where:
Base-Base interactions energy: -662.534
where: short stacking energy: -261.057
Base-Backbone interact. energy: -3.965
local terms energy: -266.915345
where:
bonds (distance) C4'-P energy: -40.019
bonds (distance) P-C4' energy: -53.436
flat angles C4'-P-C4' energy: -58.357
flat angles P-C4'-P energy: -31.732
tors. eta vs tors. theta energy: -83.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -895.293191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.293191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.293191 (E_RNA)
where:
Base-Base interactions energy: -611.422
where: short stacking energy: -249.378
Base-Backbone interact. energy: 0.543
local terms energy: -284.413712
where:
bonds (distance) C4'-P energy: -53.849
bonds (distance) P-C4' energy: -55.406
flat angles C4'-P-C4' energy: -57.439
flat angles P-C4'-P energy: -39.258
tors. eta vs tors. theta energy: -78.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -878.690986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.690986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.690986 (E_RNA)
where:
Base-Base interactions energy: -617.245
where: short stacking energy: -236.026
Base-Backbone interact. energy: 0.166
local terms energy: -261.612078
where:
bonds (distance) C4'-P energy: -42.153
bonds (distance) P-C4' energy: -53.609
flat angles C4'-P-C4' energy: -56.871
flat angles P-C4'-P energy: -41.198
tors. eta vs tors. theta energy: -67.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -792.250626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.250626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.250626 (E_RNA)
where:
Base-Base interactions energy: -547.200
where: short stacking energy: -229.054
Base-Backbone interact. energy: -2.083
local terms energy: -242.967346
where:
bonds (distance) C4'-P energy: -45.082
bonds (distance) P-C4' energy: -44.996
flat angles C4'-P-C4' energy: -54.620
flat angles P-C4'-P energy: -38.774
tors. eta vs tors. theta energy: -59.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -767.723227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.723227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.723227 (E_RNA)
where:
Base-Base interactions energy: -531.209
where: short stacking energy: -215.362
Base-Backbone interact. energy: -2.883
local terms energy: -233.631881
where:
bonds (distance) C4'-P energy: -48.182
bonds (distance) P-C4' energy: -46.094
flat angles C4'-P-C4' energy: -58.225
flat angles P-C4'-P energy: -26.828
tors. eta vs tors. theta energy: -54.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -773.957301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.957301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.957301 (E_RNA)
where:
Base-Base interactions energy: -531.273
where: short stacking energy: -228.432
Base-Backbone interact. energy: 0.476
local terms energy: -243.161005
where:
bonds (distance) C4'-P energy: -50.571
bonds (distance) P-C4' energy: -54.767
flat angles C4'-P-C4' energy: -53.281
flat angles P-C4'-P energy: -29.809
tors. eta vs tors. theta energy: -54.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -680.376245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.376245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.376245 (E_RNA)
where:
Base-Base interactions energy: -473.919
where: short stacking energy: -194.193
Base-Backbone interact. energy: -0.069
local terms energy: -206.388047
where:
bonds (distance) C4'-P energy: -37.530
bonds (distance) P-C4' energy: -50.995
flat angles C4'-P-C4' energy: -46.215
flat angles P-C4'-P energy: -24.496
tors. eta vs tors. theta energy: -47.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -667.392052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.392052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.392052 (E_RNA)
where:
Base-Base interactions energy: -470.172
where: short stacking energy: -203.108
Base-Backbone interact. energy: 0.739
local terms energy: -197.959391
where:
bonds (distance) C4'-P energy: -32.237
bonds (distance) P-C4' energy: -42.887
flat angles C4'-P-C4' energy: -46.069
flat angles P-C4'-P energy: -28.003
tors. eta vs tors. theta energy: -48.763
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: 8
Temperature: 0.900000
Total energy: -986.994362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.994362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.994362 (E_RNA)
where:
Base-Base interactions energy: -686.268
where: short stacking energy: -285.386
Base-Backbone interact. energy: -0.829
local terms energy: -299.896952
where:
bonds (distance) C4'-P energy: -50.696
bonds (distance) P-C4' energy: -59.085
flat angles C4'-P-C4' energy: -61.322
flat angles P-C4'-P energy: -40.518
tors. eta vs tors. theta energy: -88.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -962.474558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.474558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.474558 (E_RNA)
where:
Base-Base interactions energy: -667.226
where: short stacking energy: -267.900
Base-Backbone interact. energy: -1.306
local terms energy: -293.942544
where:
bonds (distance) C4'-P energy: -53.588
bonds (distance) P-C4' energy: -50.684
flat angles C4'-P-C4' energy: -66.553
flat angles P-C4'-P energy: -42.778
tors. eta vs tors. theta energy: -80.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -916.118068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.118068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.118068 (E_RNA)
where:
Base-Base interactions energy: -653.943
where: short stacking energy: -261.514
Base-Backbone interact. energy: 2.561
local terms energy: -264.735747
where:
bonds (distance) C4'-P energy: -49.267
bonds (distance) P-C4' energy: -42.577
flat angles C4'-P-C4' energy: -60.055
flat angles P-C4'-P energy: -39.027
tors. eta vs tors. theta energy: -73.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -901.638631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.638631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.638631 (E_RNA)
where:
Base-Base interactions energy: -644.610
where: short stacking energy: -258.304
Base-Backbone interact. energy: -0.405
local terms energy: -256.623218
where:
bonds (distance) C4'-P energy: -36.120
bonds (distance) P-C4' energy: -51.489
flat angles C4'-P-C4' energy: -60.576
flat angles P-C4'-P energy: -43.276
tors. eta vs tors. theta energy: -65.162
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: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -855.305101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.305101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.305101 (E_RNA)
where:
Base-Base interactions energy: -586.687
where: short stacking energy: -227.732
Base-Backbone interact. energy: -1.159
local terms energy: -267.459015
where:
bonds (distance) C4'-P energy: -51.766
bonds (distance) P-C4' energy: -49.754
flat angles C4'-P-C4' energy: -60.490
flat angles P-C4'-P energy: -38.504
tors. eta vs tors. theta energy: -66.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -813.738703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.738703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.738703 (E_RNA)
where:
Base-Base interactions energy: -582.697
where: short stacking energy: -238.275
Base-Backbone interact. energy: 1.614
local terms energy: -232.656044
where:
bonds (distance) C4'-P energy: -38.987
bonds (distance) P-C4' energy: -31.855
flat angles C4'-P-C4' energy: -55.352
flat angles P-C4'-P energy: -44.196
tors. eta vs tors. theta energy: -62.266
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: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -781.312403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.312403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.312403 (E_RNA)
where:
Base-Base interactions energy: -527.268
where: short stacking energy: -219.590
Base-Backbone interact. energy: -1.373
local terms energy: -252.671595
where:
bonds (distance) C4'-P energy: -47.484
bonds (distance) P-C4' energy: -52.212
flat angles C4'-P-C4' energy: -57.955
flat angles P-C4'-P energy: -36.548
tors. eta vs tors. theta energy: -58.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -726.147588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.147588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.147588 (E_RNA)
where:
Base-Base interactions energy: -503.393
where: short stacking energy: -216.133
Base-Backbone interact. energy: -1.467
local terms energy: -221.287512
where:
bonds (distance) C4'-P energy: -40.731
bonds (distance) P-C4' energy: -48.145
flat angles C4'-P-C4' energy: -48.041
flat angles P-C4'-P energy: -23.872
tors. eta vs tors. theta energy: -60.499
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: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -667.512979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.512979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.512979 (E_RNA)
where:
Base-Base interactions energy: -453.482
where: short stacking energy: -186.034
Base-Backbone interact. energy: -0.582
local terms energy: -213.448553
where:
bonds (distance) C4'-P energy: -43.702
bonds (distance) P-C4' energy: -44.941
flat angles C4'-P-C4' energy: -41.369
flat angles P-C4'-P energy: -38.977
tors. eta vs tors. theta energy: -44.458
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: 8
Temperature: 1.350000
Total energy: -669.569211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.569211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.569211 (E_RNA)
where:
Base-Base interactions energy: -488.727
where: short stacking energy: -188.862
Base-Backbone interact. energy: -0.869
local terms energy: -179.973412
where:
bonds (distance) C4'-P energy: -40.211
bonds (distance) P-C4' energy: -41.852
flat angles C4'-P-C4' energy: -29.723
flat angles P-C4'-P energy: -21.878
tors. eta vs tors. theta energy: -46.309
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: 9
Temperature: 0.900000
Total energy: -966.672270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.672270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.672270 (E_RNA)
where:
Base-Base interactions energy: -683.624
where: short stacking energy: -276.880
Base-Backbone interact. energy: 0.070
local terms energy: -283.117921
where:
bonds (distance) C4'-P energy: -51.860
bonds (distance) P-C4' energy: -55.868
flat angles C4'-P-C4' energy: -60.027
flat angles P-C4'-P energy: -37.971
tors. eta vs tors. theta energy: -77.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -966.291576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.291576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.291576 (E_RNA)
where:
Base-Base interactions energy: -669.357
where: short stacking energy: -280.918
Base-Backbone interact. energy: -1.122
local terms energy: -295.812251
where:
bonds (distance) C4'-P energy: -53.750
bonds (distance) P-C4' energy: -55.583
flat angles C4'-P-C4' energy: -59.617
flat angles P-C4'-P energy: -37.769
tors. eta vs tors. theta energy: -89.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -913.569521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.569521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.569521 (E_RNA)
where:
Base-Base interactions energy: -639.015
where: short stacking energy: -257.830
Base-Backbone interact. energy: -1.172
local terms energy: -273.382765
where:
bonds (distance) C4'-P energy: -57.474
bonds (distance) P-C4' energy: -44.900
flat angles C4'-P-C4' energy: -52.438
flat angles P-C4'-P energy: -44.322
tors. eta vs tors. theta energy: -74.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -917.185091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.185091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.185091 (E_RNA)
where:
Base-Base interactions energy: -635.141
where: short stacking energy: -251.392
Base-Backbone interact. energy: -0.923
local terms energy: -281.121216
where:
bonds (distance) C4'-P energy: -52.002
bonds (distance) P-C4' energy: -52.407
flat angles C4'-P-C4' energy: -61.906
flat angles P-C4'-P energy: -42.686
tors. eta vs tors. theta energy: -72.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -825.009019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.009019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.009019 (E_RNA)
where:
Base-Base interactions energy: -582.634
where: short stacking energy: -239.886
Base-Backbone interact. energy: -1.329
local terms energy: -241.046328
where:
bonds (distance) C4'-P energy: -45.776
bonds (distance) P-C4' energy: -41.954
flat angles C4'-P-C4' energy: -53.669
flat angles P-C4'-P energy: -33.433
tors. eta vs tors. theta energy: -66.214
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: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -819.696331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.696331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.696331 (E_RNA)
where:
Base-Base interactions energy: -558.642
where: short stacking energy: -231.533
Base-Backbone interact. energy: -1.959
local terms energy: -259.095035
where:
bonds (distance) C4'-P energy: -51.848
bonds (distance) P-C4' energy: -54.910
flat angles C4'-P-C4' energy: -52.823
flat angles P-C4'-P energy: -43.241
tors. eta vs tors. theta energy: -56.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -770.258710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.258710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.258710 (E_RNA)
where:
Base-Base interactions energy: -533.222
where: short stacking energy: -206.579
Base-Backbone interact. energy: -0.430
local terms energy: -236.607056
where:
bonds (distance) C4'-P energy: -42.783
bonds (distance) P-C4' energy: -55.171
flat angles C4'-P-C4' energy: -52.915
flat angles P-C4'-P energy: -29.622
tors. eta vs tors. theta energy: -56.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -730.134339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.134339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.134339 (E_RNA)
where:
Base-Base interactions energy: -503.439
where: short stacking energy: -198.135
Base-Backbone interact. energy: -1.710
local terms energy: -224.985632
where:
bonds (distance) C4'-P energy: -46.171
bonds (distance) P-C4' energy: -49.649
flat angles C4'-P-C4' energy: -42.977
flat angles P-C4'-P energy: -34.894
tors. eta vs tors. theta energy: -51.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -705.222602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.222602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.222602 (E_RNA)
where:
Base-Base interactions energy: -501.268
where: short stacking energy: -190.299
Base-Backbone interact. energy: 2.037
local terms energy: -205.990811
where:
bonds (distance) C4'-P energy: -42.955
bonds (distance) P-C4' energy: -50.236
flat angles C4'-P-C4' energy: -38.565
flat angles P-C4'-P energy: -26.901
tors. eta vs tors. theta energy: -47.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -633.046753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.046753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.046753 (E_RNA)
where:
Base-Base interactions energy: -426.186
where: short stacking energy: -181.052
Base-Backbone interact. energy: 0.397
local terms energy: -207.257547
where:
bonds (distance) C4'-P energy: -47.769
bonds (distance) P-C4' energy: -40.202
flat angles C4'-P-C4' energy: -39.437
flat angles P-C4'-P energy: -31.548
tors. eta vs tors. theta energy: -48.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -988.528636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.528636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.528636 (E_RNA)
where:
Base-Base interactions energy: -693.119
where: short stacking energy: -288.794
Base-Backbone interact. energy: -2.637
local terms energy: -292.773245
where:
bonds (distance) C4'-P energy: -52.869
bonds (distance) P-C4' energy: -55.485
flat angles C4'-P-C4' energy: -57.324
flat angles P-C4'-P energy: -40.919
tors. eta vs tors. theta energy: -86.176
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: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -926.755031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.755031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.755031 (E_RNA)
where:
Base-Base interactions energy: -655.761
where: short stacking energy: -254.613
Base-Backbone interact. energy: -1.702
local terms energy: -269.291871
where:
bonds (distance) C4'-P energy: -50.182
bonds (distance) P-C4' energy: -51.048
flat angles C4'-P-C4' energy: -59.199
flat angles P-C4'-P energy: -37.604
tors. eta vs tors. theta energy: -71.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -860.261592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.261592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.261592 (E_RNA)
where:
Base-Base interactions energy: -592.732
where: short stacking energy: -242.623
Base-Backbone interact. energy: 1.328
local terms energy: -268.857688
where:
bonds (distance) C4'-P energy: -57.425
bonds (distance) P-C4' energy: -52.646
flat angles C4'-P-C4' energy: -54.730
flat angles P-C4'-P energy: -34.186
tors. eta vs tors. theta energy: -69.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -881.779980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.779980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.779980 (E_RNA)
where:
Base-Base interactions energy: -616.404
where: short stacking energy: -250.962
Base-Backbone interact. energy: -0.974
local terms energy: -264.401606
where:
bonds (distance) C4'-P energy: -47.416
bonds (distance) P-C4' energy: -48.417
flat angles C4'-P-C4' energy: -55.976
flat angles P-C4'-P energy: -37.854
tors. eta vs tors. theta energy: -74.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -819.114693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.114693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.114693 (E_RNA)
where:
Base-Base interactions energy: -564.513
where: short stacking energy: -227.847
Base-Backbone interact. energy: -1.908
local terms energy: -252.693267
where:
bonds (distance) C4'-P energy: -46.806
bonds (distance) P-C4' energy: -57.156
flat angles C4'-P-C4' energy: -58.555
flat angles P-C4'-P energy: -26.468
tors. eta vs tors. theta energy: -63.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -827.450623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.450623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.450623 (E_RNA)
where:
Base-Base interactions energy: -571.172
where: short stacking energy: -234.640
Base-Backbone interact. energy: -0.988
local terms energy: -255.291032
where:
bonds (distance) C4'-P energy: -43.468
bonds (distance) P-C4' energy: -49.937
flat angles C4'-P-C4' energy: -49.995
flat angles P-C4'-P energy: -38.661
tors. eta vs tors. theta energy: -73.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -768.266299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.266299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.266299 (E_RNA)
where:
Base-Base interactions energy: -525.933
where: short stacking energy: -219.701
Base-Backbone interact. energy: -0.636
local terms energy: -241.696920
where:
bonds (distance) C4'-P energy: -39.044
bonds (distance) P-C4' energy: -53.274
flat angles C4'-P-C4' energy: -54.628
flat angles P-C4'-P energy: -36.708
tors. eta vs tors. theta energy: -58.043
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: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -715.458222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.458222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.458222 (E_RNA)
where:
Base-Base interactions energy: -495.630
where: short stacking energy: -189.659
Base-Backbone interact. energy: 3.139
local terms energy: -222.967723
where:
bonds (distance) C4'-P energy: -51.412
bonds (distance) P-C4' energy: -41.716
flat angles C4'-P-C4' energy: -40.401
flat angles P-C4'-P energy: -36.908
tors. eta vs tors. theta energy: -52.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -691.557082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.557082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.557082 (E_RNA)
where:
Base-Base interactions energy: -482.930
where: short stacking energy: -209.030
Base-Backbone interact. energy: 0.513
local terms energy: -209.139633
where:
bonds (distance) C4'-P energy: -45.564
bonds (distance) P-C4' energy: -38.466
flat angles C4'-P-C4' energy: -45.515
flat angles P-C4'-P energy: -27.115
tors. eta vs tors. theta energy: -52.480
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: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -563.803205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.803205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.803205 (E_RNA)
where:
Base-Base interactions energy: -379.448
where: short stacking energy: -157.956
Base-Backbone interact. energy: 0.289
local terms energy: -184.644747
where:
bonds (distance) C4'-P energy: -46.856
bonds (distance) P-C4' energy: -45.386
flat angles C4'-P-C4' energy: -29.050
flat angles P-C4'-P energy: -27.367
tors. eta vs tors. theta energy: -35.986
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: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -987.098242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.098242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.098242 (E_RNA)
where:
Base-Base interactions energy: -684.881
where: short stacking energy: -285.440
Base-Backbone interact. energy: -1.514
local terms energy: -300.702807
where:
bonds (distance) C4'-P energy: -58.580
bonds (distance) P-C4' energy: -54.640
flat angles C4'-P-C4' energy: -63.316
flat angles P-C4'-P energy: -40.647
tors. eta vs tors. theta energy: -83.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -939.279624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.279624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.279624 (E_RNA)
where:
Base-Base interactions energy: -670.602
where: short stacking energy: -256.301
Base-Backbone interact. energy: 0.283
local terms energy: -268.960280
where:
bonds (distance) C4'-P energy: -49.714
bonds (distance) P-C4' energy: -52.209
flat angles C4'-P-C4' energy: -60.137
flat angles P-C4'-P energy: -32.849
tors. eta vs tors. theta energy: -74.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -893.303730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.303730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.303730 (E_RNA)
where:
Base-Base interactions energy: -617.534
where: short stacking energy: -244.607
Base-Backbone interact. energy: -0.932
local terms energy: -274.837524
where:
bonds (distance) C4'-P energy: -47.351
bonds (distance) P-C4' energy: -44.534
flat angles C4'-P-C4' energy: -59.343
flat angles P-C4'-P energy: -44.633
tors. eta vs tors. theta energy: -78.978
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: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -897.629732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.629732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.629732 (E_RNA)
where:
Base-Base interactions energy: -627.978
where: short stacking energy: -258.964
Base-Backbone interact. energy: -0.735
local terms energy: -268.916189
where:
bonds (distance) C4'-P energy: -45.364
bonds (distance) P-C4' energy: -45.911
flat angles C4'-P-C4' energy: -57.302
flat angles P-C4'-P energy: -43.412
tors. eta vs tors. theta energy: -76.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -823.441608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.441608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.441608 (E_RNA)
where:
Base-Base interactions energy: -580.460
where: short stacking energy: -249.667
Base-Backbone interact. energy: -0.761
local terms energy: -242.219840
where:
bonds (distance) C4'-P energy: -47.693
bonds (distance) P-C4' energy: -54.323
flat angles C4'-P-C4' energy: -47.847
flat angles P-C4'-P energy: -32.268
tors. eta vs tors. theta energy: -60.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -796.890965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.890965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.890965 (E_RNA)
where:
Base-Base interactions energy: -552.603
where: short stacking energy: -229.541
Base-Backbone interact. energy: -0.202
local terms energy: -244.086164
where:
bonds (distance) C4'-P energy: -47.271
bonds (distance) P-C4' energy: -51.181
flat angles C4'-P-C4' energy: -52.914
flat angles P-C4'-P energy: -36.155
tors. eta vs tors. theta energy: -56.565
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: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -786.669428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.669428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.669428 (E_RNA)
where:
Base-Base interactions energy: -526.779
where: short stacking energy: -215.245
Base-Backbone interact. energy: 0.197
local terms energy: -260.087818
where:
bonds (distance) C4'-P energy: -48.536
bonds (distance) P-C4' energy: -55.975
flat angles C4'-P-C4' energy: -49.940
flat angles P-C4'-P energy: -39.848
tors. eta vs tors. theta energy: -65.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -717.472911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.472911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.472911 (E_RNA)
where:
Base-Base interactions energy: -492.561
where: short stacking energy: -198.087
Base-Backbone interact. energy: -1.047
local terms energy: -223.864579
where:
bonds (distance) C4'-P energy: -44.893
bonds (distance) P-C4' energy: -49.356
flat angles C4'-P-C4' energy: -51.845
flat angles P-C4'-P energy: -26.547
tors. eta vs tors. theta energy: -51.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -688.994857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.994857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.994857 (E_RNA)
where:
Base-Base interactions energy: -470.917
where: short stacking energy: -177.546
Base-Backbone interact. energy: -1.260
local terms energy: -216.818216
where:
bonds (distance) C4'-P energy: -41.231
bonds (distance) P-C4' energy: -45.286
flat angles C4'-P-C4' energy: -42.107
flat angles P-C4'-P energy: -38.279
tors. eta vs tors. theta energy: -49.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -561.569799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.569799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.569799 (E_RNA)
where:
Base-Base interactions energy: -367.376
where: short stacking energy: -164.273
Base-Backbone interact. energy: 1.104
local terms energy: -195.298056
where:
bonds (distance) C4'-P energy: -50.757
bonds (distance) P-C4' energy: -39.693
flat angles C4'-P-C4' energy: -39.003
flat angles P-C4'-P energy: -27.537
tors. eta vs tors. theta energy: -38.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -966.512097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.512097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.512097 (E_RNA)
where:
Base-Base interactions energy: -667.701
where: short stacking energy: -275.877
Base-Backbone interact. energy: -3.091
local terms energy: -295.720995
where:
bonds (distance) C4'-P energy: -54.255
bonds (distance) P-C4' energy: -50.071
flat angles C4'-P-C4' energy: -65.367
flat angles P-C4'-P energy: -44.244
tors. eta vs tors. theta energy: -81.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -969.766071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.766071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.766071 (E_RNA)
where:
Base-Base interactions energy: -684.675
where: short stacking energy: -271.985
Base-Backbone interact. energy: -2.572
local terms energy: -282.519002
where:
bonds (distance) C4'-P energy: -49.928
bonds (distance) P-C4' energy: -50.491
flat angles C4'-P-C4' energy: -57.668
flat angles P-C4'-P energy: -42.989
tors. eta vs tors. theta energy: -81.443
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: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -935.003803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.003803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.003803 (E_RNA)
where:
Base-Base interactions energy: -654.414
where: short stacking energy: -255.580
Base-Backbone interact. energy: -0.601
local terms energy: -279.988583
where:
bonds (distance) C4'-P energy: -41.997
bonds (distance) P-C4' energy: -52.930
flat angles C4'-P-C4' energy: -60.499
flat angles P-C4'-P energy: -42.225
tors. eta vs tors. theta energy: -82.337
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: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -885.160458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.160458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.160458 (E_RNA)
where:
Base-Base interactions energy: -606.733
where: short stacking energy: -249.909
Base-Backbone interact. energy: -2.051
local terms energy: -276.376469
where:
bonds (distance) C4'-P energy: -42.713
bonds (distance) P-C4' energy: -52.502
flat angles C4'-P-C4' energy: -56.696
flat angles P-C4'-P energy: -48.920
tors. eta vs tors. theta energy: -75.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -835.719579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.719579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.719579 (E_RNA)
where:
Base-Base interactions energy: -595.570
where: short stacking energy: -232.944
Base-Backbone interact. energy: -1.847
local terms energy: -238.303039
where:
bonds (distance) C4'-P energy: -48.428
bonds (distance) P-C4' energy: -38.739
flat angles C4'-P-C4' energy: -45.837
flat angles P-C4'-P energy: -34.802
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: 6, replica: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -807.006693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.006693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.006693 (E_RNA)
where:
Base-Base interactions energy: -557.167
where: short stacking energy: -225.624
Base-Backbone interact. energy: -0.124
local terms energy: -249.715378
where:
bonds (distance) C4'-P energy: -44.636
bonds (distance) P-C4' energy: -52.071
flat angles C4'-P-C4' energy: -52.769
flat angles P-C4'-P energy: -39.750
tors. eta vs tors. theta energy: -60.490
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: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -773.055045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.055045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.055045 (E_RNA)
where:
Base-Base interactions energy: -546.408
where: short stacking energy: -213.260
Base-Backbone interact. energy: 0.512
local terms energy: -227.158555
where:
bonds (distance) C4'-P energy: -40.408
bonds (distance) P-C4' energy: -43.919
flat angles C4'-P-C4' energy: -49.495
flat angles P-C4'-P energy: -39.757
tors. eta vs tors. theta energy: -53.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -698.287696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.287696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.287696 (E_RNA)
where:
Base-Base interactions energy: -484.487
where: short stacking energy: -183.011
Base-Backbone interact. energy: 4.540
local terms energy: -218.340588
where:
bonds (distance) C4'-P energy: -49.256
bonds (distance) P-C4' energy: -48.033
flat angles C4'-P-C4' energy: -42.591
flat angles P-C4'-P energy: -31.343
tors. eta vs tors. theta energy: -47.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -713.323431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.323431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.323431 (E_RNA)
where:
Base-Base interactions energy: -500.598
where: short stacking energy: -207.821
Base-Backbone interact. energy: 0.599
local terms energy: -213.324689
where:
bonds (distance) C4'-P energy: -36.685
bonds (distance) P-C4' energy: -31.736
flat angles C4'-P-C4' energy: -54.864
flat angles P-C4'-P energy: -40.748
tors. eta vs tors. theta energy: -49.291
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: 12
Temperature: 1.350000
Total energy: -561.132149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.132149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.132149 (E_RNA)
where:
Base-Base interactions energy: -371.053
where: short stacking energy: -153.368
Base-Backbone interact. energy: -3.664
local terms energy: -186.415457
where:
bonds (distance) C4'-P energy: -39.479
bonds (distance) P-C4' energy: -46.261
flat angles C4'-P-C4' energy: -48.345
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: -29.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -975.918982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.918982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.918982 (E_RNA)
where:
Base-Base interactions energy: -678.828
where: short stacking energy: -279.556
Base-Backbone interact. energy: -1.483
local terms energy: -295.607669
where:
bonds (distance) C4'-P energy: -61.383
bonds (distance) P-C4' energy: -50.134
flat angles C4'-P-C4' energy: -60.916
flat angles P-C4'-P energy: -39.982
tors. eta vs tors. theta energy: -83.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -959.069572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.069572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.069572 (E_RNA)
where:
Base-Base interactions energy: -661.386
where: short stacking energy: -263.136
Base-Backbone interact. energy: -1.679
local terms energy: -296.004252
where:
bonds (distance) C4'-P energy: -54.729
bonds (distance) P-C4' energy: -55.371
flat angles C4'-P-C4' energy: -58.977
flat angles P-C4'-P energy: -43.973
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: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -930.083246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.083246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.083246 (E_RNA)
where:
Base-Base interactions energy: -640.315
where: short stacking energy: -268.722
Base-Backbone interact. energy: -1.021
local terms energy: -288.747429
where:
bonds (distance) C4'-P energy: -47.933
bonds (distance) P-C4' energy: -55.138
flat angles C4'-P-C4' energy: -63.858
flat angles P-C4'-P energy: -36.684
tors. eta vs tors. theta energy: -85.134
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: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -868.144260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.144260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.144260 (E_RNA)
where:
Base-Base interactions energy: -603.097
where: short stacking energy: -250.791
Base-Backbone interact. energy: 1.405
local terms energy: -266.452002
where:
bonds (distance) C4'-P energy: -47.429
bonds (distance) P-C4' energy: -53.841
flat angles C4'-P-C4' energy: -56.469
flat angles P-C4'-P energy: -41.634
tors. eta vs tors. theta energy: -67.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -830.189915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.189915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.189915 (E_RNA)
where:
Base-Base interactions energy: -590.322
where: short stacking energy: -243.317
Base-Backbone interact. energy: 5.313
local terms energy: -245.181149
where:
bonds (distance) C4'-P energy: -53.267
bonds (distance) P-C4' energy: -54.727
flat angles C4'-P-C4' energy: -37.400
flat angles P-C4'-P energy: -29.634
tors. eta vs tors. theta energy: -70.153
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: 6, replica: 5
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -813.971036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.971036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.971036 (E_RNA)
where:
Base-Base interactions energy: -564.574
where: short stacking energy: -239.523
Base-Backbone interact. energy: -1.496
local terms energy: -247.901599
where:
bonds (distance) C4'-P energy: -43.543
bonds (distance) P-C4' energy: -49.044
flat angles C4'-P-C4' energy: -58.783
flat angles P-C4'-P energy: -35.644
tors. eta vs tors. theta energy: -60.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -772.790213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.790213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.790213 (E_RNA)
where:
Base-Base interactions energy: -540.365
where: short stacking energy: -229.246
Base-Backbone interact. energy: -1.001
local terms energy: -231.424053
where:
bonds (distance) C4'-P energy: -47.898
bonds (distance) P-C4' energy: -45.185
flat angles C4'-P-C4' energy: -44.799
flat angles P-C4'-P energy: -35.094
tors. eta vs tors. theta energy: -58.447
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: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -724.787071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.787071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.787071 (E_RNA)
where:
Base-Base interactions energy: -505.003
where: short stacking energy: -198.261
Base-Backbone interact. energy: -1.277
local terms energy: -218.507054
where:
bonds (distance) C4'-P energy: -37.510
bonds (distance) P-C4' energy: -42.338
flat angles C4'-P-C4' energy: -54.768
flat angles P-C4'-P energy: -35.547
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: 7
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -704.480330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.480330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.480330 (E_RNA)
where:
Base-Base interactions energy: -495.871
where: short stacking energy: -188.325
Base-Backbone interact. energy: -1.652
local terms energy: -206.957153
where:
bonds (distance) C4'-P energy: -46.882
bonds (distance) P-C4' energy: -41.632
flat angles C4'-P-C4' energy: -48.571
flat angles P-C4'-P energy: -20.010
tors. eta vs tors. theta energy: -49.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -582.878215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.878215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.878215 (E_RNA)
where:
Base-Base interactions energy: -391.308
where: short stacking energy: -170.198
Base-Backbone interact. energy: 0.466
local terms energy: -192.036242
where:
bonds (distance) C4'-P energy: -37.959
bonds (distance) P-C4' energy: -44.514
flat angles C4'-P-C4' energy: -45.197
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -50.090
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: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -968.782831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.782831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.782831 (E_RNA)
where:
Base-Base interactions energy: -673.750
where: short stacking energy: -255.107
Base-Backbone interact. energy: -2.378
local terms energy: -292.654552
where:
bonds (distance) C4'-P energy: -61.690
bonds (distance) P-C4' energy: -55.472
flat angles C4'-P-C4' energy: -55.956
flat angles P-C4'-P energy: -42.777
tors. eta vs tors. theta energy: -76.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -960.749356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.749356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.749356 (E_RNA)
where:
Base-Base interactions energy: -659.110
where: short stacking energy: -268.366
Base-Backbone interact. energy: -2.025
local terms energy: -299.614740
where:
bonds (distance) C4'-P energy: -46.965
bonds (distance) P-C4' energy: -55.904
flat angles C4'-P-C4' energy: -66.181
flat angles P-C4'-P energy: -49.039
tors. eta vs tors. theta energy: -81.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -935.554380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.554380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.554380 (E_RNA)
where:
Base-Base interactions energy: -651.624
where: short stacking energy: -274.862
Base-Backbone interact. energy: -1.486
local terms energy: -282.444818
where:
bonds (distance) C4'-P energy: -49.757
bonds (distance) P-C4' energy: -56.700
flat angles C4'-P-C4' energy: -55.691
flat angles P-C4'-P energy: -33.743
tors. eta vs tors. theta energy: -86.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -868.563417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.563417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.563417 (E_RNA)
where:
Base-Base interactions energy: -623.449
where: short stacking energy: -250.741
Base-Backbone interact. energy: -2.058
local terms energy: -243.056432
where:
bonds (distance) C4'-P energy: -39.992
bonds (distance) P-C4' energy: -48.919
flat angles C4'-P-C4' energy: -50.643
flat angles P-C4'-P energy: -40.121
tors. eta vs tors. theta energy: -63.382
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: 5, replica: 5
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -840.339797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.339797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.339797 (E_RNA)
where:
Base-Base interactions energy: -590.835
where: short stacking energy: -241.477
Base-Backbone interact. energy: -2.543
local terms energy: -246.961774
where:
bonds (distance) C4'-P energy: -43.994
bonds (distance) P-C4' energy: -41.460
flat angles C4'-P-C4' energy: -52.726
flat angles P-C4'-P energy: -34.531
tors. eta vs tors. theta energy: -74.250
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: 10
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -778.545395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.545395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.545395 (E_RNA)
where:
Base-Base interactions energy: -562.909
where: short stacking energy: -225.342
Base-Backbone interact. energy: -1.003
local terms energy: -214.632954
where:
bonds (distance) C4'-P energy: -39.025
bonds (distance) P-C4' energy: -45.958
flat angles C4'-P-C4' energy: -46.615
flat angles P-C4'-P energy: -24.463
tors. eta vs tors. theta energy: -58.572
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: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -778.317767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.317767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.317767 (E_RNA)
where:
Base-Base interactions energy: -536.805
where: short stacking energy: -215.535
Base-Backbone interact. energy: -0.180
local terms energy: -241.332519
where:
bonds (distance) C4'-P energy: -43.916
bonds (distance) P-C4' energy: -55.435
flat angles C4'-P-C4' energy: -45.936
flat angles P-C4'-P energy: -38.209
tors. eta vs tors. theta energy: -57.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -698.976070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.976070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.976070 (E_RNA)
where:
Base-Base interactions energy: -479.875
where: short stacking energy: -192.615
Base-Backbone interact. energy: -0.121
local terms energy: -218.979943
where:
bonds (distance) C4'-P energy: -52.465
bonds (distance) P-C4' energy: -47.106
flat angles C4'-P-C4' energy: -41.457
flat angles P-C4'-P energy: -37.691
tors. eta vs tors. theta energy: -40.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -689.194849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.194849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.194849 (E_RNA)
where:
Base-Base interactions energy: -468.927
where: short stacking energy: -188.070
Base-Backbone interact. energy: -1.010
local terms energy: -219.258164
where:
bonds (distance) C4'-P energy: -39.517
bonds (distance) P-C4' energy: -50.738
flat angles C4'-P-C4' energy: -49.373
flat angles P-C4'-P energy: -32.434
tors. eta vs tors. theta energy: -47.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -595.457491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.457491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.457491 (E_RNA)
where:
Base-Base interactions energy: -389.460
where: short stacking energy: -173.874
Base-Backbone interact. energy: -1.880
local terms energy: -204.117192
where:
bonds (distance) C4'-P energy: -30.599
bonds (distance) P-C4' energy: -57.891
flat angles C4'-P-C4' energy: -46.129
flat angles P-C4'-P energy: -29.621
tors. eta vs tors. theta energy: -39.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -962.276026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.276026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.276026 (E_RNA)
where:
Base-Base interactions energy: -681.480
where: short stacking energy: -264.080
Base-Backbone interact. energy: -0.328
local terms energy: -280.468822
where:
bonds (distance) C4'-P energy: -47.999
bonds (distance) P-C4' energy: -60.509
flat angles C4'-P-C4' energy: -57.907
flat angles P-C4'-P energy: -34.199
tors. eta vs tors. theta energy: -79.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -980.833393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.833393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.833393 (E_RNA)
where:
Base-Base interactions energy: -661.750
where: short stacking energy: -280.518
Base-Backbone interact. energy: -2.943
local terms energy: -316.141072
where:
bonds (distance) C4'-P energy: -52.979
bonds (distance) P-C4' energy: -62.210
flat angles C4'-P-C4' energy: -63.361
flat angles P-C4'-P energy: -45.541
tors. eta vs tors. theta energy: -92.050
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: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -950.130966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.130966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.130966 (E_RNA)
where:
Base-Base interactions energy: -670.901
where: short stacking energy: -275.135
Base-Backbone interact. energy: -2.718
local terms energy: -276.511783
where:
bonds (distance) C4'-P energy: -46.382
bonds (distance) P-C4' energy: -48.383
flat angles C4'-P-C4' energy: -64.879
flat angles P-C4'-P energy: -40.348
tors. eta vs tors. theta energy: -76.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -881.134924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.134924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.134924 (E_RNA)
where:
Base-Base interactions energy: -630.425
where: short stacking energy: -247.848
Base-Backbone interact. energy: 2.007
local terms energy: -252.717155
where:
bonds (distance) C4'-P energy: -52.551
bonds (distance) P-C4' energy: -44.437
flat angles C4'-P-C4' energy: -57.450
flat angles P-C4'-P energy: -29.900
tors. eta vs tors. theta energy: -68.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -856.288563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.288563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.288563 (E_RNA)
where:
Base-Base interactions energy: -596.838
where: short stacking energy: -242.471
Base-Backbone interact. energy: -1.011
local terms energy: -258.439661
where:
bonds (distance) C4'-P energy: -52.217
bonds (distance) P-C4' energy: -49.569
flat angles C4'-P-C4' energy: -54.907
flat angles P-C4'-P energy: -32.389
tors. eta vs tors. theta energy: -69.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -791.419572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.419572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.419572 (E_RNA)
where:
Base-Base interactions energy: -544.828
where: short stacking energy: -204.991
Base-Backbone interact. energy: 0.236
local terms energy: -246.826900
where:
bonds (distance) C4'-P energy: -49.042
bonds (distance) P-C4' energy: -43.145
flat angles C4'-P-C4' energy: -63.095
flat angles P-C4'-P energy: -32.510
tors. eta vs tors. theta energy: -59.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -742.496560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.496560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.496560 (E_RNA)
where:
Base-Base interactions energy: -524.066
where: short stacking energy: -225.000
Base-Backbone interact. energy: 1.018
local terms energy: -219.448705
where:
bonds (distance) C4'-P energy: -38.777
bonds (distance) P-C4' energy: -52.061
flat angles C4'-P-C4' energy: -48.459
flat angles P-C4'-P energy: -27.059
tors. eta vs tors. theta energy: -53.093
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: 15
Temperature: 1.250000
Total energy: -716.666529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.666529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.666529 (E_RNA)
where:
Base-Base interactions energy: -499.764
where: short stacking energy: -215.726
Base-Backbone interact. energy: -0.911
local terms energy: -215.990873
where:
bonds (distance) C4'-P energy: -35.498
bonds (distance) P-C4' energy: -40.674
flat angles C4'-P-C4' energy: -54.719
flat angles P-C4'-P energy: -37.716
tors. eta vs tors. theta energy: -47.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -668.669704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.669704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.669704 (E_RNA)
where:
Base-Base interactions energy: -458.666
where: short stacking energy: -189.847
Base-Backbone interact. energy: -0.473
local terms energy: -209.530931
where:
bonds (distance) C4'-P energy: -37.656
bonds (distance) P-C4' energy: -51.364
flat angles C4'-P-C4' energy: -45.960
flat angles P-C4'-P energy: -30.414
tors. eta vs tors. theta energy: -44.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -593.634342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.634342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.634342 (E_RNA)
where:
Base-Base interactions energy: -419.039
where: short stacking energy: -181.523
Base-Backbone interact. energy: -2.672
local terms energy: -171.922893
where:
bonds (distance) C4'-P energy: -31.539
bonds (distance) P-C4' energy: -47.639
flat angles C4'-P-C4' energy: -44.678
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -41.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -994.014863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.014863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.014863 (E_RNA)
where:
Base-Base interactions energy: -698.175
where: short stacking energy: -276.727
Base-Backbone interact. energy: -1.038
local terms energy: -294.802127
where:
bonds (distance) C4'-P energy: -52.568
bonds (distance) P-C4' energy: -58.733
flat angles C4'-P-C4' energy: -55.807
flat angles P-C4'-P energy: -41.474
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: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -956.086241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.086241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.086241 (E_RNA)
where:
Base-Base interactions energy: -670.481
where: short stacking energy: -263.932
Base-Backbone interact. energy: -2.562
local terms energy: -283.043521
where:
bonds (distance) C4'-P energy: -45.191
bonds (distance) P-C4' energy: -52.546
flat angles C4'-P-C4' energy: -60.807
flat angles P-C4'-P energy: -42.511
tors. eta vs tors. theta energy: -81.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -927.565374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.565374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.565374 (E_RNA)
where:
Base-Base interactions energy: -652.111
where: short stacking energy: -271.843
Base-Backbone interact. energy: -0.861
local terms energy: -274.593503
where:
bonds (distance) C4'-P energy: -53.134
bonds (distance) P-C4' energy: -47.455
flat angles C4'-P-C4' energy: -57.930
flat angles P-C4'-P energy: -34.480
tors. eta vs tors. theta energy: -81.595
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: 16
Temperature: 1.050000
Total energy: -891.898121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.898121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.898121 (E_RNA)
where:
Base-Base interactions energy: -620.001
where: short stacking energy: -258.470
Base-Backbone interact. energy: 0.485
local terms energy: -272.382181
where:
bonds (distance) C4'-P energy: -45.002
bonds (distance) P-C4' energy: -51.634
flat angles C4'-P-C4' energy: -56.868
flat angles P-C4'-P energy: -45.110
tors. eta vs tors. theta energy: -73.769
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: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -839.554407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.554407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.554407 (E_RNA)
where:
Base-Base interactions energy: -579.029
where: short stacking energy: -241.364
Base-Backbone interact. energy: -1.265
local terms energy: -259.260444
where:
bonds (distance) C4'-P energy: -44.529
bonds (distance) P-C4' energy: -59.451
flat angles C4'-P-C4' energy: -53.007
flat angles P-C4'-P energy: -34.684
tors. eta vs tors. theta energy: -67.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -769.840932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.840932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.840932 (E_RNA)
where:
Base-Base interactions energy: -540.327
where: short stacking energy: -216.761
Base-Backbone interact. energy: -4.154
local terms energy: -225.359548
where:
bonds (distance) C4'-P energy: -40.809
bonds (distance) P-C4' energy: -49.677
flat angles C4'-P-C4' energy: -51.045
flat angles P-C4'-P energy: -31.350
tors. eta vs tors. theta energy: -52.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -735.648555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.648555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.648555 (E_RNA)
where:
Base-Base interactions energy: -501.789
where: short stacking energy: -194.354
Base-Backbone interact. energy: 0.219
local terms energy: -234.078692
where:
bonds (distance) C4'-P energy: -46.705
bonds (distance) P-C4' energy: -53.571
flat angles C4'-P-C4' energy: -55.082
flat angles P-C4'-P energy: -36.085
tors. eta vs tors. theta energy: -42.635
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: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -728.938038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.938038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.938038 (E_RNA)
where:
Base-Base interactions energy: -512.573
where: short stacking energy: -211.978
Base-Backbone interact. energy: -2.185
local terms energy: -214.179785
where:
bonds (distance) C4'-P energy: -35.607
bonds (distance) P-C4' energy: -48.875
flat angles C4'-P-C4' energy: -43.629
flat angles P-C4'-P energy: -32.832
tors. eta vs tors. theta energy: -53.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -697.805834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.805834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.805834 (E_RNA)
where:
Base-Base interactions energy: -486.373
where: short stacking energy: -186.497
Base-Backbone interact. energy: 4.314
local terms energy: -215.746831
where:
bonds (distance) C4'-P energy: -36.818
bonds (distance) P-C4' energy: -38.921
flat angles C4'-P-C4' energy: -53.900
flat angles P-C4'-P energy: -32.640
tors. eta vs tors. theta energy: -53.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -586.914996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.914996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.914996 (E_RNA)
where:
Base-Base interactions energy: -403.200
where: short stacking energy: -190.490
Base-Backbone interact. energy: 0.901
local terms energy: -184.616159
where:
bonds (distance) C4'-P energy: -27.741
bonds (distance) P-C4' energy: -46.424
flat angles C4'-P-C4' energy: -45.806
flat angles P-C4'-P energy: -30.199
tors. eta vs tors. theta energy: -34.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -986.135382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.135382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.135382 (E_RNA)
where:
Base-Base interactions energy: -697.210
where: short stacking energy: -291.407
Base-Backbone interact. energy: -2.808
local terms energy: -286.117162
where:
bonds (distance) C4'-P energy: -46.076
bonds (distance) P-C4' energy: -49.080
flat angles C4'-P-C4' energy: -63.955
flat angles P-C4'-P energy: -41.565
tors. eta vs tors. theta energy: -85.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -947.791103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.791103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.791103 (E_RNA)
where:
Base-Base interactions energy: -668.941
where: short stacking energy: -281.607
Base-Backbone interact. energy: -3.031
local terms energy: -275.818991
where:
bonds (distance) C4'-P energy: -45.741
bonds (distance) P-C4' energy: -46.664
flat angles C4'-P-C4' energy: -53.002
flat angles P-C4'-P energy: -47.517
tors. eta vs tors. theta energy: -82.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -925.594361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.594361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.594361 (E_RNA)
where:
Base-Base interactions energy: -643.761
where: short stacking energy: -257.106
Base-Backbone interact. energy: -1.193
local terms energy: -280.641034
where:
bonds (distance) C4'-P energy: -47.596
bonds (distance) P-C4' energy: -55.646
flat angles C4'-P-C4' energy: -59.006
flat angles P-C4'-P energy: -44.582
tors. eta vs tors. theta energy: -73.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -889.013483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.013483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.013483 (E_RNA)
where:
Base-Base interactions energy: -625.028
where: short stacking energy: -238.845
Base-Backbone interact. energy: -1.504
local terms energy: -262.481181
where:
bonds (distance) C4'-P energy: -54.680
bonds (distance) P-C4' energy: -44.577
flat angles C4'-P-C4' energy: -61.197
flat angles P-C4'-P energy: -35.512
tors. eta vs tors. theta energy: -66.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -869.862004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.862004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.862004 (E_RNA)
where:
Base-Base interactions energy: -581.435
where: short stacking energy: -252.747
Base-Backbone interact. energy: 0.519
local terms energy: -288.946107
where:
bonds (distance) C4'-P energy: -53.074
bonds (distance) P-C4' energy: -54.387
flat angles C4'-P-C4' energy: -58.766
flat angles P-C4'-P energy: -42.927
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: 6, replica: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -775.546506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.546506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.546506 (E_RNA)
where:
Base-Base interactions energy: -506.218
where: short stacking energy: -211.143
Base-Backbone interact. energy: -0.996
local terms energy: -268.332786
where:
bonds (distance) C4'-P energy: -53.082
bonds (distance) P-C4' energy: -55.785
flat angles C4'-P-C4' energy: -54.422
flat angles P-C4'-P energy: -42.217
tors. eta vs tors. theta energy: -62.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -721.290899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.290899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.290899 (E_RNA)
where:
Base-Base interactions energy: -518.167
where: short stacking energy: -197.208
Base-Backbone interact. energy: 3.878
local terms energy: -207.001519
where:
bonds (distance) C4'-P energy: -46.444
bonds (distance) P-C4' energy: -47.370
flat angles C4'-P-C4' energy: -44.638
flat angles P-C4'-P energy: -32.493
tors. eta vs tors. theta energy: -36.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -751.451995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.451995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.451995 (E_RNA)
where:
Base-Base interactions energy: -530.737
where: short stacking energy: -208.116
Base-Backbone interact. energy: -1.259
local terms energy: -219.456284
where:
bonds (distance) C4'-P energy: -45.066
bonds (distance) P-C4' energy: -41.607
flat angles C4'-P-C4' energy: -48.793
flat angles P-C4'-P energy: -37.480
tors. eta vs tors. theta energy: -46.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -699.127405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.127405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.127405 (E_RNA)
where:
Base-Base interactions energy: -488.287
where: short stacking energy: -191.284
Base-Backbone interact. energy: -3.454
local terms energy: -207.386608
where:
bonds (distance) C4'-P energy: -45.672
bonds (distance) P-C4' energy: -37.846
flat angles C4'-P-C4' energy: -44.516
flat angles P-C4'-P energy: -33.304
tors. eta vs tors. theta energy: -46.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -587.216810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.216810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.216810 (E_RNA)
where:
Base-Base interactions energy: -393.887
where: short stacking energy: -155.899
Base-Backbone interact. energy: 0.508
local terms energy: -193.837461
where:
bonds (distance) C4'-P energy: -40.819
bonds (distance) P-C4' energy: -53.708
flat angles C4'-P-C4' energy: -43.771
flat angles P-C4'-P energy: -25.563
tors. eta vs tors. theta energy: -29.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -988.206814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.206814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.206814 (E_RNA)
where:
Base-Base interactions energy: -687.856
where: short stacking energy: -286.681
Base-Backbone interact. energy: -3.999
local terms energy: -296.351186
where:
bonds (distance) C4'-P energy: -55.864
bonds (distance) P-C4' energy: -52.902
flat angles C4'-P-C4' energy: -57.308
flat angles P-C4'-P energy: -40.496
tors. eta vs tors. theta energy: -89.780
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: 18
Temperature: 0.950000
Total energy: -944.537345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.537345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.537345 (E_RNA)
where:
Base-Base interactions energy: -654.682
where: short stacking energy: -269.090
Base-Backbone interact. energy: -0.608
local terms energy: -289.247326
where:
bonds (distance) C4'-P energy: -52.788
bonds (distance) P-C4' energy: -44.947
flat angles C4'-P-C4' energy: -62.857
flat angles P-C4'-P energy: -45.384
tors. eta vs tors. theta energy: -83.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -944.213704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.213704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.213704 (E_RNA)
where:
Base-Base interactions energy: -648.745
where: short stacking energy: -266.430
Base-Backbone interact. energy: -4.306
local terms energy: -291.162520
where:
bonds (distance) C4'-P energy: -53.359
bonds (distance) P-C4' energy: -44.705
flat angles C4'-P-C4' energy: -59.740
flat angles P-C4'-P energy: -50.388
tors. eta vs tors. theta energy: -82.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -836.283485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.283485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.283485 (E_RNA)
where:
Base-Base interactions energy: -579.191
where: short stacking energy: -247.918
Base-Backbone interact. energy: -1.191
local terms energy: -255.901643
where:
bonds (distance) C4'-P energy: -39.921
bonds (distance) P-C4' energy: -47.869
flat angles C4'-P-C4' energy: -55.219
flat angles P-C4'-P energy: -44.088
tors. eta vs tors. theta energy: -68.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -874.722279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.722279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.722279 (E_RNA)
where:
Base-Base interactions energy: -616.433
where: short stacking energy: -257.775
Base-Backbone interact. energy: 1.495
local terms energy: -259.784611
where:
bonds (distance) C4'-P energy: -47.423
bonds (distance) P-C4' energy: -52.240
flat angles C4'-P-C4' energy: -58.055
flat angles P-C4'-P energy: -30.112
tors. eta vs tors. theta energy: -71.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -830.299651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.299651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.299651 (E_RNA)
where:
Base-Base interactions energy: -579.373
where: short stacking energy: -249.861
Base-Backbone interact. energy: -2.508
local terms energy: -248.419084
where:
bonds (distance) C4'-P energy: -46.822
bonds (distance) P-C4' energy: -44.934
flat angles C4'-P-C4' energy: -50.843
flat angles P-C4'-P energy: -32.780
tors. eta vs tors. theta energy: -73.040
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: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -765.272796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.272796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.272796 (E_RNA)
where:
Base-Base interactions energy: -530.221
where: short stacking energy: -217.316
Base-Backbone interact. energy: -1.105
local terms energy: -233.946303
where:
bonds (distance) C4'-P energy: -44.605
bonds (distance) P-C4' energy: -48.438
flat angles C4'-P-C4' energy: -52.415
flat angles P-C4'-P energy: -33.484
tors. eta vs tors. theta energy: -55.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -715.347109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.347109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.347109 (E_RNA)
where:
Base-Base interactions energy: -503.729
where: short stacking energy: -203.878
Base-Backbone interact. energy: -1.483
local terms energy: -210.135011
where:
bonds (distance) C4'-P energy: -38.079
bonds (distance) P-C4' energy: -43.057
flat angles C4'-P-C4' energy: -48.231
flat angles P-C4'-P energy: -31.652
tors. eta vs tors. theta energy: -49.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -595.988255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.988255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.988255 (E_RNA)
where:
Base-Base interactions energy: -388.903
where: short stacking energy: -165.331
Base-Backbone interact. energy: -0.554
local terms energy: -206.531044
where:
bonds (distance) C4'-P energy: -53.440
bonds (distance) P-C4' energy: -43.877
flat angles C4'-P-C4' energy: -40.611
flat angles P-C4'-P energy: -32.876
tors. eta vs tors. theta energy: -35.726
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: 10, replica: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -667.444592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.444592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.444592 (E_RNA)
where:
Base-Base interactions energy: -466.541
where: short stacking energy: -171.344
Base-Backbone interact. energy: -2.353
local terms energy: -198.550571
where:
bonds (distance) C4'-P energy: -36.177
bonds (distance) P-C4' energy: -39.177
flat angles C4'-P-C4' energy: -46.781
flat angles P-C4'-P energy: -27.182
tors. eta vs tors. theta energy: -49.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -995.865392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.865392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.865392 (E_RNA)
where:
Base-Base interactions energy: -695.227
where: short stacking energy: -285.750
Base-Backbone interact. energy: -3.238
local terms energy: -297.399773
where:
bonds (distance) C4'-P energy: -54.075
bonds (distance) P-C4' energy: -48.772
flat angles C4'-P-C4' energy: -61.950
flat angles P-C4'-P energy: -48.838
tors. eta vs tors. theta energy: -83.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -924.297033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.297033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.297033 (E_RNA)
where:
Base-Base interactions energy: -653.026
where: short stacking energy: -262.239
Base-Backbone interact. energy: -2.478
local terms energy: -268.792731
where:
bonds (distance) C4'-P energy: -42.990
bonds (distance) P-C4' energy: -52.951
flat angles C4'-P-C4' energy: -63.789
flat angles P-C4'-P energy: -38.452
tors. eta vs tors. theta energy: -70.612
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: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -916.568093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.568093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.568093 (E_RNA)
where:
Base-Base interactions energy: -640.090
where: short stacking energy: -259.828
Base-Backbone interact. energy: -2.004
local terms energy: -274.473569
where:
bonds (distance) C4'-P energy: -52.928
bonds (distance) P-C4' energy: -46.084
flat angles C4'-P-C4' energy: -62.470
flat angles P-C4'-P energy: -35.793
tors. eta vs tors. theta energy: -77.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -871.564547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.564547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.564547 (E_RNA)
where:
Base-Base interactions energy: -603.330
where: short stacking energy: -253.957
Base-Backbone interact. energy: -0.423
local terms energy: -267.811877
where:
bonds (distance) C4'-P energy: -40.819
bonds (distance) P-C4' energy: -48.556
flat angles C4'-P-C4' energy: -58.692
flat angles P-C4'-P energy: -41.491
tors. eta vs tors. theta energy: -78.255
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: 19
Temperature: 1.100000
Total energy: -831.524698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.524698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.524698 (E_RNA)
where:
Base-Base interactions energy: -570.874
where: short stacking energy: -242.725
Base-Backbone interact. energy: -1.456
local terms energy: -259.194739
where:
bonds (distance) C4'-P energy: -44.910
bonds (distance) P-C4' energy: -44.323
flat angles C4'-P-C4' energy: -56.268
flat angles P-C4'-P energy: -40.329
tors. eta vs tors. theta energy: -73.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -811.776904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.776904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.776904 (E_RNA)
where:
Base-Base interactions energy: -561.649
where: short stacking energy: -229.090
Base-Backbone interact. energy: -1.657
local terms energy: -248.471437
where:
bonds (distance) C4'-P energy: -49.179
bonds (distance) P-C4' energy: -51.859
flat angles C4'-P-C4' energy: -54.927
flat angles P-C4'-P energy: -35.941
tors. eta vs tors. theta energy: -56.565
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: 10
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -744.535228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.535228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.535228 (E_RNA)
where:
Base-Base interactions energy: -525.743
where: short stacking energy: -205.533
Base-Backbone interact. energy: 1.355
local terms energy: -220.147077
where:
bonds (distance) C4'-P energy: -40.202
bonds (distance) P-C4' energy: -39.947
flat angles C4'-P-C4' energy: -55.853
flat angles P-C4'-P energy: -37.159
tors. eta vs tors. theta energy: -46.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -723.407062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.407062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.407062 (E_RNA)
where:
Base-Base interactions energy: -499.494
where: short stacking energy: -187.424
Base-Backbone interact. energy: 0.499
local terms energy: -224.412864
where:
bonds (distance) C4'-P energy: -50.989
bonds (distance) P-C4' energy: -37.121
flat angles C4'-P-C4' energy: -55.755
flat angles P-C4'-P energy: -30.045
tors. eta vs tors. theta energy: -50.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -580.686559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.686559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.686559 (E_RNA)
where:
Base-Base interactions energy: -376.247
where: short stacking energy: -156.715
Base-Backbone interact. energy: 4.296
local terms energy: -208.735765
where:
bonds (distance) C4'-P energy: -40.071
bonds (distance) P-C4' energy: -53.729
flat angles C4'-P-C4' energy: -47.612
flat angles P-C4'-P energy: -28.295
tors. eta vs tors. theta energy: -39.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -696.720331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.720331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.720331 (E_RNA)
where:
Base-Base interactions energy: -490.336
where: short stacking energy: -208.518
Base-Backbone interact. energy: -1.509
local terms energy: -204.875257
where:
bonds (distance) C4'-P energy: -42.512
bonds (distance) P-C4' energy: -47.339
flat angles C4'-P-C4' energy: -43.555
flat angles P-C4'-P energy: -24.432
tors. eta vs tors. theta energy: -47.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -994.728932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.728932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.728932 (E_RNA)
where:
Base-Base interactions energy: -690.896
where: short stacking energy: -284.348
Base-Backbone interact. energy: -2.286
local terms energy: -301.546482
where:
bonds (distance) C4'-P energy: -63.428
bonds (distance) P-C4' energy: -55.873
flat angles C4'-P-C4' energy: -58.200
flat angles P-C4'-P energy: -39.923
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: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -949.466856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.466856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.466856 (E_RNA)
where:
Base-Base interactions energy: -653.590
where: short stacking energy: -268.867
Base-Backbone interact. energy: -1.363
local terms energy: -294.514494
where:
bonds (distance) C4'-P energy: -55.994
bonds (distance) P-C4' energy: -58.794
flat angles C4'-P-C4' energy: -61.207
flat angles P-C4'-P energy: -37.846
tors. eta vs tors. theta energy: -80.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -940.176413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.176413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.176413 (E_RNA)
where:
Base-Base interactions energy: -647.239
where: short stacking energy: -256.913
Base-Backbone interact. energy: -1.934
local terms energy: -291.003747
where:
bonds (distance) C4'-P energy: -58.597
bonds (distance) P-C4' energy: -57.224
flat angles C4'-P-C4' energy: -54.235
flat angles P-C4'-P energy: -42.928
tors. eta vs tors. theta energy: -78.019
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: 20
Temperature: 1.050000
Total energy: -871.007587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.007587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.007587 (E_RNA)
where:
Base-Base interactions energy: -608.672
where: short stacking energy: -250.522
Base-Backbone interact. energy: -2.257
local terms energy: -260.078236
where:
bonds (distance) C4'-P energy: -40.218
bonds (distance) P-C4' energy: -51.666
flat angles C4'-P-C4' energy: -54.767
flat angles P-C4'-P energy: -42.059
tors. eta vs tors. theta energy: -71.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -878.005630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.005630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.005630 (E_RNA)
where:
Base-Base interactions energy: -612.106
where: short stacking energy: -238.963
Base-Backbone interact. energy: -0.780
local terms energy: -265.119552
where:
bonds (distance) C4'-P energy: -52.507
bonds (distance) P-C4' energy: -42.252
flat angles C4'-P-C4' energy: -61.747
flat angles P-C4'-P energy: -37.805
tors. eta vs tors. theta energy: -70.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -824.793093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.793093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.793093 (E_RNA)
where:
Base-Base interactions energy: -578.752
where: short stacking energy: -240.638
Base-Backbone interact. energy: -1.183
local terms energy: -244.858238
where:
bonds (distance) C4'-P energy: -56.294
bonds (distance) P-C4' energy: -48.674
flat angles C4'-P-C4' energy: -57.299
flat angles P-C4'-P energy: -21.454
tors. eta vs tors. theta energy: -61.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -719.402133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.402133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.402133 (E_RNA)
where:
Base-Base interactions energy: -501.585
where: short stacking energy: -187.090
Base-Backbone interact. energy: -0.480
local terms energy: -217.337037
where:
bonds (distance) C4'-P energy: -47.707
bonds (distance) P-C4' energy: -51.612
flat angles C4'-P-C4' energy: -42.235
flat angles P-C4'-P energy: -34.106
tors. eta vs tors. theta energy: -41.678
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: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -783.657010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.657010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.657010 (E_RNA)
where:
Base-Base interactions energy: -564.189
where: short stacking energy: -211.909
Base-Backbone interact. energy: 2.069
local terms energy: -221.537690
where:
bonds (distance) C4'-P energy: -46.847
bonds (distance) P-C4' energy: -35.140
flat angles C4'-P-C4' energy: -47.568
flat angles P-C4'-P energy: -30.840
tors. eta vs tors. theta energy: -61.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -690.377870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.377870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.377870 (E_RNA)
where:
Base-Base interactions energy: -478.409
where: short stacking energy: -209.755
Base-Backbone interact. energy: -1.335
local terms energy: -210.633270
where:
bonds (distance) C4'-P energy: -45.716
bonds (distance) P-C4' energy: -35.001
flat angles C4'-P-C4' energy: -45.586
flat angles P-C4'-P energy: -32.167
tors. eta vs tors. theta energy: -52.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -574.148051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.148051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.148051 (E_RNA)
where:
Base-Base interactions energy: -380.055
where: short stacking energy: -170.444
Base-Backbone interact. energy: 0.880
local terms energy: -194.973642
where:
bonds (distance) C4'-P energy: -31.891
bonds (distance) P-C4' energy: -56.160
flat angles C4'-P-C4' energy: -38.723
flat angles P-C4'-P energy: -32.359
tors. eta vs tors. theta energy: -35.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -983.428906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.428906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.428906 (E_RNA)
where:
Base-Base interactions energy: -696.863
where: short stacking energy: -287.233
Base-Backbone interact. energy: -0.936
local terms energy: -285.629755
where:
bonds (distance) C4'-P energy: -44.123
bonds (distance) P-C4' energy: -57.328
flat angles C4'-P-C4' energy: -58.323
flat angles P-C4'-P energy: -43.427
tors. eta vs tors. theta energy: -82.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -945.002036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.002036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.002036 (E_RNA)
where:
Base-Base interactions energy: -654.392
where: short stacking energy: -244.823
Base-Backbone interact. energy: -0.955
local terms energy: -289.655498
where:
bonds (distance) C4'-P energy: -64.788
bonds (distance) P-C4' energy: -61.124
flat angles C4'-P-C4' energy: -52.682
flat angles P-C4'-P energy: -39.655
tors. eta vs tors. theta energy: -71.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -922.889283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.889283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.889283 (E_RNA)
where:
Base-Base interactions energy: -657.255
where: short stacking energy: -269.503
Base-Backbone interact. energy: -1.354
local terms energy: -264.280580
where:
bonds (distance) C4'-P energy: -39.563
bonds (distance) P-C4' energy: -47.168
flat angles C4'-P-C4' energy: -56.039
flat angles P-C4'-P energy: -45.123
tors. eta vs tors. theta energy: -76.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -874.398465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.398465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.398465 (E_RNA)
where:
Base-Base interactions energy: -604.620
where: short stacking energy: -272.492
Base-Backbone interact. energy: -1.504
local terms energy: -268.274575
where:
bonds (distance) C4'-P energy: -38.000
bonds (distance) P-C4' energy: -48.771
flat angles C4'-P-C4' energy: -64.665
flat angles P-C4'-P energy: -38.414
tors. eta vs tors. theta energy: -78.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -862.642955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.642955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.642955 (E_RNA)
where:
Base-Base interactions energy: -606.164
where: short stacking energy: -245.993
Base-Backbone interact. energy: -2.886
local terms energy: -253.592656
where:
bonds (distance) C4'-P energy: -45.585
bonds (distance) P-C4' energy: -42.305
flat angles C4'-P-C4' energy: -52.960
flat angles P-C4'-P energy: -42.901
tors. eta vs tors. theta energy: -69.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -761.708346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.708346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.708346 (E_RNA)
where:
Base-Base interactions energy: -547.016
where: short stacking energy: -213.785
Base-Backbone interact. energy: -0.620
local terms energy: -214.072264
where:
bonds (distance) C4'-P energy: -45.090
bonds (distance) P-C4' energy: -43.236
flat angles C4'-P-C4' energy: -51.086
flat angles P-C4'-P energy: -21.057
tors. eta vs tors. theta energy: -53.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -785.177856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.177856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.177856 (E_RNA)
where:
Base-Base interactions energy: -551.599
where: short stacking energy: -212.410
Base-Backbone interact. energy: -1.566
local terms energy: -232.012261
where:
bonds (distance) C4'-P energy: -45.506
bonds (distance) P-C4' energy: -45.496
flat angles C4'-P-C4' energy: -52.677
flat angles P-C4'-P energy: -29.211
tors. eta vs tors. theta energy: -59.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -722.727047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.727047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.727047 (E_RNA)
where:
Base-Base interactions energy: -508.775
where: short stacking energy: -212.477
Base-Backbone interact. energy: -1.515
local terms energy: -212.436327
where:
bonds (distance) C4'-P energy: -37.536
bonds (distance) P-C4' energy: -35.737
flat angles C4'-P-C4' energy: -52.065
flat angles P-C4'-P energy: -22.515
tors. eta vs tors. theta energy: -64.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -698.733988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.733988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.733988 (E_RNA)
where:
Base-Base interactions energy: -501.041
where: short stacking energy: -191.778
Base-Backbone interact. energy: 1.691
local terms energy: -199.383382
where:
bonds (distance) C4'-P energy: -44.339
bonds (distance) P-C4' energy: -46.630
flat angles C4'-P-C4' energy: -47.611
flat angles P-C4'-P energy: -22.922
tors. eta vs tors. theta energy: -37.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -596.059759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.059759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.059759 (E_RNA)
where:
Base-Base interactions energy: -383.671
where: short stacking energy: -163.498
Base-Backbone interact. energy: -0.331
local terms energy: -212.058093
where:
bonds (distance) C4'-P energy: -43.516
bonds (distance) P-C4' energy: -48.448
flat angles C4'-P-C4' energy: -54.511
flat angles P-C4'-P energy: -34.037
tors. eta vs tors. theta energy: -31.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -993.166517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.166517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.166517 (E_RNA)
where:
Base-Base interactions energy: -683.258
where: short stacking energy: -274.342
Base-Backbone interact. energy: -1.948
local terms energy: -307.960123
where:
bonds (distance) C4'-P energy: -53.288
bonds (distance) P-C4' energy: -57.857
flat angles C4'-P-C4' energy: -64.348
flat angles P-C4'-P energy: -41.687
tors. eta vs tors. theta energy: -90.780
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: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -935.789072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.789072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.789072 (E_RNA)
where:
Base-Base interactions energy: -670.242
where: short stacking energy: -250.304
Base-Backbone interact. energy: -2.200
local terms energy: -263.347170
where:
bonds (distance) C4'-P energy: -39.911
bonds (distance) P-C4' energy: -48.221
flat angles C4'-P-C4' energy: -57.160
flat angles P-C4'-P energy: -38.912
tors. eta vs tors. theta energy: -79.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -928.319166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.319166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.319166 (E_RNA)
where:
Base-Base interactions energy: -651.701
where: short stacking energy: -265.769
Base-Backbone interact. energy: -3.668
local terms energy: -272.950239
where:
bonds (distance) C4'-P energy: -52.052
bonds (distance) P-C4' energy: -52.820
flat angles C4'-P-C4' energy: -54.825
flat angles P-C4'-P energy: -31.424
tors. eta vs tors. theta energy: -81.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -879.924753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.924753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.924753 (E_RNA)
where:
Base-Base interactions energy: -613.455
where: short stacking energy: -253.787
Base-Backbone interact. energy: -1.780
local terms energy: -264.689057
where:
bonds (distance) C4'-P energy: -47.209
bonds (distance) P-C4' energy: -56.203
flat angles C4'-P-C4' energy: -53.770
flat angles P-C4'-P energy: -37.387
tors. eta vs tors. theta energy: -70.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -838.646895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.646895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.646895 (E_RNA)
where:
Base-Base interactions energy: -583.244
where: short stacking energy: -215.437
Base-Backbone interact. energy: -1.758
local terms energy: -253.645075
where:
bonds (distance) C4'-P energy: -51.810
bonds (distance) P-C4' energy: -47.711
flat angles C4'-P-C4' energy: -52.999
flat angles P-C4'-P energy: -33.693
tors. eta vs tors. theta energy: -67.432
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: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -774.326549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.326549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.326549 (E_RNA)
where:
Base-Base interactions energy: -541.292
where: short stacking energy: -202.859
Base-Backbone interact. energy: -0.567
local terms energy: -232.467338
where:
bonds (distance) C4'-P energy: -41.695
bonds (distance) P-C4' energy: -46.115
flat angles C4'-P-C4' energy: -58.831
flat angles P-C4'-P energy: -33.431
tors. eta vs tors. theta energy: -52.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -791.284684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.284684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.284684 (E_RNA)
where:
Base-Base interactions energy: -554.472
where: short stacking energy: -214.758
Base-Backbone interact. energy: 2.695
local terms energy: -239.507744
where:
bonds (distance) C4'-P energy: -39.505
bonds (distance) P-C4' energy: -52.249
flat angles C4'-P-C4' energy: -55.409
flat angles P-C4'-P energy: -32.428
tors. eta vs tors. theta energy: -59.917
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: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -733.952847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.952847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.952847 (E_RNA)
where:
Base-Base interactions energy: -490.460
where: short stacking energy: -187.131
Base-Backbone interact. energy: -0.630
local terms energy: -242.863238
where:
bonds (distance) C4'-P energy: -37.290
bonds (distance) P-C4' energy: -56.430
flat angles C4'-P-C4' energy: -53.402
flat angles P-C4'-P energy: -37.770
tors. eta vs tors. theta energy: -57.971
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: 22
Temperature: 1.300000
Total energy: -675.050511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.050511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.050511 (E_RNA)
where:
Base-Base interactions energy: -473.097
where: short stacking energy: -183.632
Base-Backbone interact. energy: -1.714
local terms energy: -200.238758
where:
bonds (distance) C4'-P energy: -42.389
bonds (distance) P-C4' energy: -44.303
flat angles C4'-P-C4' energy: -42.243
flat angles P-C4'-P energy: -36.306
tors. eta vs tors. theta energy: -34.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -566.669254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.669254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.669254 (E_RNA)
where:
Base-Base interactions energy: -375.242
where: short stacking energy: -167.750
Base-Backbone interact. energy: -0.739
local terms energy: -190.688467
where:
bonds (distance) C4'-P energy: -36.883
bonds (distance) P-C4' energy: -50.411
flat angles C4'-P-C4' energy: -45.251
flat angles P-C4'-P energy: -28.210
tors. eta vs tors. theta energy: -29.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -993.046335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.046335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.046335 (E_RNA)
where:
Base-Base interactions energy: -697.639
where: short stacking energy: -290.817
Base-Backbone interact. energy: 2.997
local terms energy: -298.404259
where:
bonds (distance) C4'-P energy: -52.964
bonds (distance) P-C4' energy: -48.554
flat angles C4'-P-C4' energy: -62.171
flat angles P-C4'-P energy: -44.010
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: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -937.891026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.891026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.891026 (E_RNA)
where:
Base-Base interactions energy: -657.584
where: short stacking energy: -250.146
Base-Backbone interact. energy: -2.567
local terms energy: -277.740230
where:
bonds (distance) C4'-P energy: -56.866
bonds (distance) P-C4' energy: -44.774
flat angles C4'-P-C4' energy: -65.506
flat angles P-C4'-P energy: -35.701
tors. eta vs tors. theta energy: -74.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -910.477711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.477711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.477711 (E_RNA)
where:
Base-Base interactions energy: -631.123
where: short stacking energy: -249.826
Base-Backbone interact. energy: -1.991
local terms energy: -277.363990
where:
bonds (distance) C4'-P energy: -49.399
bonds (distance) P-C4' energy: -51.035
flat angles C4'-P-C4' energy: -54.771
flat angles P-C4'-P energy: -48.895
tors. eta vs tors. theta energy: -73.264
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: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -867.006212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.006212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.006212 (E_RNA)
where:
Base-Base interactions energy: -613.603
where: short stacking energy: -254.070
Base-Backbone interact. energy: 1.012
local terms energy: -254.414766
where:
bonds (distance) C4'-P energy: -49.076
bonds (distance) P-C4' energy: -48.166
flat angles C4'-P-C4' energy: -55.121
flat angles P-C4'-P energy: -38.638
tors. eta vs tors. theta energy: -63.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -826.909275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.909275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.909275 (E_RNA)
where:
Base-Base interactions energy: -562.745
where: short stacking energy: -231.030
Base-Backbone interact. energy: 0.154
local terms energy: -264.317729
where:
bonds (distance) C4'-P energy: -46.435
bonds (distance) P-C4' energy: -53.472
flat angles C4'-P-C4' energy: -58.090
flat angles P-C4'-P energy: -36.520
tors. eta vs tors. theta energy: -69.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -835.386930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.386930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.386930 (E_RNA)
where:
Base-Base interactions energy: -591.035
where: short stacking energy: -244.266
Base-Backbone interact. energy: -0.828
local terms energy: -243.524664
where:
bonds (distance) C4'-P energy: -51.988
bonds (distance) P-C4' energy: -40.978
flat angles C4'-P-C4' energy: -40.644
flat angles P-C4'-P energy: -35.926
tors. eta vs tors. theta energy: -73.989
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: 23
Temperature: 1.200000
Total energy: -737.128041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.128041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.128041 (E_RNA)
where:
Base-Base interactions energy: -506.388
where: short stacking energy: -201.474
Base-Backbone interact. energy: -0.605
local terms energy: -230.135033
where:
bonds (distance) C4'-P energy: -47.995
bonds (distance) P-C4' energy: -47.005
flat angles C4'-P-C4' energy: -50.137
flat angles P-C4'-P energy: -36.613
tors. eta vs tors. theta energy: -48.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -716.374809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.374809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.374809 (E_RNA)
where:
Base-Base interactions energy: -486.948
where: short stacking energy: -187.493
Base-Backbone interact. energy: -1.217
local terms energy: -228.209263
where:
bonds (distance) C4'-P energy: -45.879
bonds (distance) P-C4' energy: -55.167
flat angles C4'-P-C4' energy: -50.389
flat angles P-C4'-P energy: -27.766
tors. eta vs tors. theta energy: -49.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -701.412038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.412038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.412038 (E_RNA)
where:
Base-Base interactions energy: -502.430
where: short stacking energy: -191.640
Base-Backbone interact. energy: 2.121
local terms energy: -201.103559
where:
bonds (distance) C4'-P energy: -35.641
bonds (distance) P-C4' energy: -43.852
flat angles C4'-P-C4' energy: -46.472
flat angles P-C4'-P energy: -29.150
tors. eta vs tors. theta energy: -45.989
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: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -550.606113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.606113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.606113 (E_RNA)
where:
Base-Base interactions energy: -360.377
where: short stacking energy: -157.759
Base-Backbone interact. energy: -1.388
local terms energy: -188.841929
where:
bonds (distance) C4'-P energy: -41.062
bonds (distance) P-C4' energy: -44.322
flat angles C4'-P-C4' energy: -41.069
flat angles P-C4'-P energy: -31.359
tors. eta vs tors. theta energy: -31.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -999.357537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.357537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.357537 (E_RNA)
where:
Base-Base interactions energy: -710.405
where: short stacking energy: -282.019
Base-Backbone interact. energy: -1.816
local terms energy: -287.136493
where:
bonds (distance) C4'-P energy: -53.646
bonds (distance) P-C4' energy: -49.597
flat angles C4'-P-C4' energy: -63.462
flat angles P-C4'-P energy: -36.094
tors. eta vs tors. theta energy: -84.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -978.744032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.744032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.744032 (E_RNA)
where:
Base-Base interactions energy: -702.283
where: short stacking energy: -278.151
Base-Backbone interact. energy: -1.371
local terms energy: -275.090071
where:
bonds (distance) C4'-P energy: -49.013
bonds (distance) P-C4' energy: -42.069
flat angles C4'-P-C4' energy: -61.580
flat angles P-C4'-P energy: -45.060
tors. eta vs tors. theta energy: -77.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -917.126325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.126325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.126325 (E_RNA)
where:
Base-Base interactions energy: -650.997
where: short stacking energy: -258.264
Base-Backbone interact. energy: -1.531
local terms energy: -264.597947
where:
bonds (distance) C4'-P energy: -39.081
bonds (distance) P-C4' energy: -56.547
flat angles C4'-P-C4' energy: -54.436
flat angles P-C4'-P energy: -42.758
tors. eta vs tors. theta energy: -71.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -843.622561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.622561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.622561 (E_RNA)
where:
Base-Base interactions energy: -595.518
where: short stacking energy: -245.035
Base-Backbone interact. energy: -0.486
local terms energy: -247.618020
where:
bonds (distance) C4'-P energy: -43.130
bonds (distance) P-C4' energy: -45.534
flat angles C4'-P-C4' energy: -56.016
flat angles P-C4'-P energy: -37.370
tors. eta vs tors. theta energy: -65.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -858.798219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.798219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.798219 (E_RNA)
where:
Base-Base interactions energy: -604.522
where: short stacking energy: -246.088
Base-Backbone interact. energy: -1.218
local terms energy: -253.058054
where:
bonds (distance) C4'-P energy: -47.799
bonds (distance) P-C4' energy: -52.209
flat angles C4'-P-C4' energy: -49.492
flat angles P-C4'-P energy: -35.748
tors. eta vs tors. theta energy: -67.810
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: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -793.698458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.698458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.698458 (E_RNA)
where:
Base-Base interactions energy: -547.914
where: short stacking energy: -234.863
Base-Backbone interact. energy: 3.842
local terms energy: -249.626214
where:
bonds (distance) C4'-P energy: -47.313
bonds (distance) P-C4' energy: -45.238
flat angles C4'-P-C4' energy: -52.555
flat angles P-C4'-P energy: -43.656
tors. eta vs tors. theta energy: -60.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -785.705363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.705363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.705363 (E_RNA)
where:
Base-Base interactions energy: -531.037
where: short stacking energy: -218.452
Base-Backbone interact. energy: -0.518
local terms energy: -254.150494
where:
bonds (distance) C4'-P energy: -56.684
bonds (distance) P-C4' energy: -48.028
flat angles C4'-P-C4' energy: -52.325
flat angles P-C4'-P energy: -35.498
tors. eta vs tors. theta energy: -61.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -697.357186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.357186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.357186 (E_RNA)
where:
Base-Base interactions energy: -484.879
where: short stacking energy: -206.336
Base-Backbone interact. energy: -0.584
local terms energy: -211.893604
where:
bonds (distance) C4'-P energy: -45.624
bonds (distance) P-C4' energy: -43.913
flat angles C4'-P-C4' energy: -43.020
flat angles P-C4'-P energy: -34.083
tors. eta vs tors. theta energy: -45.254
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: 24
Temperature: 1.300000
Total energy: -680.786830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.786830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.786830 (E_RNA)
where:
Base-Base interactions energy: -468.214
where: short stacking energy: -182.581
Base-Backbone interact. energy: -0.130
local terms energy: -212.442949
where:
bonds (distance) C4'-P energy: -50.015
bonds (distance) P-C4' energy: -43.641
flat angles C4'-P-C4' energy: -53.889
flat angles P-C4'-P energy: -27.765
tors. eta vs tors. theta energy: -37.134
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: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -531.390875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.390875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.390875 (E_RNA)
where:
Base-Base interactions energy: -338.468
where: short stacking energy: -137.112
Base-Backbone interact. energy: -0.454
local terms energy: -192.468970
where:
bonds (distance) C4'-P energy: -38.262
bonds (distance) P-C4' energy: -47.520
flat angles C4'-P-C4' energy: -41.349
flat angles P-C4'-P energy: -38.644
tors. eta vs tors. theta energy: -26.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -985.650051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.650051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.650051 (E_RNA)
where:
Base-Base interactions energy: -687.746
where: short stacking energy: -288.563
Base-Backbone interact. energy: -2.281
local terms energy: -295.622362
where:
bonds (distance) C4'-P energy: -63.601
bonds (distance) P-C4' energy: -47.032
flat angles C4'-P-C4' energy: -56.051
flat angles P-C4'-P energy: -40.589
tors. eta vs tors. theta energy: -88.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -964.792849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.792849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.792849 (E_RNA)
where:
Base-Base interactions energy: -669.108
where: short stacking energy: -268.711
Base-Backbone interact. energy: -2.347
local terms energy: -293.338064
where:
bonds (distance) C4'-P energy: -59.524
bonds (distance) P-C4' energy: -58.451
flat angles C4'-P-C4' energy: -64.947
flat angles P-C4'-P energy: -35.696
tors. eta vs tors. theta energy: -74.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -923.803531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.803531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.803531 (E_RNA)
where:
Base-Base interactions energy: -643.411
where: short stacking energy: -251.576
Base-Backbone interact. energy: -2.426
local terms energy: -277.967140
where:
bonds (distance) C4'-P energy: -49.465
bonds (distance) P-C4' energy: -51.659
flat angles C4'-P-C4' energy: -62.278
flat angles P-C4'-P energy: -41.095
tors. eta vs tors. theta energy: -73.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -902.581149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.581149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.581149 (E_RNA)
where:
Base-Base interactions energy: -632.257
where: short stacking energy: -246.258
Base-Backbone interact. energy: -1.289
local terms energy: -269.034935
where:
bonds (distance) C4'-P energy: -55.643
bonds (distance) P-C4' energy: -47.272
flat angles C4'-P-C4' energy: -49.818
flat angles P-C4'-P energy: -45.205
tors. eta vs tors. theta energy: -71.096
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: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -821.433711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.433711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.433711 (E_RNA)
where:
Base-Base interactions energy: -564.893
where: short stacking energy: -236.857
Base-Backbone interact. energy: -0.631
local terms energy: -255.909658
where:
bonds (distance) C4'-P energy: -37.390
bonds (distance) P-C4' energy: -50.082
flat angles C4'-P-C4' energy: -59.564
flat angles P-C4'-P energy: -42.220
tors. eta vs tors. theta energy: -66.653
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: 25
Temperature: 1.150000
Total energy: -789.173882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.173882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.173882 (E_RNA)
where:
Base-Base interactions energy: -546.916
where: short stacking energy: -216.378
Base-Backbone interact. energy: 3.728
local terms energy: -245.986093
where:
bonds (distance) C4'-P energy: -49.919
bonds (distance) P-C4' energy: -52.191
flat angles C4'-P-C4' energy: -51.567
flat angles P-C4'-P energy: -34.046
tors. eta vs tors. theta energy: -58.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -763.061406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.061406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.061406 (E_RNA)
where:
Base-Base interactions energy: -521.366
where: short stacking energy: -221.323
Base-Backbone interact. energy: -0.180
local terms energy: -241.515946
where:
bonds (distance) C4'-P energy: -53.052
bonds (distance) P-C4' energy: -43.988
flat angles C4'-P-C4' energy: -46.072
flat angles P-C4'-P energy: -37.841
tors. eta vs tors. theta energy: -60.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -708.824355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.824355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.824355 (E_RNA)
where:
Base-Base interactions energy: -488.676
where: short stacking energy: -186.333
Base-Backbone interact. energy: -0.989
local terms energy: -219.159201
where:
bonds (distance) C4'-P energy: -46.715
bonds (distance) P-C4' energy: -47.224
flat angles C4'-P-C4' energy: -46.098
flat angles P-C4'-P energy: -39.605
tors. eta vs tors. theta energy: -39.517
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: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -679.495426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.495426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.495426 (E_RNA)
where:
Base-Base interactions energy: -465.575
where: short stacking energy: -178.477
Base-Backbone interact. energy: 1.469
local terms energy: -215.389120
where:
bonds (distance) C4'-P energy: -37.215
bonds (distance) P-C4' energy: -48.990
flat angles C4'-P-C4' energy: -45.899
flat angles P-C4'-P energy: -37.616
tors. eta vs tors. theta energy: -45.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -531.007388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.007388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.007388 (E_RNA)
where:
Base-Base interactions energy: -348.590
where: short stacking energy: -143.595
Base-Backbone interact. energy: -0.088
local terms energy: -182.328967
where:
bonds (distance) C4'-P energy: -42.724
bonds (distance) P-C4' energy: -41.668
flat angles C4'-P-C4' energy: -54.359
flat angles P-C4'-P energy: -24.011
tors. eta vs tors. theta energy: -19.567
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: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -979.312933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.312933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.312933 (E_RNA)
where:
Base-Base interactions energy: -681.524
where: short stacking energy: -269.460
Base-Backbone interact. energy: 0.118
local terms energy: -297.906676
where:
bonds (distance) C4'-P energy: -58.863
bonds (distance) P-C4' energy: -54.747
flat angles C4'-P-C4' energy: -64.399
flat angles P-C4'-P energy: -38.536
tors. eta vs tors. theta energy: -81.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -949.756155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.756155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.756155 (E_RNA)
where:
Base-Base interactions energy: -659.669
where: short stacking energy: -279.970
Base-Backbone interact. energy: -1.742
local terms energy: -288.345385
where:
bonds (distance) C4'-P energy: -53.264
bonds (distance) P-C4' energy: -58.316
flat angles C4'-P-C4' energy: -50.184
flat angles P-C4'-P energy: -45.728
tors. eta vs tors. theta energy: -80.853
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: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -941.990222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.990222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.990222 (E_RNA)
where:
Base-Base interactions energy: -659.553
where: short stacking energy: -260.358
Base-Backbone interact. energy: -2.204
local terms energy: -280.232838
where:
bonds (distance) C4'-P energy: -52.363
bonds (distance) P-C4' energy: -53.308
flat angles C4'-P-C4' energy: -58.262
flat angles P-C4'-P energy: -38.226
tors. eta vs tors. theta energy: -78.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -851.190121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.190121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.190121 (E_RNA)
where:
Base-Base interactions energy: -600.273
where: short stacking energy: -250.331
Base-Backbone interact. energy: -1.336
local terms energy: -249.580984
where:
bonds (distance) C4'-P energy: -53.297
bonds (distance) P-C4' energy: -51.459
flat angles C4'-P-C4' energy: -50.749
flat angles P-C4'-P energy: -29.710
tors. eta vs tors. theta energy: -64.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -795.977670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.977670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.977670 (E_RNA)
where:
Base-Base interactions energy: -562.478
where: short stacking energy: -237.565
Base-Backbone interact. energy: 0.724
local terms energy: -234.223748
where:
bonds (distance) C4'-P energy: -43.213
bonds (distance) P-C4' energy: -43.647
flat angles C4'-P-C4' energy: -51.410
flat angles P-C4'-P energy: -35.843
tors. eta vs tors. theta energy: -60.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -793.347379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.347379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.347379 (E_RNA)
where:
Base-Base interactions energy: -559.739
where: short stacking energy: -218.828
Base-Backbone interact. energy: -0.184
local terms energy: -233.423797
where:
bonds (distance) C4'-P energy: -53.615
bonds (distance) P-C4' energy: -43.085
flat angles C4'-P-C4' energy: -43.605
flat angles P-C4'-P energy: -32.518
tors. eta vs tors. theta energy: -60.601
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: 5
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -793.498378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.498378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.498378 (E_RNA)
where:
Base-Base interactions energy: -553.254
where: short stacking energy: -232.467
Base-Backbone interact. energy: -0.398
local terms energy: -239.846270
where:
bonds (distance) C4'-P energy: -47.779
bonds (distance) P-C4' energy: -42.649
flat angles C4'-P-C4' energy: -51.526
flat angles P-C4'-P energy: -34.222
tors. eta vs tors. theta energy: -63.670
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: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -707.235559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.235559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.235559 (E_RNA)
where:
Base-Base interactions energy: -497.777
where: short stacking energy: -189.459
Base-Backbone interact. energy: 1.067
local terms energy: -210.525107
where:
bonds (distance) C4'-P energy: -43.742
bonds (distance) P-C4' energy: -54.083
flat angles C4'-P-C4' energy: -50.679
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -41.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -665.075476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.075476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.075476 (E_RNA)
where:
Base-Base interactions energy: -482.190
where: short stacking energy: -183.719
Base-Backbone interact. energy: -0.851
local terms energy: -182.034101
where:
bonds (distance) C4'-P energy: -36.247
bonds (distance) P-C4' energy: -41.379
flat angles C4'-P-C4' energy: -37.992
flat angles P-C4'-P energy: -31.041
tors. eta vs tors. theta energy: -35.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -503.081345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.081345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.081345 (E_RNA)
where:
Base-Base interactions energy: -324.698
where: short stacking energy: -142.831
Base-Backbone interact. energy: 0.225
local terms energy: -178.608987
where:
bonds (distance) C4'-P energy: -46.835
bonds (distance) P-C4' energy: -49.936
flat angles C4'-P-C4' energy: -44.651
flat angles P-C4'-P energy: -18.387
tors. eta vs tors. theta energy: -18.800
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: 1, replica: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -959.538388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.538388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.538388 (E_RNA)
where:
Base-Base interactions energy: -679.819
where: short stacking energy: -272.254
Base-Backbone interact. energy: -1.728
local terms energy: -277.991383
where:
bonds (distance) C4'-P energy: -46.532
bonds (distance) P-C4' energy: -53.139
flat angles C4'-P-C4' energy: -52.864
flat angles P-C4'-P energy: -45.168
tors. eta vs tors. theta energy: -80.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -957.076062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.076062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.076062 (E_RNA)
where:
Base-Base interactions energy: -680.446
where: short stacking energy: -275.408
Base-Backbone interact. energy: -2.348
local terms energy: -274.281946
where:
bonds (distance) C4'-P energy: -47.225
bonds (distance) P-C4' energy: -47.591
flat angles C4'-P-C4' energy: -60.557
flat angles P-C4'-P energy: -40.975
tors. eta vs tors. theta energy: -77.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -935.812496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.812496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.812496 (E_RNA)
where:
Base-Base interactions energy: -662.942
where: short stacking energy: -264.577
Base-Backbone interact. energy: -2.845
local terms energy: -270.025202
where:
bonds (distance) C4'-P energy: -47.860
bonds (distance) P-C4' energy: -41.700
flat angles C4'-P-C4' energy: -65.055
flat angles P-C4'-P energy: -33.095
tors. eta vs tors. theta energy: -82.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -861.149713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.149713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.149713 (E_RNA)
where:
Base-Base interactions energy: -599.497
where: short stacking energy: -241.842
Base-Backbone interact. energy: -2.004
local terms energy: -259.648550
where:
bonds (distance) C4'-P energy: -44.052
bonds (distance) P-C4' energy: -43.936
flat angles C4'-P-C4' energy: -61.941
flat angles P-C4'-P energy: -39.661
tors. eta vs tors. theta energy: -70.057
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: 5, replica: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -825.037620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.037620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.037620 (E_RNA)
where:
Base-Base interactions energy: -586.250
where: short stacking energy: -242.619
Base-Backbone interact. energy: 3.206
local terms energy: -241.993865
where:
bonds (distance) C4'-P energy: -45.632
bonds (distance) P-C4' energy: -53.858
flat angles C4'-P-C4' energy: -52.536
flat angles P-C4'-P energy: -30.199
tors. eta vs tors. theta energy: -59.769
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: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -784.930787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.930787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.930787 (E_RNA)
where:
Base-Base interactions energy: -541.648
where: short stacking energy: -217.990
Base-Backbone interact. energy: -2.013
local terms energy: -241.268990
where:
bonds (distance) C4'-P energy: -41.662
bonds (distance) P-C4' energy: -47.509
flat angles C4'-P-C4' energy: -59.527
flat angles P-C4'-P energy: -35.295
tors. eta vs tors. theta energy: -57.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -750.196121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.196121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.196121 (E_RNA)
where:
Base-Base interactions energy: -524.017
where: short stacking energy: -217.255
Base-Backbone interact. energy: -3.027
local terms energy: -223.152160
where:
bonds (distance) C4'-P energy: -41.529
bonds (distance) P-C4' energy: -46.609
flat angles C4'-P-C4' energy: -40.980
flat angles P-C4'-P energy: -28.934
tors. eta vs tors. theta energy: -65.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -704.020358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.020358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.020358 (E_RNA)
where:
Base-Base interactions energy: -496.772
where: short stacking energy: -204.088
Base-Backbone interact. energy: -0.771
local terms energy: -206.477298
where:
bonds (distance) C4'-P energy: -38.378
bonds (distance) P-C4' energy: -41.887
flat angles C4'-P-C4' energy: -46.903
flat angles P-C4'-P energy: -27.625
tors. eta vs tors. theta energy: -51.684
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: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -665.778003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.778003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.778003 (E_RNA)
where:
Base-Base interactions energy: -442.398
where: short stacking energy: -177.599
Base-Backbone interact. energy: 1.800
local terms energy: -225.180381
where:
bonds (distance) C4'-P energy: -49.560
bonds (distance) P-C4' energy: -45.770
flat angles C4'-P-C4' energy: -51.994
flat angles P-C4'-P energy: -30.143
tors. eta vs tors. theta energy: -47.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -524.289314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.289314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.289314 (E_RNA)
where:
Base-Base interactions energy: -350.518
where: short stacking energy: -166.576
Base-Backbone interact. energy: 1.699
local terms energy: -175.470371
where:
bonds (distance) C4'-P energy: -36.331
bonds (distance) P-C4' energy: -45.087
flat angles C4'-P-C4' energy: -47.486
flat angles P-C4'-P energy: -16.200
tors. eta vs tors. theta energy: -30.366
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: 1, replica: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -966.905194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.905194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.905194 (E_RNA)
where:
Base-Base interactions energy: -685.121
where: short stacking energy: -272.348
Base-Backbone interact. energy: -1.385
local terms energy: -280.398458
where:
bonds (distance) C4'-P energy: -52.106
bonds (distance) P-C4' energy: -55.244
flat angles C4'-P-C4' energy: -56.812
flat angles P-C4'-P energy: -38.108
tors. eta vs tors. theta energy: -78.128
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: 28
Temperature: 0.950000
Total energy: -943.066972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.066972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.066972 (E_RNA)
where:
Base-Base interactions energy: -666.903
where: short stacking energy: -275.264
Base-Backbone interact. energy: -2.020
local terms energy: -274.144019
where:
bonds (distance) C4'-P energy: -45.660
bonds (distance) P-C4' energy: -47.035
flat angles C4'-P-C4' energy: -55.786
flat angles P-C4'-P energy: -46.145
tors. eta vs tors. theta energy: -79.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -891.606092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.606092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.606092 (E_RNA)
where:
Base-Base interactions energy: -625.116
where: short stacking energy: -254.845
Base-Backbone interact. energy: -1.877
local terms energy: -264.613191
where:
bonds (distance) C4'-P energy: -44.674
bonds (distance) P-C4' energy: -50.913
flat angles C4'-P-C4' energy: -56.537
flat angles P-C4'-P energy: -38.126
tors. eta vs tors. theta energy: -74.363
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: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -923.101685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.101685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.101685 (E_RNA)
where:
Base-Base interactions energy: -654.084
where: short stacking energy: -252.269
Base-Backbone interact. energy: -0.189
local terms energy: -268.828365
where:
bonds (distance) C4'-P energy: -43.472
bonds (distance) P-C4' energy: -59.322
flat angles C4'-P-C4' energy: -57.398
flat angles P-C4'-P energy: -34.415
tors. eta vs tors. theta energy: -74.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -821.686563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.686563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.686563 (E_RNA)
where:
Base-Base interactions energy: -570.463
where: short stacking energy: -239.195
Base-Backbone interact. energy: 1.634
local terms energy: -252.857673
where:
bonds (distance) C4'-P energy: -47.020
bonds (distance) P-C4' energy: -53.583
flat angles C4'-P-C4' energy: -52.879
flat angles P-C4'-P energy: -39.408
tors. eta vs tors. theta energy: -59.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -797.422849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.422849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.422849 (E_RNA)
where:
Base-Base interactions energy: -546.010
where: short stacking energy: -228.344
Base-Backbone interact. energy: -2.288
local terms energy: -249.125008
where:
bonds (distance) C4'-P energy: -58.052
bonds (distance) P-C4' energy: -52.847
flat angles C4'-P-C4' energy: -48.827
flat angles P-C4'-P energy: -28.879
tors. eta vs tors. theta energy: -60.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -722.540945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.540945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.540945 (E_RNA)
where:
Base-Base interactions energy: -496.135
where: short stacking energy: -205.716
Base-Backbone interact. energy: -2.013
local terms energy: -224.392830
where:
bonds (distance) C4'-P energy: -43.920
bonds (distance) P-C4' energy: -49.396
flat angles C4'-P-C4' energy: -50.258
flat angles P-C4'-P energy: -36.130
tors. eta vs tors. theta energy: -44.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -701.853003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.853003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.853003 (E_RNA)
where:
Base-Base interactions energy: -492.633
where: short stacking energy: -189.239
Base-Backbone interact. energy: -2.056
local terms energy: -207.164303
where:
bonds (distance) C4'-P energy: -34.129
bonds (distance) P-C4' energy: -48.764
flat angles C4'-P-C4' energy: -45.296
flat angles P-C4'-P energy: -34.219
tors. eta vs tors. theta energy: -44.757
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: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -628.795342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.795342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.795342 (E_RNA)
where:
Base-Base interactions energy: -427.128
where: short stacking energy: -168.673
Base-Backbone interact. energy: -0.863
local terms energy: -200.804714
where:
bonds (distance) C4'-P energy: -47.222
bonds (distance) P-C4' energy: -40.367
flat angles C4'-P-C4' energy: -41.870
flat angles P-C4'-P energy: -35.661
tors. eta vs tors. theta energy: -35.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -531.244686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.244686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.244686 (E_RNA)
where:
Base-Base interactions energy: -348.494
where: short stacking energy: -156.769
Base-Backbone interact. energy: -0.384
local terms energy: -182.366813
where:
bonds (distance) C4'-P energy: -45.256
bonds (distance) P-C4' energy: -42.507
flat angles C4'-P-C4' energy: -40.249
flat angles P-C4'-P energy: -27.757
tors. eta vs tors. theta energy: -26.597
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: 29
Temperature: 0.900000
Total energy: -976.370878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.370878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.370878 (E_RNA)
where:
Base-Base interactions energy: -679.003
where: short stacking energy: -284.031
Base-Backbone interact. energy: -3.764
local terms energy: -293.603451
where:
bonds (distance) C4'-P energy: -47.325
bonds (distance) P-C4' energy: -54.301
flat angles C4'-P-C4' energy: -58.532
flat angles P-C4'-P energy: -46.090
tors. eta vs tors. theta energy: -87.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -945.288251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.288251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.288251 (E_RNA)
where:
Base-Base interactions energy: -656.765
where: short stacking energy: -271.271
Base-Backbone interact. energy: -2.231
local terms energy: -286.291996
where:
bonds (distance) C4'-P energy: -53.505
bonds (distance) P-C4' energy: -56.207
flat angles C4'-P-C4' energy: -63.887
flat angles P-C4'-P energy: -36.549
tors. eta vs tors. theta energy: -76.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -922.255451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.255451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.255451 (E_RNA)
where:
Base-Base interactions energy: -634.848
where: short stacking energy: -251.527
Base-Backbone interact. energy: -2.282
local terms energy: -285.125249
where:
bonds (distance) C4'-P energy: -51.032
bonds (distance) P-C4' energy: -57.124
flat angles C4'-P-C4' energy: -54.689
flat angles P-C4'-P energy: -45.132
tors. eta vs tors. theta energy: -77.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -911.169243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.169243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.169243 (E_RNA)
where:
Base-Base interactions energy: -637.512
where: short stacking energy: -258.327
Base-Backbone interact. energy: -2.047
local terms energy: -271.610076
where:
bonds (distance) C4'-P energy: -45.557
bonds (distance) P-C4' energy: -52.784
flat angles C4'-P-C4' energy: -59.185
flat angles P-C4'-P energy: -33.038
tors. eta vs tors. theta energy: -81.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -824.107841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.107841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.107841 (E_RNA)
where:
Base-Base interactions energy: -573.487
where: short stacking energy: -241.574
Base-Backbone interact. energy: -2.536
local terms energy: -248.084352
where:
bonds (distance) C4'-P energy: -41.668
bonds (distance) P-C4' energy: -50.869
flat angles C4'-P-C4' energy: -56.260
flat angles P-C4'-P energy: -35.803
tors. eta vs tors. theta energy: -63.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -793.288903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.288903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.288903 (E_RNA)
where:
Base-Base interactions energy: -556.436
where: short stacking energy: -216.492
Base-Backbone interact. energy: 0.062
local terms energy: -236.914001
where:
bonds (distance) C4'-P energy: -40.595
bonds (distance) P-C4' energy: -54.307
flat angles C4'-P-C4' energy: -50.030
flat angles P-C4'-P energy: -34.140
tors. eta vs tors. theta energy: -57.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -711.438874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.438874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.438874 (E_RNA)
where:
Base-Base interactions energy: -506.809
where: short stacking energy: -202.466
Base-Backbone interact. energy: 2.606
local terms energy: -207.235579
where:
bonds (distance) C4'-P energy: -40.918
bonds (distance) P-C4' energy: -42.786
flat angles C4'-P-C4' energy: -49.118
flat angles P-C4'-P energy: -35.247
tors. eta vs tors. theta energy: -39.167
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: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -675.838869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.838869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.838869 (E_RNA)
where:
Base-Base interactions energy: -482.625
where: short stacking energy: -194.389
Base-Backbone interact. energy: -1.929
local terms energy: -191.285431
where:
bonds (distance) C4'-P energy: -42.127
bonds (distance) P-C4' energy: -36.174
flat angles C4'-P-C4' energy: -40.801
flat angles P-C4'-P energy: -27.329
tors. eta vs tors. theta energy: -44.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -640.562046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.562046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.562046 (E_RNA)
where:
Base-Base interactions energy: -422.179
where: short stacking energy: -169.598
Base-Backbone interact. energy: -1.574
local terms energy: -216.809760
where:
bonds (distance) C4'-P energy: -50.525
bonds (distance) P-C4' energy: -37.180
flat angles C4'-P-C4' energy: -51.292
flat angles P-C4'-P energy: -36.077
tors. eta vs tors. theta energy: -41.736
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: 29
Temperature: 1.350000
Total energy: -494.104809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.104809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.104809 (E_RNA)
where:
Base-Base interactions energy: -302.706
where: short stacking energy: -144.196
Base-Backbone interact. energy: -1.177
local terms energy: -190.221539
where:
bonds (distance) C4'-P energy: -44.235
bonds (distance) P-C4' energy: -41.386
flat angles C4'-P-C4' energy: -49.406
flat angles P-C4'-P energy: -27.791
tors. eta vs tors. theta energy: -27.405
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: 30
Temperature: 0.900000
Total energy: -972.085473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.085473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.085473 (E_RNA)
where:
Base-Base interactions energy: -689.233
where: short stacking energy: -284.049
Base-Backbone interact. energy: -2.749
local terms energy: -280.103321
where:
bonds (distance) C4'-P energy: -44.421
bonds (distance) P-C4' energy: -58.325
flat angles C4'-P-C4' energy: -59.338
flat angles P-C4'-P energy: -41.628
tors. eta vs tors. theta energy: -76.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -954.238269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.238269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.238269 (E_RNA)
where:
Base-Base interactions energy: -675.681
where: short stacking energy: -274.276
Base-Backbone interact. energy: -2.813
local terms energy: -275.744070
where:
bonds (distance) C4'-P energy: -53.758
bonds (distance) P-C4' energy: -50.480
flat angles C4'-P-C4' energy: -53.748
flat angles P-C4'-P energy: -37.389
tors. eta vs tors. theta energy: -80.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -900.497020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.497020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.497020 (E_RNA)
where:
Base-Base interactions energy: -625.634
where: short stacking energy: -253.428
Base-Backbone interact. energy: -1.157
local terms energy: -273.705992
where:
bonds (distance) C4'-P energy: -46.180
bonds (distance) P-C4' energy: -53.570
flat angles C4'-P-C4' energy: -56.445
flat angles P-C4'-P energy: -42.674
tors. eta vs tors. theta energy: -74.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -879.866196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.866196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.866196 (E_RNA)
where:
Base-Base interactions energy: -626.297
where: short stacking energy: -259.465
Base-Backbone interact. energy: -0.165
local terms energy: -253.405092
where:
bonds (distance) C4'-P energy: -49.509
bonds (distance) P-C4' energy: -45.370
flat angles C4'-P-C4' energy: -59.028
flat angles P-C4'-P energy: -35.725
tors. eta vs tors. theta energy: -63.773
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: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -824.204417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.204417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.204417 (E_RNA)
where:
Base-Base interactions energy: -582.097
where: short stacking energy: -237.063
Base-Backbone interact. energy: -1.788
local terms energy: -240.319177
where:
bonds (distance) C4'-P energy: -44.251
bonds (distance) P-C4' energy: -36.113
flat angles C4'-P-C4' energy: -56.211
flat angles P-C4'-P energy: -40.119
tors. eta vs tors. theta energy: -63.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -792.944303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.944303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.944303 (E_RNA)
where:
Base-Base interactions energy: -551.914
where: short stacking energy: -216.703
Base-Backbone interact. energy: -0.645
local terms energy: -240.384833
where:
bonds (distance) C4'-P energy: -43.761
bonds (distance) P-C4' energy: -43.703
flat angles C4'-P-C4' energy: -55.749
flat angles P-C4'-P energy: -38.766
tors. eta vs tors. theta energy: -58.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -732.750981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.750981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.750981 (E_RNA)
where:
Base-Base interactions energy: -500.976
where: short stacking energy: -201.581
Base-Backbone interact. energy: -0.925
local terms energy: -230.850818
where:
bonds (distance) C4'-P energy: -47.416
bonds (distance) P-C4' energy: -45.762
flat angles C4'-P-C4' energy: -50.465
flat angles P-C4'-P energy: -36.304
tors. eta vs tors. theta energy: -50.904
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: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -706.522302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.522302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.522302 (E_RNA)
where:
Base-Base interactions energy: -500.678
where: short stacking energy: -198.023
Base-Backbone interact. energy: 0.278
local terms energy: -206.122931
where:
bonds (distance) C4'-P energy: -47.605
bonds (distance) P-C4' energy: -49.035
flat angles C4'-P-C4' energy: -40.440
flat angles P-C4'-P energy: -27.844
tors. eta vs tors. theta energy: -41.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -601.071377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.071377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.071377 (E_RNA)
where:
Base-Base interactions energy: -400.922
where: short stacking energy: -172.309
Base-Backbone interact. energy: -0.941
local terms energy: -199.207974
where:
bonds (distance) C4'-P energy: -41.885
bonds (distance) P-C4' energy: -52.678
flat angles C4'-P-C4' energy: -44.488
flat angles P-C4'-P energy: -27.412
tors. eta vs tors. theta energy: -32.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -399.886735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.886735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.886735 (E_RNA)
where:
Base-Base interactions energy: -244.752
where: short stacking energy: -116.819
Base-Backbone interact. energy: 1.957
local terms energy: -157.092493
where:
bonds (distance) C4'-P energy: -34.640
bonds (distance) P-C4' energy: -44.186
flat angles C4'-P-C4' energy: -37.168
flat angles P-C4'-P energy: -26.146
tors. eta vs tors. theta energy: -14.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -954.078661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.078661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.078661 (E_RNA)
where:
Base-Base interactions energy: -660.762
where: short stacking energy: -279.739
Base-Backbone interact. energy: -1.635
local terms energy: -291.681990
where:
bonds (distance) C4'-P energy: -54.859
bonds (distance) P-C4' energy: -42.728
flat angles C4'-P-C4' energy: -57.950
flat angles P-C4'-P energy: -52.436
tors. eta vs tors. theta energy: -83.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -952.662576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.662576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.662576 (E_RNA)
where:
Base-Base interactions energy: -667.937
where: short stacking energy: -267.422
Base-Backbone interact. energy: -0.223
local terms energy: -284.502841
where:
bonds (distance) C4'-P energy: -53.435
bonds (distance) P-C4' energy: -56.945
flat angles C4'-P-C4' energy: -57.244
flat angles P-C4'-P energy: -34.095
tors. eta vs tors. theta energy: -82.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -903.365497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.365497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.365497 (E_RNA)
where:
Base-Base interactions energy: -633.979
where: short stacking energy: -272.136
Base-Backbone interact. energy: -1.888
local terms energy: -267.498240
where:
bonds (distance) C4'-P energy: -45.671
bonds (distance) P-C4' energy: -46.942
flat angles C4'-P-C4' energy: -59.238
flat angles P-C4'-P energy: -42.633
tors. eta vs tors. theta energy: -73.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -865.310115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.310115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.310115 (E_RNA)
where:
Base-Base interactions energy: -602.219
where: short stacking energy: -240.155
Base-Backbone interact. energy: -1.243
local terms energy: -261.848384
where:
bonds (distance) C4'-P energy: -45.371
bonds (distance) P-C4' energy: -54.642
flat angles C4'-P-C4' energy: -56.194
flat angles P-C4'-P energy: -38.264
tors. eta vs tors. theta energy: -67.378
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: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -814.972835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.972835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.972835 (E_RNA)
where:
Base-Base interactions energy: -569.537
where: short stacking energy: -231.703
Base-Backbone interact. energy: -3.139
local terms energy: -242.297474
where:
bonds (distance) C4'-P energy: -40.758
bonds (distance) P-C4' energy: -53.061
flat angles C4'-P-C4' energy: -45.994
flat angles P-C4'-P energy: -34.115
tors. eta vs tors. theta energy: -68.370
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: 3
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -777.090367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.090367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.090367 (E_RNA)
where:
Base-Base interactions energy: -545.392
where: short stacking energy: -216.329
Base-Backbone interact. energy: -0.319
local terms energy: -231.378823
where:
bonds (distance) C4'-P energy: -42.506
bonds (distance) P-C4' energy: -52.955
flat angles C4'-P-C4' energy: -50.225
flat angles P-C4'-P energy: -34.380
tors. eta vs tors. theta energy: -51.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -732.710820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.710820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.710820 (E_RNA)
where:
Base-Base interactions energy: -525.081
where: short stacking energy: -211.749
Base-Backbone interact. energy: -2.910
local terms energy: -204.719615
where:
bonds (distance) C4'-P energy: -36.786
bonds (distance) P-C4' energy: -47.093
flat angles C4'-P-C4' energy: -47.607
flat angles P-C4'-P energy: -21.566
tors. eta vs tors. theta energy: -51.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -739.914635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.914635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.914635 (E_RNA)
where:
Base-Base interactions energy: -517.465
where: short stacking energy: -201.878
Base-Backbone interact. energy: -3.170
local terms energy: -219.279639
where:
bonds (distance) C4'-P energy: -45.844
bonds (distance) P-C4' energy: -41.620
flat angles C4'-P-C4' energy: -44.959
flat angles P-C4'-P energy: -38.500
tors. eta vs tors. theta energy: -48.357
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: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -614.172629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.172629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.172629 (E_RNA)
where:
Base-Base interactions energy: -405.629
where: short stacking energy: -168.378
Base-Backbone interact. energy: 0.440
local terms energy: -208.983390
where:
bonds (distance) C4'-P energy: -41.834
bonds (distance) P-C4' energy: -51.397
flat angles C4'-P-C4' energy: -46.877
flat angles P-C4'-P energy: -31.767
tors. eta vs tors. theta energy: -37.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -429.713486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.713486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.713486 (E_RNA)
where:
Base-Base interactions energy: -257.157
where: short stacking energy: -115.833
Base-Backbone interact. energy: -1.228
local terms energy: -171.328568
where:
bonds (distance) C4'-P energy: -48.816
bonds (distance) P-C4' energy: -38.173
flat angles C4'-P-C4' energy: -37.471
flat angles P-C4'-P energy: -33.133
tors. eta vs tors. theta energy: -13.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -965.487535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.487535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.487535 (E_RNA)
where:
Base-Base interactions energy: -685.801
where: short stacking energy: -269.299
Base-Backbone interact. energy: -0.433
local terms energy: -279.254031
where:
bonds (distance) C4'-P energy: -42.147
bonds (distance) P-C4' energy: -54.259
flat angles C4'-P-C4' energy: -61.616
flat angles P-C4'-P energy: -41.800
tors. eta vs tors. theta energy: -79.432
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: 32
Temperature: 0.950000
Total energy: -950.430926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.430926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.430926 (E_RNA)
where:
Base-Base interactions energy: -662.004
where: short stacking energy: -278.002
Base-Backbone interact. energy: -0.516
local terms energy: -287.911046
where:
bonds (distance) C4'-P energy: -52.997
bonds (distance) P-C4' energy: -49.464
flat angles C4'-P-C4' energy: -61.986
flat angles P-C4'-P energy: -37.646
tors. eta vs tors. theta energy: -85.817
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: 6
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -916.442638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.442638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.442638 (E_RNA)
where:
Base-Base interactions energy: -641.017
where: short stacking energy: -258.812
Base-Backbone interact. energy: -1.238
local terms energy: -274.187370
where:
bonds (distance) C4'-P energy: -46.239
bonds (distance) P-C4' energy: -51.492
flat angles C4'-P-C4' energy: -61.229
flat angles P-C4'-P energy: -39.791
tors. eta vs tors. theta energy: -75.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -896.139975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.139975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.139975 (E_RNA)
where:
Base-Base interactions energy: -628.554
where: short stacking energy: -248.642
Base-Backbone interact. energy: -1.189
local terms energy: -266.397293
where:
bonds (distance) C4'-P energy: -60.973
bonds (distance) P-C4' energy: -43.185
flat angles C4'-P-C4' energy: -55.045
flat angles P-C4'-P energy: -43.988
tors. eta vs tors. theta energy: -63.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -815.571032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.571032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.571032 (E_RNA)
where:
Base-Base interactions energy: -567.631
where: short stacking energy: -228.949
Base-Backbone interact. energy: -1.346
local terms energy: -246.594638
where:
bonds (distance) C4'-P energy: -45.878
bonds (distance) P-C4' energy: -53.811
flat angles C4'-P-C4' energy: -54.219
flat angles P-C4'-P energy: -30.294
tors. eta vs tors. theta energy: -62.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -788.773367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.773367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.773367 (E_RNA)
where:
Base-Base interactions energy: -547.492
where: short stacking energy: -219.974
Base-Backbone interact. energy: -0.553
local terms energy: -240.727725
where:
bonds (distance) C4'-P energy: -45.291
bonds (distance) P-C4' energy: -51.517
flat angles C4'-P-C4' energy: -49.637
flat angles P-C4'-P energy: -38.458
tors. eta vs tors. theta energy: -55.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -796.110854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.110854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.110854 (E_RNA)
where:
Base-Base interactions energy: -560.321
where: short stacking energy: -218.461
Base-Backbone interact. energy: 3.895
local terms energy: -239.685115
where:
bonds (distance) C4'-P energy: -44.749
bonds (distance) P-C4' energy: -56.413
flat angles C4'-P-C4' energy: -44.395
flat angles P-C4'-P energy: -36.075
tors. eta vs tors. theta energy: -58.054
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: 32
Temperature: 1.250000
Total energy: -702.725802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.725802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.725802 (E_RNA)
where:
Base-Base interactions energy: -487.436
where: short stacking energy: -184.869
Base-Backbone interact. energy: 0.509
local terms energy: -215.799037
where:
bonds (distance) C4'-P energy: -37.878
bonds (distance) P-C4' energy: -43.333
flat angles C4'-P-C4' energy: -55.339
flat angles P-C4'-P energy: -33.944
tors. eta vs tors. theta energy: -45.305
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: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -665.198315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.198315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.198315 (E_RNA)
where:
Base-Base interactions energy: -469.008
where: short stacking energy: -190.589
Base-Backbone interact. energy: -1.220
local terms energy: -194.970523
where:
bonds (distance) C4'-P energy: -36.832
bonds (distance) P-C4' energy: -39.942
flat angles C4'-P-C4' energy: -43.870
flat angles P-C4'-P energy: -25.924
tors. eta vs tors. theta energy: -48.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -426.786032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.786032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.786032 (E_RNA)
where:
Base-Base interactions energy: -255.321
where: short stacking energy: -114.870
Base-Backbone interact. energy: -1.640
local terms energy: -169.825013
where:
bonds (distance) C4'-P energy: -45.997
bonds (distance) P-C4' energy: -50.564
flat angles C4'-P-C4' energy: -38.466
flat angles P-C4'-P energy: -27.536
tors. eta vs tors. theta energy: -7.261
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: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -977.133060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.133060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.133060 (E_RNA)
where:
Base-Base interactions energy: -684.317
where: short stacking energy: -285.165
Base-Backbone interact. energy: -2.270
local terms energy: -290.545794
where:
bonds (distance) C4'-P energy: -54.786
bonds (distance) P-C4' energy: -51.929
flat angles C4'-P-C4' energy: -62.901
flat angles P-C4'-P energy: -40.226
tors. eta vs tors. theta energy: -80.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -928.639951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.639951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.639951 (E_RNA)
where:
Base-Base interactions energy: -648.518
where: short stacking energy: -249.662
Base-Backbone interact. energy: 0.084
local terms energy: -280.205222
where:
bonds (distance) C4'-P energy: -52.792
bonds (distance) P-C4' energy: -59.507
flat angles C4'-P-C4' energy: -58.609
flat angles P-C4'-P energy: -38.699
tors. eta vs tors. theta energy: -70.599
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: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -931.332897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.332897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.332897 (E_RNA)
where:
Base-Base interactions energy: -662.115
where: short stacking energy: -275.629
Base-Backbone interact. energy: -1.569
local terms energy: -267.649007
where:
bonds (distance) C4'-P energy: -51.153
bonds (distance) P-C4' energy: -45.810
flat angles C4'-P-C4' energy: -50.083
flat angles P-C4'-P energy: -38.974
tors. eta vs tors. theta energy: -81.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -853.961537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.961537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.961537 (E_RNA)
where:
Base-Base interactions energy: -594.967
where: short stacking energy: -244.823
Base-Backbone interact. energy: 1.141
local terms energy: -260.135230
where:
bonds (distance) C4'-P energy: -50.146
bonds (distance) P-C4' energy: -48.515
flat angles C4'-P-C4' energy: -58.088
flat angles P-C4'-P energy: -37.801
tors. eta vs tors. theta energy: -65.585
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: 5, replica: 1
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -864.289201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.289201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.289201 (E_RNA)
where:
Base-Base interactions energy: -595.158
where: short stacking energy: -247.619
Base-Backbone interact. energy: -1.681
local terms energy: -267.450331
where:
bonds (distance) C4'-P energy: -52.879
bonds (distance) P-C4' energy: -48.126
flat angles C4'-P-C4' energy: -60.756
flat angles P-C4'-P energy: -34.247
tors. eta vs tors. theta energy: -71.443
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: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -799.444543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.444543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.444543 (E_RNA)
where:
Base-Base interactions energy: -551.818
where: short stacking energy: -234.317
Base-Backbone interact. energy: -1.946
local terms energy: -245.681177
where:
bonds (distance) C4'-P energy: -48.886
bonds (distance) P-C4' energy: -34.745
flat angles C4'-P-C4' energy: -60.041
flat angles P-C4'-P energy: -39.985
tors. eta vs tors. theta energy: -62.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -792.997623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.997623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.997623 (E_RNA)
where:
Base-Base interactions energy: -539.701
where: short stacking energy: -226.943
Base-Backbone interact. energy: 0.120
local terms energy: -253.416217
where:
bonds (distance) C4'-P energy: -56.926
bonds (distance) P-C4' energy: -58.822
flat angles C4'-P-C4' energy: -46.943
flat angles P-C4'-P energy: -33.533
tors. eta vs tors. theta energy: -57.192
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: 33
Temperature: 1.250000
Total energy: -699.624402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.624402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.624402 (E_RNA)
where:
Base-Base interactions energy: -489.989
where: short stacking energy: -197.340
Base-Backbone interact. energy: -2.447
local terms energy: -207.188612
where:
bonds (distance) C4'-P energy: -39.741
bonds (distance) P-C4' energy: -47.181
flat angles C4'-P-C4' energy: -47.398
flat angles P-C4'-P energy: -27.875
tors. eta vs tors. theta energy: -44.994
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: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -666.904498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.904498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.904498 (E_RNA)
where:
Base-Base interactions energy: -455.277
where: short stacking energy: -176.160
Base-Backbone interact. energy: 0.960
local terms energy: -212.588133
where:
bonds (distance) C4'-P energy: -55.871
bonds (distance) P-C4' energy: -46.587
flat angles C4'-P-C4' energy: -45.273
flat angles P-C4'-P energy: -26.300
tors. eta vs tors. theta energy: -38.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -436.935673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.935673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.935673 (E_RNA)
where:
Base-Base interactions energy: -270.976
where: short stacking energy: -131.555
Base-Backbone interact. energy: 0.031
local terms energy: -165.991101
where:
bonds (distance) C4'-P energy: -32.466
bonds (distance) P-C4' energy: -43.258
flat angles C4'-P-C4' energy: -50.299
flat angles P-C4'-P energy: -24.465
tors. eta vs tors. theta energy: -15.503
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: 1, replica: 6
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -951.479281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.479281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.479281 (E_RNA)
where:
Base-Base interactions energy: -664.554
where: short stacking energy: -271.499
Base-Backbone interact. energy: -3.798
local terms energy: -283.127334
where:
bonds (distance) C4'-P energy: -57.672
bonds (distance) P-C4' energy: -60.350
flat angles C4'-P-C4' energy: -57.167
flat angles P-C4'-P energy: -32.723
tors. eta vs tors. theta energy: -75.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -953.529549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.529549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.529549 (E_RNA)
where:
Base-Base interactions energy: -676.048
where: short stacking energy: -269.326
Base-Backbone interact. energy: -2.567
local terms energy: -274.914540
where:
bonds (distance) C4'-P energy: -54.708
bonds (distance) P-C4' energy: -45.945
flat angles C4'-P-C4' energy: -56.706
flat angles P-C4'-P energy: -39.745
tors. eta vs tors. theta energy: -77.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -949.638216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.638216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.638216 (E_RNA)
where:
Base-Base interactions energy: -673.360
where: short stacking energy: -277.317
Base-Backbone interact. energy: -2.267
local terms energy: -274.010944
where:
bonds (distance) C4'-P energy: -48.343
bonds (distance) P-C4' energy: -45.882
flat angles C4'-P-C4' energy: -58.318
flat angles P-C4'-P energy: -36.741
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: 4, replica: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -834.738211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.738211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.738211 (E_RNA)
where:
Base-Base interactions energy: -573.664
where: short stacking energy: -235.067
Base-Backbone interact. energy: -0.828
local terms energy: -260.246829
where:
bonds (distance) C4'-P energy: -44.053
bonds (distance) P-C4' energy: -50.558
flat angles C4'-P-C4' energy: -55.524
flat angles P-C4'-P energy: -39.120
tors. eta vs tors. theta energy: -70.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -857.289677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.289677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.289677 (E_RNA)
where:
Base-Base interactions energy: -609.776
where: short stacking energy: -250.051
Base-Backbone interact. energy: -0.189
local terms energy: -247.324467
where:
bonds (distance) C4'-P energy: -36.798
bonds (distance) P-C4' energy: -42.482
flat angles C4'-P-C4' energy: -48.159
flat angles P-C4'-P energy: -38.248
tors. eta vs tors. theta energy: -81.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -781.397045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.397045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.397045 (E_RNA)
where:
Base-Base interactions energy: -530.326
where: short stacking energy: -206.965
Base-Backbone interact. energy: -2.221
local terms energy: -248.850160
where:
bonds (distance) C4'-P energy: -47.967
bonds (distance) P-C4' energy: -55.452
flat angles C4'-P-C4' energy: -55.252
flat angles P-C4'-P energy: -34.052
tors. eta vs tors. theta energy: -56.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -751.696220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.696220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.696220 (E_RNA)
where:
Base-Base interactions energy: -517.380
where: short stacking energy: -215.102
Base-Backbone interact. energy: -1.750
local terms energy: -232.566468
where:
bonds (distance) C4'-P energy: -51.014
bonds (distance) P-C4' energy: -46.004
flat angles C4'-P-C4' energy: -45.907
flat angles P-C4'-P energy: -32.313
tors. eta vs tors. theta energy: -57.327
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: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -713.657871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.657871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.657871 (E_RNA)
where:
Base-Base interactions energy: -476.793
where: short stacking energy: -188.788
Base-Backbone interact. energy: 0.076
local terms energy: -236.941762
where:
bonds (distance) C4'-P energy: -49.320
bonds (distance) P-C4' energy: -45.443
flat angles C4'-P-C4' energy: -55.166
flat angles P-C4'-P energy: -33.657
tors. eta vs tors. theta energy: -53.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -649.893217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.893217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.893217 (E_RNA)
where:
Base-Base interactions energy: -446.464
where: short stacking energy: -184.856
Base-Backbone interact. energy: 0.237
local terms energy: -203.666134
where:
bonds (distance) C4'-P energy: -38.759
bonds (distance) P-C4' energy: -44.313
flat angles C4'-P-C4' energy: -43.095
flat angles P-C4'-P energy: -32.905
tors. eta vs tors. theta energy: -44.594
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: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -446.790780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.790780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.790780 (E_RNA)
where:
Base-Base interactions energy: -268.029
where: short stacking energy: -128.377
Base-Backbone interact. energy: -1.387
local terms energy: -177.375206
where:
bonds (distance) C4'-P energy: -49.112
bonds (distance) P-C4' energy: -47.283
flat angles C4'-P-C4' energy: -46.333
flat angles P-C4'-P energy: -21.549
tors. eta vs tors. theta energy: -13.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -935.050402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.050402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.050402 (E_RNA)
where:
Base-Base interactions energy: -654.671
where: short stacking energy: -256.471
Base-Backbone interact. energy: -2.148
local terms energy: -278.231432
where:
bonds (distance) C4'-P energy: -57.928
bonds (distance) P-C4' energy: -53.260
flat angles C4'-P-C4' energy: -56.646
flat angles P-C4'-P energy: -36.224
tors. eta vs tors. theta energy: -74.173
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: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -958.808494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.808494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.808494 (E_RNA)
where:
Base-Base interactions energy: -674.576
where: short stacking energy: -276.884
Base-Backbone interact. energy: -1.468
local terms energy: -282.764279
where:
bonds (distance) C4'-P energy: -50.395
bonds (distance) P-C4' energy: -51.278
flat angles C4'-P-C4' energy: -56.740
flat angles P-C4'-P energy: -41.341
tors. eta vs tors. theta energy: -83.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -927.203448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.203448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.203448 (E_RNA)
where:
Base-Base interactions energy: -655.084
where: short stacking energy: -266.288
Base-Backbone interact. energy: -2.939
local terms energy: -269.179860
where:
bonds (distance) C4'-P energy: -45.671
bonds (distance) P-C4' energy: -55.534
flat angles C4'-P-C4' energy: -52.361
flat angles P-C4'-P energy: -40.043
tors. eta vs tors. theta energy: -75.571
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: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -856.681604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.681604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.681604 (E_RNA)
where:
Base-Base interactions energy: -606.443
where: short stacking energy: -258.599
Base-Backbone interact. energy: -1.551
local terms energy: -248.687107
where:
bonds (distance) C4'-P energy: -42.292
bonds (distance) P-C4' energy: -43.148
flat angles C4'-P-C4' energy: -60.699
flat angles P-C4'-P energy: -33.775
tors. eta vs tors. theta energy: -68.773
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: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -872.811364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.811364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.811364 (E_RNA)
where:
Base-Base interactions energy: -605.575
where: short stacking energy: -248.302
Base-Backbone interact. energy: -2.150
local terms energy: -265.085887
where:
bonds (distance) C4'-P energy: -42.600
bonds (distance) P-C4' energy: -55.001
flat angles C4'-P-C4' energy: -55.798
flat angles P-C4'-P energy: -36.859
tors. eta vs tors. theta energy: -74.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -790.523893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.523893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.523893 (E_RNA)
where:
Base-Base interactions energy: -546.895
where: short stacking energy: -230.986
Base-Backbone interact. energy: -2.202
local terms energy: -241.427484
where:
bonds (distance) C4'-P energy: -43.709
bonds (distance) P-C4' energy: -48.526
flat angles C4'-P-C4' energy: -50.980
flat angles P-C4'-P energy: -39.016
tors. eta vs tors. theta energy: -59.197
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: 3
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -759.041130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.041130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.041130 (E_RNA)
where:
Base-Base interactions energy: -523.686
where: short stacking energy: -208.455
Base-Backbone interact. energy: -0.954
local terms energy: -234.400790
where:
bonds (distance) C4'-P energy: -49.241
bonds (distance) P-C4' energy: -48.984
flat angles C4'-P-C4' energy: -45.335
flat angles P-C4'-P energy: -37.164
tors. eta vs tors. theta energy: -53.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -745.575051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.575051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.575051 (E_RNA)
where:
Base-Base interactions energy: -509.134
where: short stacking energy: -211.361
Base-Backbone interact. energy: -3.280
local terms energy: -233.161082
where:
bonds (distance) C4'-P energy: -50.414
bonds (distance) P-C4' energy: -49.223
flat angles C4'-P-C4' energy: -50.115
flat angles P-C4'-P energy: -25.350
tors. eta vs tors. theta energy: -58.059
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: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -613.166967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.166967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.166967 (E_RNA)
where:
Base-Base interactions energy: -421.097
where: short stacking energy: -170.110
Base-Backbone interact. energy: 0.723
local terms energy: -192.793511
where:
bonds (distance) C4'-P energy: -26.492
bonds (distance) P-C4' energy: -50.727
flat angles C4'-P-C4' energy: -52.521
flat angles P-C4'-P energy: -25.758
tors. eta vs tors. theta energy: -37.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -496.727020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.727020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.727020 (E_RNA)
where:
Base-Base interactions energy: -318.434
where: short stacking energy: -144.048
Base-Backbone interact. energy: -0.078
local terms energy: -178.214309
where:
bonds (distance) C4'-P energy: -45.853
bonds (distance) P-C4' energy: -44.344
flat angles C4'-P-C4' energy: -42.376
flat angles P-C4'-P energy: -23.035
tors. eta vs tors. theta energy: -22.606
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: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -980.070936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.070936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.070936 (E_RNA)
where:
Base-Base interactions energy: -699.773
where: short stacking energy: -288.362
Base-Backbone interact. energy: 2.580
local terms energy: -282.878686
where:
bonds (distance) C4'-P energy: -48.419
bonds (distance) P-C4' energy: -53.573
flat angles C4'-P-C4' energy: -62.530
flat angles P-C4'-P energy: -35.803
tors. eta vs tors. theta energy: -82.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -926.608835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.608835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.608835 (E_RNA)
where:
Base-Base interactions energy: -637.816
where: short stacking energy: -262.097
Base-Backbone interact. energy: -1.190
local terms energy: -287.602486
where:
bonds (distance) C4'-P energy: -59.225
bonds (distance) P-C4' energy: -54.439
flat angles C4'-P-C4' energy: -64.111
flat angles P-C4'-P energy: -37.043
tors. eta vs tors. theta energy: -72.785
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: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -927.913307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.913307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.913307 (E_RNA)
where:
Base-Base interactions energy: -637.700
where: short stacking energy: -280.874
Base-Backbone interact. energy: -1.700
local terms energy: -288.513924
where:
bonds (distance) C4'-P energy: -47.522
bonds (distance) P-C4' energy: -57.140
flat angles C4'-P-C4' energy: -60.568
flat angles P-C4'-P energy: -40.907
tors. eta vs tors. theta energy: -82.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -854.920693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.920693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.920693 (E_RNA)
where:
Base-Base interactions energy: -585.034
where: short stacking energy: -243.763
Base-Backbone interact. energy: -3.671
local terms energy: -266.216063
where:
bonds (distance) C4'-P energy: -48.611
bonds (distance) P-C4' energy: -52.522
flat angles C4'-P-C4' energy: -58.574
flat angles P-C4'-P energy: -39.596
tors. eta vs tors. theta energy: -66.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -864.908388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.908388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.908388 (E_RNA)
where:
Base-Base interactions energy: -601.170
where: short stacking energy: -247.126
Base-Backbone interact. energy: -0.999
local terms energy: -262.740185
where:
bonds (distance) C4'-P energy: -49.862
bonds (distance) P-C4' energy: -51.201
flat angles C4'-P-C4' energy: -59.805
flat angles P-C4'-P energy: -36.098
tors. eta vs tors. theta energy: -65.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -797.647642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.647642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.647642 (E_RNA)
where:
Base-Base interactions energy: -565.762
where: short stacking energy: -227.365
Base-Backbone interact. energy: -1.040
local terms energy: -230.845409
where:
bonds (distance) C4'-P energy: -50.296
bonds (distance) P-C4' energy: -37.773
flat angles C4'-P-C4' energy: -54.501
flat angles P-C4'-P energy: -31.282
tors. eta vs tors. theta energy: -56.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -764.179643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.179643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.179643 (E_RNA)
where:
Base-Base interactions energy: -534.117
where: short stacking energy: -217.737
Base-Backbone interact. energy: -1.440
local terms energy: -228.621802
where:
bonds (distance) C4'-P energy: -53.164
bonds (distance) P-C4' energy: -43.725
flat angles C4'-P-C4' energy: -51.032
flat angles P-C4'-P energy: -27.590
tors. eta vs tors. theta energy: -53.110
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: 36
Temperature: 1.250000
Total energy: -709.031894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.031894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.031894 (E_RNA)
where:
Base-Base interactions energy: -506.638
where: short stacking energy: -214.614
Base-Backbone interact. energy: -1.315
local terms energy: -201.078927
where:
bonds (distance) C4'-P energy: -40.076
bonds (distance) P-C4' energy: -43.258
flat angles C4'-P-C4' energy: -46.661
flat angles P-C4'-P energy: -23.384
tors. eta vs tors. theta energy: -47.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -602.738171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.738171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.738171 (E_RNA)
where:
Base-Base interactions energy: -402.803
where: short stacking energy: -178.302
Base-Backbone interact. energy: -1.846
local terms energy: -198.089354
where:
bonds (distance) C4'-P energy: -35.278
bonds (distance) P-C4' energy: -38.800
flat angles C4'-P-C4' energy: -42.265
flat angles P-C4'-P energy: -36.389
tors. eta vs tors. theta energy: -45.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -510.007946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.007946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.007946 (E_RNA)
where:
Base-Base interactions energy: -315.948
where: short stacking energy: -157.845
Base-Backbone interact. energy: 0.392
local terms energy: -194.452408
where:
bonds (distance) C4'-P energy: -38.009
bonds (distance) P-C4' energy: -34.356
flat angles C4'-P-C4' energy: -51.474
flat angles P-C4'-P energy: -31.472
tors. eta vs tors. theta energy: -39.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -974.966616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.966616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.966616 (E_RNA)
where:
Base-Base interactions energy: -680.186
where: short stacking energy: -275.473
Base-Backbone interact. energy: -2.636
local terms energy: -292.144108
where:
bonds (distance) C4'-P energy: -53.024
bonds (distance) P-C4' energy: -55.501
flat angles C4'-P-C4' energy: -57.766
flat angles P-C4'-P energy: -42.486
tors. eta vs tors. theta energy: -83.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -943.746071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.746071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.746071 (E_RNA)
where:
Base-Base interactions energy: -664.308
where: short stacking energy: -276.967
Base-Backbone interact. energy: -2.971
local terms energy: -276.466683
where:
bonds (distance) C4'-P energy: -51.530
bonds (distance) P-C4' energy: -47.464
flat angles C4'-P-C4' energy: -61.887
flat angles P-C4'-P energy: -38.553
tors. eta vs tors. theta energy: -77.032
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: 6
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -894.442388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.442388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.442388 (E_RNA)
where:
Base-Base interactions energy: -623.048
where: short stacking energy: -240.216
Base-Backbone interact. energy: -2.431
local terms energy: -268.963384
where:
bonds (distance) C4'-P energy: -50.464
bonds (distance) P-C4' energy: -49.563
flat angles C4'-P-C4' energy: -56.458
flat angles P-C4'-P energy: -44.062
tors. eta vs tors. theta energy: -68.416
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: 37
Temperature: 1.050000
Total energy: -868.437602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.437602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.437602 (E_RNA)
where:
Base-Base interactions energy: -595.636
where: short stacking energy: -254.727
Base-Backbone interact. energy: -2.085
local terms energy: -270.717140
where:
bonds (distance) C4'-P energy: -51.633
bonds (distance) P-C4' energy: -43.106
flat angles C4'-P-C4' energy: -61.471
flat angles P-C4'-P energy: -37.337
tors. eta vs tors. theta energy: -77.170
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: 37
Temperature: 1.100000
Total energy: -833.827573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.827573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.827573 (E_RNA)
where:
Base-Base interactions energy: -572.064
where: short stacking energy: -221.747
Base-Backbone interact. energy: -2.875
local terms energy: -258.888272
where:
bonds (distance) C4'-P energy: -56.110
bonds (distance) P-C4' energy: -45.129
flat angles C4'-P-C4' energy: -56.772
flat angles P-C4'-P energy: -39.244
tors. eta vs tors. theta energy: -61.633
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: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -774.749646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.749646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.749646 (E_RNA)
where:
Base-Base interactions energy: -549.635
where: short stacking energy: -214.856
Base-Backbone interact. energy: -0.271
local terms energy: -224.843539
where:
bonds (distance) C4'-P energy: -36.877
bonds (distance) P-C4' energy: -53.491
flat angles C4'-P-C4' energy: -56.028
flat angles P-C4'-P energy: -27.008
tors. eta vs tors. theta energy: -51.440
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: 3
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -747.154284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.154284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.154284 (E_RNA)
where:
Base-Base interactions energy: -530.167
where: short stacking energy: -192.747
Base-Backbone interact. energy: 0.023
local terms energy: -217.010566
where:
bonds (distance) C4'-P energy: -42.222
bonds (distance) P-C4' energy: -46.614
flat angles C4'-P-C4' energy: -49.239
flat angles P-C4'-P energy: -28.092
tors. eta vs tors. theta energy: -50.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -721.041947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.041947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.041947 (E_RNA)
where:
Base-Base interactions energy: -507.846
where: short stacking energy: -214.195
Base-Backbone interact. energy: -2.278
local terms energy: -210.917461
where:
bonds (distance) C4'-P energy: -39.558
bonds (distance) P-C4' energy: -50.364
flat angles C4'-P-C4' energy: -49.351
flat angles P-C4'-P energy: -20.738
tors. eta vs tors. theta energy: -50.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -631.526244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.526244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.526244 (E_RNA)
where:
Base-Base interactions energy: -434.906
where: short stacking energy: -168.656
Base-Backbone interact. energy: -0.439
local terms energy: -196.181047
where:
bonds (distance) C4'-P energy: -42.299
bonds (distance) P-C4' energy: -40.033
flat angles C4'-P-C4' energy: -40.121
flat angles P-C4'-P energy: -37.704
tors. eta vs tors. theta energy: -36.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -530.449089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.449089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.449089 (E_RNA)
where:
Base-Base interactions energy: -354.347
where: short stacking energy: -158.895
Base-Backbone interact. energy: -0.464
local terms energy: -175.638015
where:
bonds (distance) C4'-P energy: -37.546
bonds (distance) P-C4' energy: -46.372
flat angles C4'-P-C4' energy: -30.450
flat angles P-C4'-P energy: -27.035
tors. eta vs tors. theta energy: -34.234
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: 4
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -952.631882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.631882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.631882 (E_RNA)
where:
Base-Base interactions energy: -657.943
where: short stacking energy: -264.177
Base-Backbone interact. energy: -0.862
local terms energy: -293.826868
where:
bonds (distance) C4'-P energy: -51.755
bonds (distance) P-C4' energy: -55.376
flat angles C4'-P-C4' energy: -55.482
flat angles P-C4'-P energy: -46.765
tors. eta vs tors. theta energy: -84.449
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: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -963.330402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.330402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.330402 (E_RNA)
where:
Base-Base interactions energy: -675.695
where: short stacking energy: -280.891
Base-Backbone interact. energy: -1.809
local terms energy: -285.827025
where:
bonds (distance) C4'-P energy: -46.910
bonds (distance) P-C4' energy: -56.004
flat angles C4'-P-C4' energy: -60.938
flat angles P-C4'-P energy: -41.371
tors. eta vs tors. theta energy: -80.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -920.449161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.449161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.449161 (E_RNA)
where:
Base-Base interactions energy: -634.072
where: short stacking energy: -250.863
Base-Backbone interact. energy: -1.085
local terms energy: -285.292047
where:
bonds (distance) C4'-P energy: -49.748
bonds (distance) P-C4' energy: -52.511
flat angles C4'-P-C4' energy: -56.522
flat angles P-C4'-P energy: -45.994
tors. eta vs tors. theta energy: -80.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -855.983457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.983457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.983457 (E_RNA)
where:
Base-Base interactions energy: -587.081
where: short stacking energy: -240.106
Base-Backbone interact. energy: -2.584
local terms energy: -266.318214
where:
bonds (distance) C4'-P energy: -49.058
bonds (distance) P-C4' energy: -50.019
flat angles C4'-P-C4' energy: -56.574
flat angles P-C4'-P energy: -39.045
tors. eta vs tors. theta energy: -71.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -826.971982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.971982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.971982 (E_RNA)
where:
Base-Base interactions energy: -574.284
where: short stacking energy: -233.291
Base-Backbone interact. energy: -0.998
local terms energy: -251.689407
where:
bonds (distance) C4'-P energy: -54.855
bonds (distance) P-C4' energy: -47.723
flat angles C4'-P-C4' energy: -53.898
flat angles P-C4'-P energy: -35.266
tors. eta vs tors. theta energy: -59.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -811.771702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.771702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.771702 (E_RNA)
where:
Base-Base interactions energy: -554.256
where: short stacking energy: -221.082
Base-Backbone interact. energy: -2.750
local terms energy: -254.765658
where:
bonds (distance) C4'-P energy: -48.125
bonds (distance) P-C4' energy: -55.652
flat angles C4'-P-C4' energy: -51.532
flat angles P-C4'-P energy: -33.681
tors. eta vs tors. theta energy: -65.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -748.019654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.019654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.019654 (E_RNA)
where:
Base-Base interactions energy: -517.667
where: short stacking energy: -212.116
Base-Backbone interact. energy: -3.491
local terms energy: -226.861731
where:
bonds (distance) C4'-P energy: -51.384
bonds (distance) P-C4' energy: -45.769
flat angles C4'-P-C4' energy: -36.992
flat angles P-C4'-P energy: -42.386
tors. eta vs tors. theta energy: -50.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -684.671143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.671143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.671143 (E_RNA)
where:
Base-Base interactions energy: -458.460
where: short stacking energy: -192.065
Base-Backbone interact. energy: -1.170
local terms energy: -225.041397
where:
bonds (distance) C4'-P energy: -51.281
bonds (distance) P-C4' energy: -48.242
flat angles C4'-P-C4' energy: -53.153
flat angles P-C4'-P energy: -33.622
tors. eta vs tors. theta energy: -38.743
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: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -589.834447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.834447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.834447 (E_RNA)
where:
Base-Base interactions energy: -371.930
where: short stacking energy: -169.317
Base-Backbone interact. energy: 0.760
local terms energy: -218.664319
where:
bonds (distance) C4'-P energy: -45.405
bonds (distance) P-C4' energy: -49.984
flat angles C4'-P-C4' energy: -51.105
flat angles P-C4'-P energy: -36.882
tors. eta vs tors. theta energy: -35.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -490.662696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.662696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.662696 (E_RNA)
where:
Base-Base interactions energy: -311.529
where: short stacking energy: -135.705
Base-Backbone interact. energy: -0.944
local terms energy: -178.189428
where:
bonds (distance) C4'-P energy: -35.099
bonds (distance) P-C4' energy: -45.571
flat angles C4'-P-C4' energy: -45.636
flat angles P-C4'-P energy: -30.457
tors. eta vs tors. theta energy: -21.426
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: 1, replica: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -972.220020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.220020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.220020 (E_RNA)
where:
Base-Base interactions energy: -687.143
where: short stacking energy: -286.599
Base-Backbone interact. energy: -3.191
local terms energy: -281.885724
where:
bonds (distance) C4'-P energy: -46.920
bonds (distance) P-C4' energy: -48.604
flat angles C4'-P-C4' energy: -61.437
flat angles P-C4'-P energy: -40.916
tors. eta vs tors. theta energy: -84.009
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: 6
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -963.537786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.537786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.537786 (E_RNA)
where:
Base-Base interactions energy: -671.489
where: short stacking energy: -264.615
Base-Backbone interact. energy: -2.085
local terms energy: -289.964110
where:
bonds (distance) C4'-P energy: -56.408
bonds (distance) P-C4' energy: -45.899
flat angles C4'-P-C4' energy: -61.855
flat angles P-C4'-P energy: -46.842
tors. eta vs tors. theta energy: -78.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -940.766807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.766807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.766807 (E_RNA)
where:
Base-Base interactions energy: -667.128
where: short stacking energy: -274.042
Base-Backbone interact. energy: -1.401
local terms energy: -272.238206
where:
bonds (distance) C4'-P energy: -49.567
bonds (distance) P-C4' energy: -47.132
flat angles C4'-P-C4' energy: -56.152
flat angles P-C4'-P energy: -31.501
tors. eta vs tors. theta energy: -87.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -839.267830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.267830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.267830 (E_RNA)
where:
Base-Base interactions energy: -595.540
where: short stacking energy: -243.482
Base-Backbone interact. energy: -1.853
local terms energy: -241.874601
where:
bonds (distance) C4'-P energy: -42.597
bonds (distance) P-C4' energy: -52.355
flat angles C4'-P-C4' energy: -49.901
flat angles P-C4'-P energy: -34.341
tors. eta vs tors. theta energy: -62.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -834.652021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.652021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.652021 (E_RNA)
where:
Base-Base interactions energy: -578.733
where: short stacking energy: -236.163
Base-Backbone interact. energy: -0.843
local terms energy: -255.076023
where:
bonds (distance) C4'-P energy: -42.777
bonds (distance) P-C4' energy: -53.515
flat angles C4'-P-C4' energy: -50.483
flat angles P-C4'-P energy: -39.539
tors. eta vs tors. theta energy: -68.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -810.641986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.641986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.641986 (E_RNA)
where:
Base-Base interactions energy: -562.907
where: short stacking energy: -225.594
Base-Backbone interact. energy: -2.383
local terms energy: -245.351043
where:
bonds (distance) C4'-P energy: -39.965
bonds (distance) P-C4' energy: -47.202
flat angles C4'-P-C4' energy: -52.251
flat angles P-C4'-P energy: -37.457
tors. eta vs tors. theta energy: -68.476
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: 3
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -739.759810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.759810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.759810 (E_RNA)
where:
Base-Base interactions energy: -515.998
where: short stacking energy: -211.942
Base-Backbone interact. energy: -2.026
local terms energy: -221.735479
where:
bonds (distance) C4'-P energy: -44.869
bonds (distance) P-C4' energy: -42.725
flat angles C4'-P-C4' energy: -49.224
flat angles P-C4'-P energy: -31.500
tors. eta vs tors. theta energy: -53.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -659.584528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.584528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.584528 (E_RNA)
where:
Base-Base interactions energy: -464.836
where: short stacking energy: -175.430
Base-Backbone interact. energy: -1.000
local terms energy: -193.748823
where:
bonds (distance) C4'-P energy: -36.045
bonds (distance) P-C4' energy: -43.317
flat angles C4'-P-C4' energy: -50.028
flat angles P-C4'-P energy: -31.016
tors. eta vs tors. theta energy: -33.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -604.256284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.256284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.256284 (E_RNA)
where:
Base-Base interactions energy: -396.928
where: short stacking energy: -162.807
Base-Backbone interact. energy: -0.748
local terms energy: -206.580335
where:
bonds (distance) C4'-P energy: -42.232
bonds (distance) P-C4' energy: -40.236
flat angles C4'-P-C4' energy: -46.395
flat angles P-C4'-P energy: -39.316
tors. eta vs tors. theta energy: -38.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -518.942187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.942187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.942187 (E_RNA)
where:
Base-Base interactions energy: -326.540
where: short stacking energy: -144.730
Base-Backbone interact. energy: 2.384
local terms energy: -194.786427
where:
bonds (distance) C4'-P energy: -48.210
bonds (distance) P-C4' energy: -43.945
flat angles C4'-P-C4' energy: -41.237
flat angles P-C4'-P energy: -32.046
tors. eta vs tors. theta energy: -29.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -965.327036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.327036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.327036 (E_RNA)
where:
Base-Base interactions energy: -679.076
where: short stacking energy: -271.667
Base-Backbone interact. energy: -1.109
local terms energy: -285.141940
where:
bonds (distance) C4'-P energy: -51.812
bonds (distance) P-C4' energy: -52.767
flat angles C4'-P-C4' energy: -61.642
flat angles P-C4'-P energy: -40.684
tors. eta vs tors. theta energy: -78.237
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: 6
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -957.924243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.924243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.924243 (E_RNA)
where:
Base-Base interactions energy: -668.458
where: short stacking energy: -269.295
Base-Backbone interact. energy: -2.300
local terms energy: -287.166072
where:
bonds (distance) C4'-P energy: -49.657
bonds (distance) P-C4' energy: -58.813
flat angles C4'-P-C4' energy: -58.954
flat angles P-C4'-P energy: -40.366
tors. eta vs tors. theta energy: -79.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -940.538644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.538644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.538644 (E_RNA)
where:
Base-Base interactions energy: -662.470
where: short stacking energy: -291.405
Base-Backbone interact. energy: -1.847
local terms energy: -276.221987
where:
bonds (distance) C4'-P energy: -50.771
bonds (distance) P-C4' energy: -47.790
flat angles C4'-P-C4' energy: -52.088
flat angles P-C4'-P energy: -35.183
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: 4, replica: 10
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -829.080576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.080576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.080576 (E_RNA)
where:
Base-Base interactions energy: -584.121
where: short stacking energy: -242.540
Base-Backbone interact. energy: -0.645
local terms energy: -244.314401
where:
bonds (distance) C4'-P energy: -52.648
bonds (distance) P-C4' energy: -42.644
flat angles C4'-P-C4' energy: -46.885
flat angles P-C4'-P energy: -35.775
tors. eta vs tors. theta energy: -66.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -813.368532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.368532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.368532 (E_RNA)
where:
Base-Base interactions energy: -562.106
where: short stacking energy: -226.461
Base-Backbone interact. energy: -1.429
local terms energy: -249.834081
where:
bonds (distance) C4'-P energy: -41.963
bonds (distance) P-C4' energy: -46.928
flat angles C4'-P-C4' energy: -59.374
flat angles P-C4'-P energy: -36.586
tors. eta vs tors. theta energy: -64.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -797.094908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.094908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.094908 (E_RNA)
where:
Base-Base interactions energy: -544.249
where: short stacking energy: -232.895
Base-Backbone interact. energy: -2.511
local terms energy: -250.335237
where:
bonds (distance) C4'-P energy: -48.102
bonds (distance) P-C4' energy: -38.675
flat angles C4'-P-C4' energy: -55.963
flat angles P-C4'-P energy: -39.115
tors. eta vs tors. theta energy: -68.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -724.028643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.028643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.028643 (E_RNA)
where:
Base-Base interactions energy: -520.241
where: short stacking energy: -224.388
Base-Backbone interact. energy: -0.731
local terms energy: -203.056818
where:
bonds (distance) C4'-P energy: -34.682
bonds (distance) P-C4' energy: -48.203
flat angles C4'-P-C4' energy: -46.265
flat angles P-C4'-P energy: -18.694
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: 8, replica: 7
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -691.060115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.060115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.060115 (E_RNA)
where:
Base-Base interactions energy: -453.190
where: short stacking energy: -183.480
Base-Backbone interact. energy: -0.517
local terms energy: -237.353454
where:
bonds (distance) C4'-P energy: -43.004
bonds (distance) P-C4' energy: -52.718
flat angles C4'-P-C4' energy: -57.735
flat angles P-C4'-P energy: -38.594
tors. eta vs tors. theta energy: -45.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -590.570063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.570063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.570063 (E_RNA)
where:
Base-Base interactions energy: -377.372
where: short stacking energy: -160.064
Base-Backbone interact. energy: 0.705
local terms energy: -213.903307
where:
bonds (distance) C4'-P energy: -42.026
bonds (distance) P-C4' energy: -52.640
flat angles C4'-P-C4' energy: -43.485
flat angles P-C4'-P energy: -38.985
tors. eta vs tors. theta energy: -36.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -485.047751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.047751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.047751 (E_RNA)
where:
Base-Base interactions energy: -313.011
where: short stacking energy: -135.162
Base-Backbone interact. energy: 3.885
local terms energy: -175.921416
where:
bonds (distance) C4'-P energy: -41.435
bonds (distance) P-C4' energy: -36.115
flat angles C4'-P-C4' energy: -50.125
flat angles P-C4'-P energy: -23.854
tors. eta vs tors. theta energy: -24.393
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: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -964.979783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.979783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.979783 (E_RNA)
where:
Base-Base interactions energy: -679.940
where: short stacking energy: -284.882
Base-Backbone interact. energy: -1.090
local terms energy: -283.949584
where:
bonds (distance) C4'-P energy: -53.614
bonds (distance) P-C4' energy: -51.200
flat angles C4'-P-C4' energy: -56.910
flat angles P-C4'-P energy: -39.437
tors. eta vs tors. theta energy: -82.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -957.176373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.176373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.176373 (E_RNA)
where:
Base-Base interactions energy: -655.328
where: short stacking energy: -262.829
Base-Backbone interact. energy: 0.718
local terms energy: -302.566650
where:
bonds (distance) C4'-P energy: -62.666
bonds (distance) P-C4' energy: -49.984
flat angles C4'-P-C4' energy: -56.132
flat angles P-C4'-P energy: -51.956
tors. eta vs tors. theta energy: -81.829
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: 41
Temperature: 1.000000
Total energy: -931.214525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.214525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.214525 (E_RNA)
where:
Base-Base interactions energy: -641.319
where: short stacking energy: -261.582
Base-Backbone interact. energy: -1.005
local terms energy: -288.890249
where:
bonds (distance) C4'-P energy: -57.849
bonds (distance) P-C4' energy: -51.917
flat angles C4'-P-C4' energy: -60.461
flat angles P-C4'-P energy: -31.609
tors. eta vs tors. theta energy: -87.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -826.603917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.603917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.603917 (E_RNA)
where:
Base-Base interactions energy: -573.307
where: short stacking energy: -236.684
Base-Backbone interact. energy: -0.986
local terms energy: -252.310532
where:
bonds (distance) C4'-P energy: -55.919
bonds (distance) P-C4' energy: -49.172
flat angles C4'-P-C4' energy: -50.640
flat angles P-C4'-P energy: -39.884
tors. eta vs tors. theta energy: -56.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -809.665738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.665738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.665738 (E_RNA)
where:
Base-Base interactions energy: -552.986
where: short stacking energy: -234.123
Base-Backbone interact. energy: 2.481
local terms energy: -259.159906
where:
bonds (distance) C4'-P energy: -53.502
bonds (distance) P-C4' energy: -51.580
flat angles C4'-P-C4' energy: -52.528
flat angles P-C4'-P energy: -31.372
tors. eta vs tors. theta energy: -70.178
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: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -811.030168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.030168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.030168 (E_RNA)
where:
Base-Base interactions energy: -562.626
where: short stacking energy: -247.684
Base-Backbone interact. energy: -1.757
local terms energy: -246.646940
where:
bonds (distance) C4'-P energy: -45.495
bonds (distance) P-C4' energy: -51.904
flat angles C4'-P-C4' energy: -57.502
flat angles P-C4'-P energy: -31.014
tors. eta vs tors. theta energy: -60.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -734.771275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.771275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.771275 (E_RNA)
where:
Base-Base interactions energy: -514.910
where: short stacking energy: -217.484
Base-Backbone interact. energy: -1.420
local terms energy: -218.440830
where:
bonds (distance) C4'-P energy: -34.576
bonds (distance) P-C4' energy: -45.977
flat angles C4'-P-C4' energy: -48.080
flat angles P-C4'-P energy: -34.159
tors. eta vs tors. theta energy: -55.649
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: 41
Temperature: 1.250000
Total energy: -714.034123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.034123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.034123 (E_RNA)
where:
Base-Base interactions energy: -499.275
where: short stacking energy: -211.593
Base-Backbone interact. energy: -1.568
local terms energy: -213.190844
where:
bonds (distance) C4'-P energy: -47.242
bonds (distance) P-C4' energy: -41.663
flat angles C4'-P-C4' energy: -42.282
flat angles P-C4'-P energy: -36.286
tors. eta vs tors. theta energy: -45.718
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: 8
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -570.181002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.181002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.181002 (E_RNA)
where:
Base-Base interactions energy: -378.213
where: short stacking energy: -165.079
Base-Backbone interact. energy: -1.443
local terms energy: -190.525070
where:
bonds (distance) C4'-P energy: -33.139
bonds (distance) P-C4' energy: -47.984
flat angles C4'-P-C4' energy: -49.882
flat angles P-C4'-P energy: -24.675
tors. eta vs tors. theta energy: -34.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -543.227300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.227300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.227300 (E_RNA)
where:
Base-Base interactions energy: -345.129
where: short stacking energy: -155.708
Base-Backbone interact. energy: -1.357
local terms energy: -196.741801
where:
bonds (distance) C4'-P energy: -49.578
bonds (distance) P-C4' energy: -41.988
flat angles C4'-P-C4' energy: -47.263
flat angles P-C4'-P energy: -21.428
tors. eta vs tors. theta energy: -36.485
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: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -986.019880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.019880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.019880 (E_RNA)
where:
Base-Base interactions energy: -682.954
where: short stacking energy: -281.795
Base-Backbone interact. energy: -1.562
local terms energy: -301.503134
where:
bonds (distance) C4'-P energy: -57.577
bonds (distance) P-C4' energy: -53.849
flat angles C4'-P-C4' energy: -61.939
flat angles P-C4'-P energy: -41.510
tors. eta vs tors. theta energy: -86.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -952.380840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.380840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.380840 (E_RNA)
where:
Base-Base interactions energy: -663.728
where: short stacking energy: -255.831
Base-Backbone interact. energy: -3.101
local terms energy: -285.552104
where:
bonds (distance) C4'-P energy: -47.482
bonds (distance) P-C4' energy: -54.736
flat angles C4'-P-C4' energy: -58.185
flat angles P-C4'-P energy: -42.049
tors. eta vs tors. theta energy: -83.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -853.798528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.798528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.798528 (E_RNA)
where:
Base-Base interactions energy: -607.501
where: short stacking energy: -245.536
Base-Backbone interact. energy: -1.414
local terms energy: -244.883479
where:
bonds (distance) C4'-P energy: -55.000
bonds (distance) P-C4' energy: -47.591
flat angles C4'-P-C4' energy: -51.869
flat angles P-C4'-P energy: -34.677
tors. eta vs tors. theta energy: -55.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -878.946236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.946236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.946236 (E_RNA)
where:
Base-Base interactions energy: -615.523
where: short stacking energy: -253.507
Base-Backbone interact. energy: -2.081
local terms energy: -261.341899
where:
bonds (distance) C4'-P energy: -52.902
bonds (distance) P-C4' energy: -46.335
flat angles C4'-P-C4' energy: -53.586
flat angles P-C4'-P energy: -36.992
tors. eta vs tors. theta energy: -71.527
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: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -826.932202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.932202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.932202 (E_RNA)
where:
Base-Base interactions energy: -556.624
where: short stacking energy: -247.817
Base-Backbone interact. energy: -2.030
local terms energy: -268.278788
where:
bonds (distance) C4'-P energy: -53.400
bonds (distance) P-C4' energy: -53.428
flat angles C4'-P-C4' energy: -49.474
flat angles P-C4'-P energy: -39.384
tors. eta vs tors. theta energy: -72.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -789.761482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.761482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.761482 (E_RNA)
where:
Base-Base interactions energy: -546.405
where: short stacking energy: -234.261
Base-Backbone interact. energy: 2.641
local terms energy: -245.997415
where:
bonds (distance) C4'-P energy: -46.668
bonds (distance) P-C4' energy: -46.335
flat angles C4'-P-C4' energy: -51.707
flat angles P-C4'-P energy: -32.686
tors. eta vs tors. theta energy: -68.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -723.371581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.371581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.371581 (E_RNA)
where:
Base-Base interactions energy: -497.155
where: short stacking energy: -207.985
Base-Backbone interact. energy: -0.883
local terms energy: -225.333913
where:
bonds (distance) C4'-P energy: -44.278
bonds (distance) P-C4' energy: -35.215
flat angles C4'-P-C4' energy: -54.132
flat angles P-C4'-P energy: -38.509
tors. eta vs tors. theta energy: -53.200
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: 42
Temperature: 1.250000
Total energy: -688.586796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.586796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.586796 (E_RNA)
where:
Base-Base interactions energy: -490.921
where: short stacking energy: -206.007
Base-Backbone interact. energy: -1.117
local terms energy: -196.548046
where:
bonds (distance) C4'-P energy: -44.521
bonds (distance) P-C4' energy: -40.217
flat angles C4'-P-C4' energy: -41.800
flat angles P-C4'-P energy: -28.047
tors. eta vs tors. theta energy: -41.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -597.578565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.578565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.578565 (E_RNA)
where:
Base-Base interactions energy: -388.036
where: short stacking energy: -161.147
Base-Backbone interact. energy: -0.090
local terms energy: -209.453103
where:
bonds (distance) C4'-P energy: -48.552
bonds (distance) P-C4' energy: -56.073
flat angles C4'-P-C4' energy: -43.910
flat angles P-C4'-P energy: -26.790
tors. eta vs tors. theta energy: -34.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -533.279444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.279444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.279444 (E_RNA)
where:
Base-Base interactions energy: -338.740
where: short stacking energy: -161.547
Base-Backbone interact. energy: 1.841
local terms energy: -196.379718
where:
bonds (distance) C4'-P energy: -41.889
bonds (distance) P-C4' energy: -52.176
flat angles C4'-P-C4' energy: -46.302
flat angles P-C4'-P energy: -17.718
tors. eta vs tors. theta energy: -38.295
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: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -983.781022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.781022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.781022 (E_RNA)
where:
Base-Base interactions energy: -688.828
where: short stacking energy: -276.267
Base-Backbone interact. energy: -2.593
local terms energy: -292.359769
where:
bonds (distance) C4'-P energy: -46.983
bonds (distance) P-C4' energy: -49.971
flat angles C4'-P-C4' energy: -67.190
flat angles P-C4'-P energy: -42.587
tors. eta vs tors. theta energy: -85.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -955.355810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.355810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.355810 (E_RNA)
where:
Base-Base interactions energy: -669.346
where: short stacking energy: -271.822
Base-Backbone interact. energy: -1.700
local terms energy: -284.310443
where:
bonds (distance) C4'-P energy: -51.926
bonds (distance) P-C4' energy: -53.165
flat angles C4'-P-C4' energy: -60.735
flat angles P-C4'-P energy: -39.428
tors. eta vs tors. theta energy: -79.057
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: 10
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -834.576696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.576696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.576696 (E_RNA)
where:
Base-Base interactions energy: -601.353
where: short stacking energy: -224.428
Base-Backbone interact. energy: -0.698
local terms energy: -232.525400
where:
bonds (distance) C4'-P energy: -56.705
bonds (distance) P-C4' energy: -38.037
flat angles C4'-P-C4' energy: -54.226
flat angles P-C4'-P energy: -32.768
tors. eta vs tors. theta energy: -50.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -879.962191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.962191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.962191 (E_RNA)
where:
Base-Base interactions energy: -600.189
where: short stacking energy: -248.065
Base-Backbone interact. energy: -1.097
local terms energy: -278.676332
where:
bonds (distance) C4'-P energy: -42.051
bonds (distance) P-C4' energy: -55.513
flat angles C4'-P-C4' energy: -55.510
flat angles P-C4'-P energy: -48.748
tors. eta vs tors. theta energy: -76.854
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: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -822.473897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.473897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.473897 (E_RNA)
where:
Base-Base interactions energy: -571.321
where: short stacking energy: -245.470
Base-Backbone interact. energy: 0.407
local terms energy: -251.560135
where:
bonds (distance) C4'-P energy: -43.216
bonds (distance) P-C4' energy: -55.140
flat angles C4'-P-C4' energy: -61.032
flat angles P-C4'-P energy: -28.504
tors. eta vs tors. theta energy: -63.668
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: 43
Temperature: 1.150000
Total energy: -804.118537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.118537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.118537 (E_RNA)
where:
Base-Base interactions energy: -567.325
where: short stacking energy: -215.278
Base-Backbone interact. energy: -1.723
local terms energy: -235.070182
where:
bonds (distance) C4'-P energy: -44.214
bonds (distance) P-C4' energy: -42.764
flat angles C4'-P-C4' energy: -56.808
flat angles P-C4'-P energy: -34.485
tors. eta vs tors. theta energy: -56.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -743.700021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.700021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.700021 (E_RNA)
where:
Base-Base interactions energy: -482.622
where: short stacking energy: -224.091
Base-Backbone interact. energy: -1.590
local terms energy: -259.487791
where:
bonds (distance) C4'-P energy: -57.607
bonds (distance) P-C4' energy: -47.362
flat angles C4'-P-C4' energy: -61.901
flat angles P-C4'-P energy: -30.958
tors. eta vs tors. theta energy: -61.660
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: 43
Temperature: 1.250000
Total energy: -719.761875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.761875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.761875 (E_RNA)
where:
Base-Base interactions energy: -494.482
where: short stacking energy: -198.008
Base-Backbone interact. energy: -0.486
local terms energy: -224.794049
where:
bonds (distance) C4'-P energy: -46.371
bonds (distance) P-C4' energy: -48.903
flat angles C4'-P-C4' energy: -44.442
flat angles P-C4'-P energy: -31.778
tors. eta vs tors. theta energy: -53.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -600.904401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.904401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.904401 (E_RNA)
where:
Base-Base interactions energy: -403.746
where: short stacking energy: -175.561
Base-Backbone interact. energy: 0.953
local terms energy: -198.110517
where:
bonds (distance) C4'-P energy: -43.285
bonds (distance) P-C4' energy: -47.554
flat angles C4'-P-C4' energy: -40.540
flat angles P-C4'-P energy: -31.728
tors. eta vs tors. theta energy: -35.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -505.262621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.262621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.262621 (E_RNA)
where:
Base-Base interactions energy: -329.013
where: short stacking energy: -165.713
Base-Backbone interact. energy: 1.212
local terms energy: -177.461626
where:
bonds (distance) C4'-P energy: -28.920
bonds (distance) P-C4' energy: -40.612
flat angles C4'-P-C4' energy: -51.530
flat angles P-C4'-P energy: -21.411
tors. eta vs tors. theta energy: -34.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -965.029950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.029950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.029950 (E_RNA)
where:
Base-Base interactions energy: -678.053
where: short stacking energy: -262.826
Base-Backbone interact. energy: -1.730
local terms energy: -285.246693
where:
bonds (distance) C4'-P energy: -52.709
bonds (distance) P-C4' energy: -53.281
flat angles C4'-P-C4' energy: -55.516
flat angles P-C4'-P energy: -42.645
tors. eta vs tors. theta energy: -81.095
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: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -937.671427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.671427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.671427 (E_RNA)
where:
Base-Base interactions energy: -660.353
where: short stacking energy: -279.028
Base-Backbone interact. energy: 0.505
local terms energy: -277.823592
where:
bonds (distance) C4'-P energy: -50.856
bonds (distance) P-C4' energy: -54.627
flat angles C4'-P-C4' energy: -53.009
flat angles P-C4'-P energy: -43.069
tors. eta vs tors. theta energy: -76.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -873.129956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.129956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.129956 (E_RNA)
where:
Base-Base interactions energy: -614.691
where: short stacking energy: -249.669
Base-Backbone interact. energy: -1.496
local terms energy: -256.943249
where:
bonds (distance) C4'-P energy: -51.529
bonds (distance) P-C4' energy: -47.669
flat angles C4'-P-C4' energy: -59.005
flat angles P-C4'-P energy: -39.302
tors. eta vs tors. theta energy: -59.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -862.775499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.775499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.775499 (E_RNA)
where:
Base-Base interactions energy: -603.173
where: short stacking energy: -255.633
Base-Backbone interact. energy: -0.557
local terms energy: -259.045188
where:
bonds (distance) C4'-P energy: -46.909
bonds (distance) P-C4' energy: -36.718
flat angles C4'-P-C4' energy: -61.292
flat angles P-C4'-P energy: -42.680
tors. eta vs tors. theta energy: -71.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -814.181925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.181925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.181925 (E_RNA)
where:
Base-Base interactions energy: -568.458
where: short stacking energy: -222.349
Base-Backbone interact. energy: -1.164
local terms energy: -244.559603
where:
bonds (distance) C4'-P energy: -42.853
bonds (distance) P-C4' energy: -47.809
flat angles C4'-P-C4' energy: -55.714
flat angles P-C4'-P energy: -37.771
tors. eta vs tors. theta energy: -60.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -822.703240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.703240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.703240 (E_RNA)
where:
Base-Base interactions energy: -589.666
where: short stacking energy: -222.912
Base-Backbone interact. energy: -0.640
local terms energy: -232.397519
where:
bonds (distance) C4'-P energy: -35.542
bonds (distance) P-C4' energy: -51.769
flat angles C4'-P-C4' energy: -53.270
flat angles P-C4'-P energy: -27.557
tors. eta vs tors. theta energy: -64.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -733.713098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.713098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.713098 (E_RNA)
where:
Base-Base interactions energy: -511.422
where: short stacking energy: -213.612
Base-Backbone interact. energy: -0.512
local terms energy: -221.778910
where:
bonds (distance) C4'-P energy: -42.168
bonds (distance) P-C4' energy: -39.778
flat angles C4'-P-C4' energy: -54.189
flat angles P-C4'-P energy: -35.276
tors. eta vs tors. theta energy: -50.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -705.565847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.565847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.565847 (E_RNA)
where:
Base-Base interactions energy: -506.510
where: short stacking energy: -199.754
Base-Backbone interact. energy: 0.442
local terms energy: -199.498768
where:
bonds (distance) C4'-P energy: -30.170
bonds (distance) P-C4' energy: -47.665
flat angles C4'-P-C4' energy: -53.628
flat angles P-C4'-P energy: -22.113
tors. eta vs tors. theta energy: -45.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -592.223600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.223600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.223600 (E_RNA)
where:
Base-Base interactions energy: -387.268
where: short stacking energy: -171.717
Base-Backbone interact. energy: -0.795
local terms energy: -204.159995
where:
bonds (distance) C4'-P energy: -40.537
bonds (distance) P-C4' energy: -40.849
flat angles C4'-P-C4' energy: -51.993
flat angles P-C4'-P energy: -35.631
tors. eta vs tors. theta energy: -35.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -516.581959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.581959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.581959 (E_RNA)
where:
Base-Base interactions energy: -344.108
where: short stacking energy: -160.908
Base-Backbone interact. energy: -1.021
local terms energy: -171.452848
where:
bonds (distance) C4'-P energy: -31.288
bonds (distance) P-C4' energy: -46.259
flat angles C4'-P-C4' energy: -38.032
flat angles P-C4'-P energy: -24.624
tors. eta vs tors. theta energy: -31.249
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: 1, replica: 6
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -973.192169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.192169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.192169 (E_RNA)
where:
Base-Base interactions energy: -665.852
where: short stacking energy: -270.701
Base-Backbone interact. energy: -2.559
local terms energy: -304.781352
where:
bonds (distance) C4'-P energy: -62.894
bonds (distance) P-C4' energy: -57.955
flat angles C4'-P-C4' energy: -53.222
flat angles P-C4'-P energy: -47.659
tors. eta vs tors. theta energy: -83.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -928.713948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.713948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.713948 (E_RNA)
where:
Base-Base interactions energy: -656.098
where: short stacking energy: -262.595
Base-Backbone interact. energy: -2.765
local terms energy: -269.850344
where:
bonds (distance) C4'-P energy: -48.377
bonds (distance) P-C4' energy: -54.257
flat angles C4'-P-C4' energy: -54.294
flat angles P-C4'-P energy: -38.332
tors. eta vs tors. theta energy: -74.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -867.667603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.667603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.667603 (E_RNA)
where:
Base-Base interactions energy: -595.597
where: short stacking energy: -245.158
Base-Backbone interact. energy: -1.246
local terms energy: -270.824443
where:
bonds (distance) C4'-P energy: -53.224
bonds (distance) P-C4' energy: -41.029
flat angles C4'-P-C4' energy: -59.784
flat angles P-C4'-P energy: -42.761
tors. eta vs tors. theta energy: -74.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -865.232769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.232769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.232769 (E_RNA)
where:
Base-Base interactions energy: -606.772
where: short stacking energy: -233.696
Base-Backbone interact. energy: -1.968
local terms energy: -256.492644
where:
bonds (distance) C4'-P energy: -53.057
bonds (distance) P-C4' energy: -44.330
flat angles C4'-P-C4' energy: -57.239
flat angles P-C4'-P energy: -41.235
tors. eta vs tors. theta energy: -60.632
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: 2
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -842.419543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.419543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.419543 (E_RNA)
where:
Base-Base interactions energy: -566.791
where: short stacking energy: -220.191
Base-Backbone interact. energy: 0.051
local terms energy: -275.678861
where:
bonds (distance) C4'-P energy: -49.932
bonds (distance) P-C4' energy: -46.671
flat angles C4'-P-C4' energy: -63.393
flat angles P-C4'-P energy: -42.828
tors. eta vs tors. theta energy: -72.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -822.042890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.042890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.042890 (E_RNA)
where:
Base-Base interactions energy: -555.393
where: short stacking energy: -237.943
Base-Backbone interact. energy: -2.473
local terms energy: -264.176083
where:
bonds (distance) C4'-P energy: -53.458
bonds (distance) P-C4' energy: -48.513
flat angles C4'-P-C4' energy: -58.762
flat angles P-C4'-P energy: -39.057
tors. eta vs tors. theta energy: -64.386
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: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -754.090618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.090618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.090618 (E_RNA)
where:
Base-Base interactions energy: -507.353
where: short stacking energy: -207.912
Base-Backbone interact. energy: -1.705
local terms energy: -245.033041
where:
bonds (distance) C4'-P energy: -53.906
bonds (distance) P-C4' energy: -47.392
flat angles C4'-P-C4' energy: -51.285
flat angles P-C4'-P energy: -37.657
tors. eta vs tors. theta energy: -54.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -687.732511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.732511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.732511 (E_RNA)
where:
Base-Base interactions energy: -465.617
where: short stacking energy: -186.920
Base-Backbone interact. energy: -1.446
local terms energy: -220.669273
where:
bonds (distance) C4'-P energy: -47.560
bonds (distance) P-C4' energy: -43.390
flat angles C4'-P-C4' energy: -40.315
flat angles P-C4'-P energy: -35.507
tors. eta vs tors. theta energy: -53.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -566.815760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.815760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.815760 (E_RNA)
where:
Base-Base interactions energy: -380.808
where: short stacking energy: -157.340
Base-Backbone interact. energy: -1.777
local terms energy: -184.231402
where:
bonds (distance) C4'-P energy: -41.710
bonds (distance) P-C4' energy: -46.630
flat angles C4'-P-C4' energy: -42.126
flat angles P-C4'-P energy: -28.830
tors. eta vs tors. theta energy: -24.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -552.920379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.920379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.920379 (E_RNA)
where:
Base-Base interactions energy: -351.976
where: short stacking energy: -169.900
Base-Backbone interact. energy: -0.090
local terms energy: -200.855267
where:
bonds (distance) C4'-P energy: -37.959
bonds (distance) P-C4' energy: -44.261
flat angles C4'-P-C4' energy: -49.381
flat angles P-C4'-P energy: -31.380
tors. eta vs tors. theta energy: -37.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -966.591534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.591534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.591534 (E_RNA)
where:
Base-Base interactions energy: -661.745
where: short stacking energy: -272.709
Base-Backbone interact. energy: -2.123
local terms energy: -302.723121
where:
bonds (distance) C4'-P energy: -50.534
bonds (distance) P-C4' energy: -55.453
flat angles C4'-P-C4' energy: -65.110
flat angles P-C4'-P energy: -47.806
tors. eta vs tors. theta energy: -83.821
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: 4
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -930.563696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.563696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.563696 (E_RNA)
where:
Base-Base interactions energy: -661.532
where: short stacking energy: -250.307
Base-Backbone interact. energy: 0.416
local terms energy: -269.447965
where:
bonds (distance) C4'-P energy: -43.561
bonds (distance) P-C4' energy: -54.330
flat angles C4'-P-C4' energy: -55.495
flat angles P-C4'-P energy: -41.131
tors. eta vs tors. theta energy: -74.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -888.987634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.987634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.987634 (E_RNA)
where:
Base-Base interactions energy: -628.040
where: short stacking energy: -241.414
Base-Backbone interact. energy: -0.094
local terms energy: -260.854295
where:
bonds (distance) C4'-P energy: -49.785
bonds (distance) P-C4' energy: -45.516
flat angles C4'-P-C4' energy: -60.898
flat angles P-C4'-P energy: -37.821
tors. eta vs tors. theta energy: -66.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -851.192578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.192578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.192578 (E_RNA)
where:
Base-Base interactions energy: -592.693
where: short stacking energy: -238.446
Base-Backbone interact. energy: -0.177
local terms energy: -258.322267
where:
bonds (distance) C4'-P energy: -46.854
bonds (distance) P-C4' energy: -54.776
flat angles C4'-P-C4' energy: -60.054
flat angles P-C4'-P energy: -37.896
tors. eta vs tors. theta energy: -58.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -836.520332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.520332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.520332 (E_RNA)
where:
Base-Base interactions energy: -580.929
where: short stacking energy: -249.117
Base-Backbone interact. energy: -0.622
local terms energy: -254.969444
where:
bonds (distance) C4'-P energy: -49.792
bonds (distance) P-C4' energy: -47.560
flat angles C4'-P-C4' energy: -49.510
flat angles P-C4'-P energy: -33.145
tors. eta vs tors. theta energy: -74.963
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: 46
Temperature: 1.150000
Total energy: -806.476276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.476276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.476276 (E_RNA)
where:
Base-Base interactions energy: -570.454
where: short stacking energy: -232.020
Base-Backbone interact. energy: 2.558
local terms energy: -238.580197
where:
bonds (distance) C4'-P energy: -44.003
bonds (distance) P-C4' energy: -45.091
flat angles C4'-P-C4' energy: -51.028
flat angles P-C4'-P energy: -36.196
tors. eta vs tors. theta energy: -62.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -750.266455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.266455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.266455 (E_RNA)
where:
Base-Base interactions energy: -519.776
where: short stacking energy: -213.038
Base-Backbone interact. energy: 3.488
local terms energy: -233.978305
where:
bonds (distance) C4'-P energy: -53.535
bonds (distance) P-C4' energy: -45.353
flat angles C4'-P-C4' energy: -47.183
flat angles P-C4'-P energy: -33.143
tors. eta vs tors. theta energy: -54.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -639.567885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.567885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.567885 (E_RNA)
where:
Base-Base interactions energy: -424.577
where: short stacking energy: -171.449
Base-Backbone interact. energy: -1.998
local terms energy: -212.992347
where:
bonds (distance) C4'-P energy: -43.402
bonds (distance) P-C4' energy: -41.253
flat angles C4'-P-C4' energy: -52.380
flat angles P-C4'-P energy: -39.554
tors. eta vs tors. theta energy: -36.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -566.636820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.636820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.636820 (E_RNA)
where:
Base-Base interactions energy: -346.318
where: short stacking energy: -146.202
Base-Backbone interact. energy: 5.187
local terms energy: -225.505651
where:
bonds (distance) C4'-P energy: -56.452
bonds (distance) P-C4' energy: -47.472
flat angles C4'-P-C4' energy: -54.458
flat angles P-C4'-P energy: -36.164
tors. eta vs tors. theta energy: -30.958
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: 46
Temperature: 1.350000
Total energy: -479.102309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.102309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.102309 (E_RNA)
where:
Base-Base interactions energy: -301.741
where: short stacking energy: -142.380
Base-Backbone interact. energy: 2.868
local terms energy: -180.229475
where:
bonds (distance) C4'-P energy: -46.356
bonds (distance) P-C4' energy: -48.737
flat angles C4'-P-C4' energy: -44.055
flat angles P-C4'-P energy: -16.677
tors. eta vs tors. theta energy: -24.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -966.594542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.594542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.594542 (E_RNA)
where:
Base-Base interactions energy: -663.503
where: short stacking energy: -266.019
Base-Backbone interact. energy: -3.919
local terms energy: -299.172456
where:
bonds (distance) C4'-P energy: -51.849
bonds (distance) P-C4' energy: -57.330
flat angles C4'-P-C4' energy: -62.942
flat angles P-C4'-P energy: -42.639
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: 2, replica: 10
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -942.141707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.141707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.141707 (E_RNA)
where:
Base-Base interactions energy: -658.901
where: short stacking energy: -274.580
Base-Backbone interact. energy: -0.735
local terms energy: -282.506200
where:
bonds (distance) C4'-P energy: -60.307
bonds (distance) P-C4' energy: -48.142
flat angles C4'-P-C4' energy: -59.477
flat angles P-C4'-P energy: -40.063
tors. eta vs tors. theta energy: -74.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -899.542288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.542288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.542288 (E_RNA)
where:
Base-Base interactions energy: -630.304
where: short stacking energy: -256.714
Base-Backbone interact. energy: 0.713
local terms energy: -269.950997
where:
bonds (distance) C4'-P energy: -44.373
bonds (distance) P-C4' energy: -56.341
flat angles C4'-P-C4' energy: -57.746
flat angles P-C4'-P energy: -39.214
tors. eta vs tors. theta energy: -72.278
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: 47
Temperature: 1.050000
Total energy: -819.219811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.219811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.219811 (E_RNA)
where:
Base-Base interactions energy: -574.640
where: short stacking energy: -224.827
Base-Backbone interact. energy: -0.114
local terms energy: -244.465762
where:
bonds (distance) C4'-P energy: -45.081
bonds (distance) P-C4' energy: -39.996
flat angles C4'-P-C4' energy: -56.145
flat angles P-C4'-P energy: -43.607
tors. eta vs tors. theta energy: -59.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -826.977856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.977856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.977856 (E_RNA)
where:
Base-Base interactions energy: -591.647
where: short stacking energy: -225.333
Base-Backbone interact. energy: -0.559
local terms energy: -234.771913
where:
bonds (distance) C4'-P energy: -44.692
bonds (distance) P-C4' energy: -42.359
flat angles C4'-P-C4' energy: -53.321
flat angles P-C4'-P energy: -31.953
tors. eta vs tors. theta energy: -62.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -746.265053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.265053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.265053 (E_RNA)
where:
Base-Base interactions energy: -502.100
where: short stacking energy: -209.567
Base-Backbone interact. energy: -1.470
local terms energy: -242.695278
where:
bonds (distance) C4'-P energy: -53.532
bonds (distance) P-C4' energy: -38.113
flat angles C4'-P-C4' energy: -59.663
flat angles P-C4'-P energy: -37.526
tors. eta vs tors. theta energy: -53.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -805.215213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.215213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.215213 (E_RNA)
where:
Base-Base interactions energy: -563.934
where: short stacking energy: -230.036
Base-Backbone interact. energy: -1.797
local terms energy: -239.484365
where:
bonds (distance) C4'-P energy: -42.129
bonds (distance) P-C4' energy: -41.502
flat angles C4'-P-C4' energy: -58.556
flat angles P-C4'-P energy: -38.737
tors. eta vs tors. theta energy: -58.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -614.409880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.409880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.409880 (E_RNA)
where:
Base-Base interactions energy: -408.410
where: short stacking energy: -181.458
Base-Backbone interact. energy: -1.026
local terms energy: -204.973977
where:
bonds (distance) C4'-P energy: -47.127
bonds (distance) P-C4' energy: -48.466
flat angles C4'-P-C4' energy: -41.386
flat angles P-C4'-P energy: -27.059
tors. eta vs tors. theta energy: -40.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -677.805929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.805929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.805929 (E_RNA)
where:
Base-Base interactions energy: -484.559
where: short stacking energy: -211.588
Base-Backbone interact. energy: -1.218
local terms energy: -192.028596
where:
bonds (distance) C4'-P energy: -31.359
bonds (distance) P-C4' energy: -43.329
flat angles C4'-P-C4' energy: -49.991
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -48.305
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: 47
Temperature: 1.350000
Total energy: -544.061842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.061842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.061842 (E_RNA)
where:
Base-Base interactions energy: -337.738
where: short stacking energy: -167.712
Base-Backbone interact. energy: -0.936
local terms energy: -205.387417
where:
bonds (distance) C4'-P energy: -41.022
bonds (distance) P-C4' energy: -47.212
flat angles C4'-P-C4' energy: -43.112
flat angles P-C4'-P energy: -36.717
tors. eta vs tors. theta energy: -37.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -975.864718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.864718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.864718 (E_RNA)
where:
Base-Base interactions energy: -693.676
where: short stacking energy: -269.470
Base-Backbone interact. energy: -1.999
local terms energy: -280.190184
where:
bonds (distance) C4'-P energy: -53.678
bonds (distance) P-C4' energy: -51.678
flat angles C4'-P-C4' energy: -56.461
flat angles P-C4'-P energy: -39.193
tors. eta vs tors. theta energy: -79.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -928.469261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.469261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.469261 (E_RNA)
where:
Base-Base interactions energy: -642.769
where: short stacking energy: -270.906
Base-Backbone interact. energy: -0.495
local terms energy: -285.204894
where:
bonds (distance) C4'-P energy: -51.575
bonds (distance) P-C4' energy: -43.911
flat angles C4'-P-C4' energy: -62.913
flat angles P-C4'-P energy: -57.137
tors. eta vs tors. theta energy: -69.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -916.820280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.820280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.820280 (E_RNA)
where:
Base-Base interactions energy: -636.482
where: short stacking energy: -253.954
Base-Backbone interact. energy: 0.599
local terms energy: -280.937337
where:
bonds (distance) C4'-P energy: -52.413
bonds (distance) P-C4' energy: -50.376
flat angles C4'-P-C4' energy: -64.121
flat angles P-C4'-P energy: -38.902
tors. eta vs tors. theta energy: -75.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -847.232609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.232609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.232609 (E_RNA)
where:
Base-Base interactions energy: -602.095
where: short stacking energy: -231.238
Base-Backbone interact. energy: -1.251
local terms energy: -243.886544
where:
bonds (distance) C4'-P energy: -50.972
bonds (distance) P-C4' energy: -47.422
flat angles C4'-P-C4' energy: -50.245
flat angles P-C4'-P energy: -39.308
tors. eta vs tors. theta energy: -55.940
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: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -794.948283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.948283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.948283 (E_RNA)
where:
Base-Base interactions energy: -545.431
where: short stacking energy: -215.620
Base-Backbone interact. energy: -2.834
local terms energy: -246.683130
where:
bonds (distance) C4'-P energy: -50.774
bonds (distance) P-C4' energy: -52.518
flat angles C4'-P-C4' energy: -49.065
flat angles P-C4'-P energy: -41.484
tors. eta vs tors. theta energy: -52.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -798.595412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.595412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.595412 (E_RNA)
where:
Base-Base interactions energy: -572.881
where: short stacking energy: -220.993
Base-Backbone interact. energy: 0.798
local terms energy: -226.512916
where:
bonds (distance) C4'-P energy: -48.761
bonds (distance) P-C4' energy: -43.055
flat angles C4'-P-C4' energy: -40.658
flat angles P-C4'-P energy: -31.324
tors. eta vs tors. theta energy: -62.715
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: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -790.193606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.193606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.193606 (E_RNA)
where:
Base-Base interactions energy: -555.833
where: short stacking energy: -230.245
Base-Backbone interact. energy: 1.948
local terms energy: -236.308725
where:
bonds (distance) C4'-P energy: -38.091
bonds (distance) P-C4' energy: -54.605
flat angles C4'-P-C4' energy: -50.057
flat angles P-C4'-P energy: -34.185
tors. eta vs tors. theta energy: -59.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -599.396335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.396335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.396335 (E_RNA)
where:
Base-Base interactions energy: -411.525
where: short stacking energy: -169.188
Base-Backbone interact. energy: -1.108
local terms energy: -186.763480
where:
bonds (distance) C4'-P energy: -37.442
bonds (distance) P-C4' energy: -43.723
flat angles C4'-P-C4' energy: -50.256
flat angles P-C4'-P energy: -22.335
tors. eta vs tors. theta energy: -33.007
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: 3
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -677.012401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.012401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.012401 (E_RNA)
where:
Base-Base interactions energy: -477.806
where: short stacking energy: -182.101
Base-Backbone interact. energy: -0.806
local terms energy: -198.400527
where:
bonds (distance) C4'-P energy: -25.467
bonds (distance) P-C4' energy: -54.152
flat angles C4'-P-C4' energy: -46.904
flat angles P-C4'-P energy: -31.316
tors. eta vs tors. theta energy: -40.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -497.105830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.105830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.105830 (E_RNA)
where:
Base-Base interactions energy: -305.192
where: short stacking energy: -144.228
Base-Backbone interact. energy: -0.906
local terms energy: -191.008313
where:
bonds (distance) C4'-P energy: -39.744
bonds (distance) P-C4' energy: -48.893
flat angles C4'-P-C4' energy: -47.106
flat angles P-C4'-P energy: -32.396
tors. eta vs tors. theta energy: -22.870
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: 6
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -973.573494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.573494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.573494 (E_RNA)
where:
Base-Base interactions energy: -677.025
where: short stacking energy: -272.281
Base-Backbone interact. energy: 0.766
local terms energy: -297.314797
where:
bonds (distance) C4'-P energy: -58.007
bonds (distance) P-C4' energy: -54.295
flat angles C4'-P-C4' energy: -56.574
flat angles P-C4'-P energy: -46.789
tors. eta vs tors. theta energy: -81.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -917.668707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.668707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.668707 (E_RNA)
where:
Base-Base interactions energy: -648.389
where: short stacking energy: -260.078
Base-Backbone interact. energy: -0.387
local terms energy: -268.892782
where:
bonds (distance) C4'-P energy: -48.130
bonds (distance) P-C4' energy: -50.954
flat angles C4'-P-C4' energy: -55.804
flat angles P-C4'-P energy: -40.541
tors. eta vs tors. theta energy: -73.464
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: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -945.785475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.785475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.785475 (E_RNA)
where:
Base-Base interactions energy: -663.316
where: short stacking energy: -250.119
Base-Backbone interact. energy: -3.226
local terms energy: -279.243467
where:
bonds (distance) C4'-P energy: -50.205
bonds (distance) P-C4' energy: -53.048
flat angles C4'-P-C4' energy: -60.977
flat angles P-C4'-P energy: -34.628
tors. eta vs tors. theta energy: -80.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -851.114996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.114996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.114996 (E_RNA)
where:
Base-Base interactions energy: -602.651
where: short stacking energy: -236.903
Base-Backbone interact. energy: 1.901
local terms energy: -250.364979
where:
bonds (distance) C4'-P energy: -51.426
bonds (distance) P-C4' energy: -54.254
flat angles C4'-P-C4' energy: -52.601
flat angles P-C4'-P energy: -31.414
tors. eta vs tors. theta energy: -60.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -801.420650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.420650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.420650 (E_RNA)
where:
Base-Base interactions energy: -558.380
where: short stacking energy: -236.103
Base-Backbone interact. energy: -2.032
local terms energy: -241.008249
where:
bonds (distance) C4'-P energy: -38.755
bonds (distance) P-C4' energy: -45.570
flat angles C4'-P-C4' energy: -53.301
flat angles P-C4'-P energy: -37.705
tors. eta vs tors. theta energy: -65.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -805.126222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.126222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.126222 (E_RNA)
where:
Base-Base interactions energy: -555.274
where: short stacking energy: -221.093
Base-Backbone interact. energy: 1.701
local terms energy: -251.553478
where:
bonds (distance) C4'-P energy: -52.279
bonds (distance) P-C4' energy: -51.725
flat angles C4'-P-C4' energy: -46.870
flat angles P-C4'-P energy: -33.266
tors. eta vs tors. theta energy: -67.414
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: 7, replica: 5
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -736.293084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.293084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.293084 (E_RNA)
where:
Base-Base interactions energy: -505.884
where: short stacking energy: -215.092
Base-Backbone interact. energy: 0.131
local terms energy: -230.540137
where:
bonds (distance) C4'-P energy: -43.727
bonds (distance) P-C4' energy: -51.546
flat angles C4'-P-C4' energy: -48.761
flat angles P-C4'-P energy: -32.980
tors. eta vs tors. theta energy: -53.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -689.441988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.441988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.441988 (E_RNA)
where:
Base-Base interactions energy: -468.152
where: short stacking energy: -184.564
Base-Backbone interact. energy: -0.268
local terms energy: -221.022167
where:
bonds (distance) C4'-P energy: -39.957
bonds (distance) P-C4' energy: -45.619
flat angles C4'-P-C4' energy: -53.009
flat angles P-C4'-P energy: -37.419
tors. eta vs tors. theta energy: -45.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -650.337178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.337178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.337178 (E_RNA)
where:
Base-Base interactions energy: -461.033
where: short stacking energy: -193.547
Base-Backbone interact. energy: -0.648
local terms energy: -188.655926
where:
bonds (distance) C4'-P energy: -33.925
bonds (distance) P-C4' energy: -37.844
flat angles C4'-P-C4' energy: -47.131
flat angles P-C4'-P energy: -28.326
tors. eta vs tors. theta energy: -41.430
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: 49
Temperature: 1.350000
Total energy: -500.045921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.045921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.045921 (E_RNA)
where:
Base-Base interactions energy: -325.549
where: short stacking energy: -137.752
Base-Backbone interact. energy: 0.903
local terms energy: -175.399531
where:
bonds (distance) C4'-P energy: -46.082
bonds (distance) P-C4' energy: -41.089
flat angles C4'-P-C4' energy: -40.251
flat angles P-C4'-P energy: -30.735
tors. eta vs tors. theta energy: -17.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -984.149749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.149749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.149749 (E_RNA)
where:
Base-Base interactions energy: -690.565
where: short stacking energy: -275.591
Base-Backbone interact. energy: -3.065
local terms energy: -290.519897
where:
bonds (distance) C4'-P energy: -52.166
bonds (distance) P-C4' energy: -58.082
flat angles C4'-P-C4' energy: -51.640
flat angles P-C4'-P energy: -48.134
tors. eta vs tors. theta energy: -80.497
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: 10
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -937.641458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.641458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.641458 (E_RNA)
where:
Base-Base interactions energy: -659.873
where: short stacking energy: -276.484
Base-Backbone interact. energy: 0.675
local terms energy: -278.444122
where:
bonds (distance) C4'-P energy: -46.784
bonds (distance) P-C4' energy: -58.076
flat angles C4'-P-C4' energy: -61.705
flat angles P-C4'-P energy: -38.021
tors. eta vs tors. theta energy: -73.858
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: 3, replica: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -915.366757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.366757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.366757 (E_RNA)
where:
Base-Base interactions energy: -638.332
where: short stacking energy: -259.521
Base-Backbone interact. energy: -0.886
local terms energy: -276.148517
where:
bonds (distance) C4'-P energy: -52.311
bonds (distance) P-C4' energy: -56.046
flat angles C4'-P-C4' energy: -57.272
flat angles P-C4'-P energy: -33.649
tors. eta vs tors. theta energy: -76.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -867.887588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.887588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.887588 (E_RNA)
where:
Base-Base interactions energy: -613.686
where: short stacking energy: -240.785
Base-Backbone interact. energy: -2.321
local terms energy: -251.880012
where:
bonds (distance) C4'-P energy: -51.933
bonds (distance) P-C4' energy: -40.853
flat angles C4'-P-C4' energy: -53.086
flat angles P-C4'-P energy: -40.594
tors. eta vs tors. theta energy: -65.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -832.481812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.481812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.481812 (E_RNA)
where:
Base-Base interactions energy: -575.066
where: short stacking energy: -239.905
Base-Backbone interact. energy: -1.297
local terms energy: -256.119447
where:
bonds (distance) C4'-P energy: -41.177
bonds (distance) P-C4' energy: -52.540
flat angles C4'-P-C4' energy: -53.485
flat angles P-C4'-P energy: -44.439
tors. eta vs tors. theta energy: -64.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -791.718678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.718678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.718678 (E_RNA)
where:
Base-Base interactions energy: -539.889
where: short stacking energy: -231.496
Base-Backbone interact. energy: -2.608
local terms energy: -249.221280
where:
bonds (distance) C4'-P energy: -46.719
bonds (distance) P-C4' energy: -46.836
flat angles C4'-P-C4' energy: -53.242
flat angles P-C4'-P energy: -35.696
tors. eta vs tors. theta energy: -66.728
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: 5
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -734.924289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.924289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.924289 (E_RNA)
where:
Base-Base interactions energy: -501.797
where: short stacking energy: -196.503
Base-Backbone interact. energy: -0.662
local terms energy: -232.465352
where:
bonds (distance) C4'-P energy: -36.640
bonds (distance) P-C4' energy: -57.993
flat angles C4'-P-C4' energy: -51.005
flat angles P-C4'-P energy: -42.509
tors. eta vs tors. theta energy: -44.319
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: 3
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -742.238235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.238235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.238235 (E_RNA)
where:
Base-Base interactions energy: -519.919
where: short stacking energy: -202.662
Base-Backbone interact. energy: -2.186
local terms energy: -220.133525
where:
bonds (distance) C4'-P energy: -47.063
bonds (distance) P-C4' energy: -41.187
flat angles C4'-P-C4' energy: -44.402
flat angles P-C4'-P energy: -35.776
tors. eta vs tors. theta energy: -51.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -639.870431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.870431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.870431 (E_RNA)
where:
Base-Base interactions energy: -438.404
where: short stacking energy: -176.439
Base-Backbone interact. energy: -1.154
local terms energy: -200.312003
where:
bonds (distance) C4'-P energy: -39.988
bonds (distance) P-C4' energy: -48.026
flat angles C4'-P-C4' energy: -44.372
flat angles P-C4'-P energy: -28.791
tors. eta vs tors. theta energy: -39.135
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: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -475.750554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.750554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.750554 (E_RNA)
where:
Base-Base interactions energy: -294.241
where: short stacking energy: -124.047
Base-Backbone interact. energy: -2.001
local terms energy: -179.509047
where:
bonds (distance) C4'-P energy: -39.583
bonds (distance) P-C4' energy: -55.484
flat angles C4'-P-C4' energy: -39.095
flat angles P-C4'-P energy: -21.146
tors. eta vs tors. theta energy: -24.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -986.564827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.564827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.564827 (E_RNA)
where:
Base-Base interactions energy: -686.429
where: short stacking energy: -270.826
Base-Backbone interact. energy: -2.304
local terms energy: -297.831771
where:
bonds (distance) C4'-P energy: -55.792
bonds (distance) P-C4' energy: -55.345
flat angles C4'-P-C4' energy: -60.298
flat angles P-C4'-P energy: -44.916
tors. eta vs tors. theta energy: -81.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -934.223305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.223305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.223305 (E_RNA)
where:
Base-Base interactions energy: -644.467
where: short stacking energy: -245.453
Base-Backbone interact. energy: -2.403
local terms energy: -287.353149
where:
bonds (distance) C4'-P energy: -61.621
bonds (distance) P-C4' energy: -59.905
flat angles C4'-P-C4' energy: -62.806
flat angles P-C4'-P energy: -32.387
tors. eta vs tors. theta energy: -70.634
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: 10
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -906.512174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.512174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.512174 (E_RNA)
where:
Base-Base interactions energy: -653.616
where: short stacking energy: -264.473
Base-Backbone interact. energy: 0.257
local terms energy: -253.152447
where:
bonds (distance) C4'-P energy: -52.003
bonds (distance) P-C4' energy: -50.893
flat angles C4'-P-C4' energy: -49.239
flat angles P-C4'-P energy: -28.314
tors. eta vs tors. theta energy: -72.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -848.343088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.343088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.343088 (E_RNA)
where:
Base-Base interactions energy: -602.710
where: short stacking energy: -248.234
Base-Backbone interact. energy: -2.064
local terms energy: -243.569007
where:
bonds (distance) C4'-P energy: -49.834
bonds (distance) P-C4' energy: -53.657
flat angles C4'-P-C4' energy: -49.108
flat angles P-C4'-P energy: -32.037
tors. eta vs tors. theta energy: -58.934
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: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -836.850485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.850485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.850485 (E_RNA)
where:
Base-Base interactions energy: -588.264
where: short stacking energy: -218.886
Base-Backbone interact. energy: -3.952
local terms energy: -244.635103
where:
bonds (distance) C4'-P energy: -43.217
bonds (distance) P-C4' energy: -38.405
flat angles C4'-P-C4' energy: -51.396
flat angles P-C4'-P energy: -40.144
tors. eta vs tors. theta energy: -71.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -789.688205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.688205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.688205 (E_RNA)
where:
Base-Base interactions energy: -544.490
where: short stacking energy: -214.184
Base-Backbone interact. energy: -5.269
local terms energy: -239.929063
where:
bonds (distance) C4'-P energy: -46.292
bonds (distance) P-C4' energy: -37.350
flat angles C4'-P-C4' energy: -56.430
flat angles P-C4'-P energy: -40.947
tors. eta vs tors. theta energy: -58.910
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: 5
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -792.640947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.640947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.640947 (E_RNA)
where:
Base-Base interactions energy: -552.099
where: short stacking energy: -223.420
Base-Backbone interact. energy: -0.346
local terms energy: -240.196561
where:
bonds (distance) C4'-P energy: -51.885
bonds (distance) P-C4' energy: -42.265
flat angles C4'-P-C4' energy: -51.577
flat angles P-C4'-P energy: -37.288
tors. eta vs tors. theta energy: -57.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -714.033123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.033123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.033123 (E_RNA)
where:
Base-Base interactions energy: -503.535
where: short stacking energy: -195.825
Base-Backbone interact. energy: -1.927
local terms energy: -208.570505
where:
bonds (distance) C4'-P energy: -35.030
bonds (distance) P-C4' energy: -40.372
flat angles C4'-P-C4' energy: -53.486
flat angles P-C4'-P energy: -33.507
tors. eta vs tors. theta energy: -46.175
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: 8
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -607.523638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.523638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.523638 (E_RNA)
where:
Base-Base interactions energy: -424.661
where: short stacking energy: -181.669
Base-Backbone interact. energy: 1.116
local terms energy: -183.978884
where:
bonds (distance) C4'-P energy: -30.961
bonds (distance) P-C4' energy: -38.010
flat angles C4'-P-C4' energy: -49.892
flat angles P-C4'-P energy: -22.249
tors. eta vs tors. theta energy: -42.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -479.804707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.804707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.804707 (E_RNA)
where:
Base-Base interactions energy: -296.698
where: short stacking energy: -131.540
Base-Backbone interact. energy: 0.945
local terms energy: -184.051749
where:
bonds (distance) C4'-P energy: -44.566
bonds (distance) P-C4' energy: -40.732
flat angles C4'-P-C4' energy: -50.601
flat angles P-C4'-P energy: -22.604
tors. eta vs tors. theta energy: -25.548
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: 6
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -986.067375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.067375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.067375 (E_RNA)
where:
Base-Base interactions energy: -692.002
where: short stacking energy: -281.070
Base-Backbone interact. energy: -3.727
local terms energy: -290.338215
where:
bonds (distance) C4'-P energy: -60.691
bonds (distance) P-C4' energy: -45.765
flat angles C4'-P-C4' energy: -66.403
flat angles P-C4'-P energy: -36.278
tors. eta vs tors. theta energy: -81.201
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: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -914.707761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.707761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.707761 (E_RNA)
where:
Base-Base interactions energy: -647.252
where: short stacking energy: -253.402
Base-Backbone interact. energy: -1.357
local terms energy: -266.098823
where:
bonds (distance) C4'-P energy: -52.081
bonds (distance) P-C4' energy: -54.029
flat angles C4'-P-C4' energy: -55.373
flat angles P-C4'-P energy: -34.394
tors. eta vs tors. theta energy: -70.222
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: 10
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -906.946897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.946897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.946897 (E_RNA)
where:
Base-Base interactions energy: -631.465
where: short stacking energy: -268.238
Base-Backbone interact. energy: 0.121
local terms energy: -275.602446
where:
bonds (distance) C4'-P energy: -52.650
bonds (distance) P-C4' energy: -52.283
flat angles C4'-P-C4' energy: -60.041
flat angles P-C4'-P energy: -36.190
tors. eta vs tors. theta energy: -74.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -846.560634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.560634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.560634 (E_RNA)
where:
Base-Base interactions energy: -583.555
where: short stacking energy: -237.094
Base-Backbone interact. energy: 1.177
local terms energy: -264.182754
where:
bonds (distance) C4'-P energy: -47.615
bonds (distance) P-C4' energy: -59.622
flat angles C4'-P-C4' energy: -54.471
flat angles P-C4'-P energy: -29.658
tors. eta vs tors. theta energy: -72.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -835.271421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.271421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.271421 (E_RNA)
where:
Base-Base interactions energy: -577.516
where: short stacking energy: -227.082
Base-Backbone interact. energy: -0.728
local terms energy: -257.027353
where:
bonds (distance) C4'-P energy: -55.334
bonds (distance) P-C4' energy: -45.851
flat angles C4'-P-C4' energy: -52.560
flat angles P-C4'-P energy: -37.705
tors. eta vs tors. theta energy: -65.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -781.622366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.622366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.622366 (E_RNA)
where:
Base-Base interactions energy: -546.468
where: short stacking energy: -227.978
Base-Backbone interact. energy: -0.427
local terms energy: -234.727068
where:
bonds (distance) C4'-P energy: -43.644
bonds (distance) P-C4' energy: -54.790
flat angles C4'-P-C4' energy: -55.426
flat angles P-C4'-P energy: -24.391
tors. eta vs tors. theta energy: -56.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -744.174747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.174747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.174747 (E_RNA)
where:
Base-Base interactions energy: -537.146
where: short stacking energy: -226.734
Base-Backbone interact. energy: 1.006
local terms energy: -208.034066
where:
bonds (distance) C4'-P energy: -37.224
bonds (distance) P-C4' energy: -47.798
flat angles C4'-P-C4' energy: -48.484
flat angles P-C4'-P energy: -20.399
tors. eta vs tors. theta energy: -54.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -694.958117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.958117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.958117 (E_RNA)
where:
Base-Base interactions energy: -465.191
where: short stacking energy: -172.186
Base-Backbone interact. energy: -1.394
local terms energy: -228.372318
where:
bonds (distance) C4'-P energy: -41.267
bonds (distance) P-C4' energy: -60.946
flat angles C4'-P-C4' energy: -55.960
flat angles P-C4'-P energy: -30.303
tors. eta vs tors. theta energy: -39.896
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: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -621.327194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.327194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.327194 (E_RNA)
where:
Base-Base interactions energy: -405.499
where: short stacking energy: -167.358
Base-Backbone interact. energy: 5.075
local terms energy: -220.903292
where:
bonds (distance) C4'-P energy: -48.381
bonds (distance) P-C4' energy: -51.482
flat angles C4'-P-C4' energy: -43.132
flat angles P-C4'-P energy: -34.523
tors. eta vs tors. theta energy: -43.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -545.907445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.907445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.907445 (E_RNA)
where:
Base-Base interactions energy: -353.785
where: short stacking energy: -141.328
Base-Backbone interact. energy: -0.914
local terms energy: -191.208157
where:
bonds (distance) C4'-P energy: -40.876
bonds (distance) P-C4' energy: -40.261
flat angles C4'-P-C4' energy: -44.145
flat angles P-C4'-P energy: -29.551
tors. eta vs tors. theta energy: -36.376
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: 6
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -966.640016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.640016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.640016 (E_RNA)
where:
Base-Base interactions energy: -673.999
where: short stacking energy: -282.958
Base-Backbone interact. energy: -1.134
local terms energy: -291.507224
where:
bonds (distance) C4'-P energy: -60.568
bonds (distance) P-C4' energy: -51.573
flat angles C4'-P-C4' energy: -61.060
flat angles P-C4'-P energy: -36.989
tors. eta vs tors. theta energy: -81.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -920.444888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.444888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.444888 (E_RNA)
where:
Base-Base interactions energy: -635.937
where: short stacking energy: -251.398
Base-Backbone interact. energy: -1.146
local terms energy: -283.362489
where:
bonds (distance) C4'-P energy: -52.049
bonds (distance) P-C4' energy: -58.922
flat angles C4'-P-C4' energy: -62.568
flat angles P-C4'-P energy: -38.843
tors. eta vs tors. theta energy: -70.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -905.640560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.640560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.640560 (E_RNA)
where:
Base-Base interactions energy: -637.400
where: short stacking energy: -257.542
Base-Backbone interact. energy: -2.369
local terms energy: -265.871745
where:
bonds (distance) C4'-P energy: -47.169
bonds (distance) P-C4' energy: -50.530
flat angles C4'-P-C4' energy: -55.419
flat angles P-C4'-P energy: -35.519
tors. eta vs tors. theta energy: -77.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -856.005764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.005764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.005764 (E_RNA)
where:
Base-Base interactions energy: -591.325
where: short stacking energy: -247.378
Base-Backbone interact. energy: -0.139
local terms energy: -264.541431
where:
bonds (distance) C4'-P energy: -52.179
bonds (distance) P-C4' energy: -54.280
flat angles C4'-P-C4' energy: -55.576
flat angles P-C4'-P energy: -32.401
tors. eta vs tors. theta energy: -70.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -844.438890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.438890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.438890 (E_RNA)
where:
Base-Base interactions energy: -582.488
where: short stacking energy: -243.742
Base-Backbone interact. energy: -0.780
local terms energy: -261.170793
where:
bonds (distance) C4'-P energy: -49.841
bonds (distance) P-C4' energy: -53.267
flat angles C4'-P-C4' energy: -51.111
flat angles P-C4'-P energy: -37.307
tors. eta vs tors. theta energy: -69.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -781.242682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.242682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.242682 (E_RNA)
where:
Base-Base interactions energy: -549.022
where: short stacking energy: -216.551
Base-Backbone interact. energy: -1.426
local terms energy: -230.795000
where:
bonds (distance) C4'-P energy: -38.199
bonds (distance) P-C4' energy: -41.455
flat angles C4'-P-C4' energy: -59.627
flat angles P-C4'-P energy: -32.642
tors. eta vs tors. theta energy: -58.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -745.948442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.948442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.948442 (E_RNA)
where:
Base-Base interactions energy: -524.427
where: short stacking energy: -197.654
Base-Backbone interact. energy: -1.813
local terms energy: -219.709226
where:
bonds (distance) C4'-P energy: -41.795
bonds (distance) P-C4' energy: -45.902
flat angles C4'-P-C4' energy: -50.705
flat angles P-C4'-P energy: -32.205
tors. eta vs tors. theta energy: -49.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -741.965663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.965663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.965663 (E_RNA)
where:
Base-Base interactions energy: -519.289
where: short stacking energy: -188.358
Base-Backbone interact. energy: -1.030
local terms energy: -221.646098
where:
bonds (distance) C4'-P energy: -49.447
bonds (distance) P-C4' energy: -53.842
flat angles C4'-P-C4' energy: -39.036
flat angles P-C4'-P energy: -37.027
tors. eta vs tors. theta energy: -42.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -668.284261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.284261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.284261 (E_RNA)
where:
Base-Base interactions energy: -448.222
where: short stacking energy: -194.196
Base-Backbone interact. energy: -1.518
local terms energy: -218.544749
where:
bonds (distance) C4'-P energy: -41.822
bonds (distance) P-C4' energy: -42.991
flat angles C4'-P-C4' energy: -52.145
flat angles P-C4'-P energy: -33.489
tors. eta vs tors. theta energy: -48.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -547.378751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.378751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.378751 (E_RNA)
where:
Base-Base interactions energy: -364.786
where: short stacking energy: -168.890
Base-Backbone interact. energy: 1.462
local terms energy: -184.055363
where:
bonds (distance) C4'-P energy: -33.574
bonds (distance) P-C4' energy: -44.746
flat angles C4'-P-C4' energy: -48.187
flat angles P-C4'-P energy: -25.411
tors. eta vs tors. theta energy: -32.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -975.579344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.579344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.579344 (E_RNA)
where:
Base-Base interactions energy: -682.378
where: short stacking energy: -279.738
Base-Backbone interact. energy: -2.874
local terms energy: -290.327510
where:
bonds (distance) C4'-P energy: -45.329
bonds (distance) P-C4' energy: -53.754
flat angles C4'-P-C4' energy: -56.795
flat angles P-C4'-P energy: -46.833
tors. eta vs tors. theta energy: -87.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -955.111103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.111103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.111103 (E_RNA)
where:
Base-Base interactions energy: -652.901
where: short stacking energy: -258.742
Base-Backbone interact. energy: -0.108
local terms energy: -302.102099
where:
bonds (distance) C4'-P energy: -49.431
bonds (distance) P-C4' energy: -62.355
flat angles C4'-P-C4' energy: -60.064
flat angles P-C4'-P energy: -50.955
tors. eta vs tors. theta energy: -79.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -912.427307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.427307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.427307 (E_RNA)
where:
Base-Base interactions energy: -646.284
where: short stacking energy: -264.389
Base-Backbone interact. energy: -0.077
local terms energy: -266.066032
where:
bonds (distance) C4'-P energy: -41.587
bonds (distance) P-C4' energy: -44.794
flat angles C4'-P-C4' energy: -59.095
flat angles P-C4'-P energy: -45.583
tors. eta vs tors. theta energy: -75.007
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: 1
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -818.940114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.940114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.940114 (E_RNA)
where:
Base-Base interactions energy: -552.979
where: short stacking energy: -219.802
Base-Backbone interact. energy: -0.865
local terms energy: -265.096114
where:
bonds (distance) C4'-P energy: -53.834
bonds (distance) P-C4' energy: -54.607
flat angles C4'-P-C4' energy: -53.100
flat angles P-C4'-P energy: -45.833
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: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -834.046062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.046062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.046062 (E_RNA)
where:
Base-Base interactions energy: -579.494
where: short stacking energy: -243.409
Base-Backbone interact. energy: -0.943
local terms energy: -253.608845
where:
bonds (distance) C4'-P energy: -54.795
bonds (distance) P-C4' energy: -48.050
flat angles C4'-P-C4' energy: -49.885
flat angles P-C4'-P energy: -34.137
tors. eta vs tors. theta energy: -66.742
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: 6, replica: 7
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -774.588407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.588407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.588407 (E_RNA)
where:
Base-Base interactions energy: -550.772
where: short stacking energy: -221.229
Base-Backbone interact. energy: -2.673
local terms energy: -221.143325
where:
bonds (distance) C4'-P energy: -43.049
bonds (distance) P-C4' energy: -41.884
flat angles C4'-P-C4' energy: -56.583
flat angles P-C4'-P energy: -28.903
tors. eta vs tors. theta energy: -50.725
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: 7, replica: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -733.895804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.895804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.895804 (E_RNA)
where:
Base-Base interactions energy: -510.969
where: short stacking energy: -196.664
Base-Backbone interact. energy: -1.187
local terms energy: -221.740475
where:
bonds (distance) C4'-P energy: -45.972
bonds (distance) P-C4' energy: -38.883
flat angles C4'-P-C4' energy: -58.620
flat angles P-C4'-P energy: -31.249
tors. eta vs tors. theta energy: -47.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -716.661695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.661695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.661695 (E_RNA)
where:
Base-Base interactions energy: -506.436
where: short stacking energy: -201.448
Base-Backbone interact. energy: -0.312
local terms energy: -209.913252
where:
bonds (distance) C4'-P energy: -48.418
bonds (distance) P-C4' energy: -38.445
flat angles C4'-P-C4' energy: -48.419
flat angles P-C4'-P energy: -30.218
tors. eta vs tors. theta energy: -44.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -665.113496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.113496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.113496 (E_RNA)
where:
Base-Base interactions energy: -458.352
where: short stacking energy: -190.472
Base-Backbone interact. energy: -0.954
local terms energy: -205.807759
where:
bonds (distance) C4'-P energy: -39.366
bonds (distance) P-C4' energy: -46.245
flat angles C4'-P-C4' energy: -55.465
flat angles P-C4'-P energy: -19.415
tors. eta vs tors. theta energy: -45.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -552.767422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.767422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.767422 (E_RNA)
where:
Base-Base interactions energy: -350.260
where: short stacking energy: -150.872
Base-Backbone interact. energy: -0.786
local terms energy: -201.721922
where:
bonds (distance) C4'-P energy: -45.358
bonds (distance) P-C4' energy: -48.770
flat angles C4'-P-C4' energy: -44.936
flat angles P-C4'-P energy: -37.847
tors. eta vs tors. theta energy: -24.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -984.612691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.612691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.612691 (E_RNA)
where:
Base-Base interactions energy: -687.692
where: short stacking energy: -282.997
Base-Backbone interact. energy: -2.381
local terms energy: -294.539739
where:
bonds (distance) C4'-P energy: -59.080
bonds (distance) P-C4' energy: -50.338
flat angles C4'-P-C4' energy: -58.708
flat angles P-C4'-P energy: -38.994
tors. eta vs tors. theta energy: -87.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -937.525793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.525793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.525793 (E_RNA)
where:
Base-Base interactions energy: -663.291
where: short stacking energy: -268.907
Base-Backbone interact. energy: -3.173
local terms energy: -271.061901
where:
bonds (distance) C4'-P energy: -50.210
bonds (distance) P-C4' energy: -46.445
flat angles C4'-P-C4' energy: -52.268
flat angles P-C4'-P energy: -42.902
tors. eta vs tors. theta energy: -79.237
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: 10
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -896.296492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.296492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.296492 (E_RNA)
where:
Base-Base interactions energy: -637.138
where: short stacking energy: -271.373
Base-Backbone interact. energy: -1.727
local terms energy: -257.431348
where:
bonds (distance) C4'-P energy: -50.058
bonds (distance) P-C4' energy: -42.320
flat angles C4'-P-C4' energy: -56.743
flat angles P-C4'-P energy: -30.236
tors. eta vs tors. theta energy: -78.073
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: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -874.255886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.255886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.255886 (E_RNA)
where:
Base-Base interactions energy: -605.221
where: short stacking energy: -251.547
Base-Backbone interact. energy: -0.526
local terms energy: -268.509338
where:
bonds (distance) C4'-P energy: -55.350
bonds (distance) P-C4' energy: -38.132
flat angles C4'-P-C4' energy: -56.008
flat angles P-C4'-P energy: -37.245
tors. eta vs tors. theta energy: -81.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -814.090097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.090097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.090097 (E_RNA)
where:
Base-Base interactions energy: -573.573
where: short stacking energy: -236.383
Base-Backbone interact. energy: -0.694
local terms energy: -239.822794
where:
bonds (distance) C4'-P energy: -43.113
bonds (distance) P-C4' energy: -45.750
flat angles C4'-P-C4' energy: -52.843
flat angles P-C4'-P energy: -29.940
tors. eta vs tors. theta energy: -68.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -757.006180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.006180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.006180 (E_RNA)
where:
Base-Base interactions energy: -537.779
where: short stacking energy: -202.667
Base-Backbone interact. energy: -1.016
local terms energy: -218.211555
where:
bonds (distance) C4'-P energy: -32.907
bonds (distance) P-C4' energy: -61.402
flat angles C4'-P-C4' energy: -44.689
flat angles P-C4'-P energy: -26.842
tors. eta vs tors. theta energy: -52.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -768.430004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.430004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.430004 (E_RNA)
where:
Base-Base interactions energy: -559.305
where: short stacking energy: -217.942
Base-Backbone interact. energy: 7.034
local terms energy: -216.159396
where:
bonds (distance) C4'-P energy: -33.647
bonds (distance) P-C4' energy: -37.600
flat angles C4'-P-C4' energy: -51.760
flat angles P-C4'-P energy: -34.804
tors. eta vs tors. theta energy: -58.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -714.854774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.854774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.854774 (E_RNA)
where:
Base-Base interactions energy: -495.895
where: short stacking energy: -195.260
Base-Backbone interact. energy: -1.122
local terms energy: -217.838171
where:
bonds (distance) C4'-P energy: -50.602
bonds (distance) P-C4' energy: -39.530
flat angles C4'-P-C4' energy: -44.186
flat angles P-C4'-P energy: -35.814
tors. eta vs tors. theta energy: -47.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -647.602392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.602392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.602392 (E_RNA)
where:
Base-Base interactions energy: -442.502
where: short stacking energy: -191.586
Base-Backbone interact. energy: -1.400
local terms energy: -203.700336
where:
bonds (distance) C4'-P energy: -46.212
bonds (distance) P-C4' energy: -46.236
flat angles C4'-P-C4' energy: -51.346
flat angles P-C4'-P energy: -23.150
tors. eta vs tors. theta energy: -36.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -589.334882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.334882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.334882 (E_RNA)
where:
Base-Base interactions energy: -405.238
where: short stacking energy: -175.555
Base-Backbone interact. energy: -0.953
local terms energy: -183.144216
where:
bonds (distance) C4'-P energy: -30.189
bonds (distance) P-C4' energy: -53.059
flat angles C4'-P-C4' energy: -40.594
flat angles P-C4'-P energy: -24.663
tors. eta vs tors. theta energy: -34.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -961.478949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.478949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.478949 (E_RNA)
where:
Base-Base interactions energy: -668.277
where: short stacking energy: -276.314
Base-Backbone interact. energy: -1.772
local terms energy: -291.429470
where:
bonds (distance) C4'-P energy: -52.411
bonds (distance) P-C4' energy: -47.597
flat angles C4'-P-C4' energy: -60.611
flat angles P-C4'-P energy: -41.785
tors. eta vs tors. theta energy: -89.026
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: 2, replica: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -964.332925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.332925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.332925 (E_RNA)
where:
Base-Base interactions energy: -671.448
where: short stacking energy: -271.755
Base-Backbone interact. energy: -3.835
local terms energy: -289.050015
where:
bonds (distance) C4'-P energy: -54.738
bonds (distance) P-C4' energy: -50.346
flat angles C4'-P-C4' energy: -62.368
flat angles P-C4'-P energy: -40.722
tors. eta vs tors. theta energy: -80.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -904.767946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.767946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.767946 (E_RNA)
where:
Base-Base interactions energy: -629.849
where: short stacking energy: -271.326
Base-Backbone interact. energy: -0.956
local terms energy: -273.962846
where:
bonds (distance) C4'-P energy: -46.375
bonds (distance) P-C4' energy: -55.128
flat angles C4'-P-C4' energy: -60.283
flat angles P-C4'-P energy: -40.723
tors. eta vs tors. theta energy: -71.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -900.174317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.174317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.174317 (E_RNA)
where:
Base-Base interactions energy: -630.648
where: short stacking energy: -263.090
Base-Backbone interact. energy: 0.071
local terms energy: -269.597837
where:
bonds (distance) C4'-P energy: -49.122
bonds (distance) P-C4' energy: -48.242
flat angles C4'-P-C4' energy: -56.925
flat angles P-C4'-P energy: -43.085
tors. eta vs tors. theta energy: -72.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -803.873870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.873870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.873870 (E_RNA)
where:
Base-Base interactions energy: -562.966
where: short stacking energy: -230.854
Base-Backbone interact. energy: -1.505
local terms energy: -239.402480
where:
bonds (distance) C4'-P energy: -48.382
bonds (distance) P-C4' energy: -51.086
flat angles C4'-P-C4' energy: -54.257
flat angles P-C4'-P energy: -31.086
tors. eta vs tors. theta energy: -54.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -786.346866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.346866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.346866 (E_RNA)
where:
Base-Base interactions energy: -522.729
where: short stacking energy: -224.759
Base-Backbone interact. energy: -2.230
local terms energy: -261.388386
where:
bonds (distance) C4'-P energy: -51.902
bonds (distance) P-C4' energy: -58.109
flat angles C4'-P-C4' energy: -51.670
flat angles P-C4'-P energy: -32.904
tors. eta vs tors. theta energy: -66.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -757.803831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.803831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.803831 (E_RNA)
where:
Base-Base interactions energy: -524.317
where: short stacking energy: -213.348
Base-Backbone interact. energy: -1.515
local terms energy: -231.971667
where:
bonds (distance) C4'-P energy: -48.320
bonds (distance) P-C4' energy: -43.386
flat angles C4'-P-C4' energy: -56.046
flat angles P-C4'-P energy: -32.180
tors. eta vs tors. theta energy: -52.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -677.642023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.642023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.642023 (E_RNA)
where:
Base-Base interactions energy: -474.519
where: short stacking energy: -172.815
Base-Backbone interact. energy: -3.266
local terms energy: -199.857132
where:
bonds (distance) C4'-P energy: -57.959
bonds (distance) P-C4' energy: -39.411
flat angles C4'-P-C4' energy: -44.156
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -41.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -656.252876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.252876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.252876 (E_RNA)
where:
Base-Base interactions energy: -435.994
where: short stacking energy: -182.654
Base-Backbone interact. energy: -0.480
local terms energy: -219.779040
where:
bonds (distance) C4'-P energy: -43.451
bonds (distance) P-C4' energy: -45.999
flat angles C4'-P-C4' energy: -48.133
flat angles P-C4'-P energy: -32.290
tors. eta vs tors. theta energy: -49.906
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: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -599.313118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.313118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.313118 (E_RNA)
where:
Base-Base interactions energy: -400.979
where: short stacking energy: -167.970
Base-Backbone interact. energy: -0.685
local terms energy: -197.648818
where:
bonds (distance) C4'-P energy: -46.222
bonds (distance) P-C4' energy: -45.261
flat angles C4'-P-C4' energy: -45.017
flat angles P-C4'-P energy: -22.524
tors. eta vs tors. theta energy: -38.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -967.873641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.873641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.873641 (E_RNA)
where:
Base-Base interactions energy: -669.852
where: short stacking energy: -262.304
Base-Backbone interact. energy: -1.114
local terms energy: -296.908073
where:
bonds (distance) C4'-P energy: -56.363
bonds (distance) P-C4' energy: -51.121
flat angles C4'-P-C4' energy: -58.986
flat angles P-C4'-P energy: -42.238
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: 2, replica: 2
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -933.187011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.187011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.187011 (E_RNA)
where:
Base-Base interactions energy: -652.191
where: short stacking energy: -258.796
Base-Backbone interact. energy: -1.043
local terms energy: -279.952996
where:
bonds (distance) C4'-P energy: -54.237
bonds (distance) P-C4' energy: -46.447
flat angles C4'-P-C4' energy: -64.708
flat angles P-C4'-P energy: -38.888
tors. eta vs tors. theta energy: -75.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -937.209377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.209377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.209377 (E_RNA)
where:
Base-Base interactions energy: -662.034
where: short stacking energy: -258.286
Base-Backbone interact. energy: -1.226
local terms energy: -273.949893
where:
bonds (distance) C4'-P energy: -42.304
bonds (distance) P-C4' energy: -47.857
flat angles C4'-P-C4' energy: -55.986
flat angles P-C4'-P energy: -47.417
tors. eta vs tors. theta energy: -80.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -880.140610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.140610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.140610 (E_RNA)
where:
Base-Base interactions energy: -624.254
where: short stacking energy: -252.601
Base-Backbone interact. energy: -0.517
local terms energy: -255.370511
where:
bonds (distance) C4'-P energy: -47.310
bonds (distance) P-C4' energy: -46.161
flat angles C4'-P-C4' energy: -50.730
flat angles P-C4'-P energy: -42.434
tors. eta vs tors. theta energy: -68.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -821.543767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.543767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.543767 (E_RNA)
where:
Base-Base interactions energy: -570.090
where: short stacking energy: -236.694
Base-Backbone interact. energy: -1.130
local terms energy: -250.324008
where:
bonds (distance) C4'-P energy: -44.635
bonds (distance) P-C4' energy: -50.896
flat angles C4'-P-C4' energy: -57.392
flat angles P-C4'-P energy: -28.936
tors. eta vs tors. theta energy: -68.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -804.425895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.425895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.425895 (E_RNA)
where:
Base-Base interactions energy: -567.667
where: short stacking energy: -227.565
Base-Backbone interact. energy: -1.569
local terms energy: -235.190206
where:
bonds (distance) C4'-P energy: -46.923
bonds (distance) P-C4' energy: -49.995
flat angles C4'-P-C4' energy: -51.505
flat angles P-C4'-P energy: -29.917
tors. eta vs tors. theta energy: -56.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -738.794009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.794009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.794009 (E_RNA)
where:
Base-Base interactions energy: -524.340
where: short stacking energy: -204.059
Base-Backbone interact. energy: 2.122
local terms energy: -216.576244
where:
bonds (distance) C4'-P energy: -30.685
bonds (distance) P-C4' energy: -44.699
flat angles C4'-P-C4' energy: -59.412
flat angles P-C4'-P energy: -31.419
tors. eta vs tors. theta energy: -50.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -680.051919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.051919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.051919 (E_RNA)
where:
Base-Base interactions energy: -452.556
where: short stacking energy: -186.918
Base-Backbone interact. energy: -1.158
local terms energy: -226.338449
where:
bonds (distance) C4'-P energy: -48.551
bonds (distance) P-C4' energy: -45.913
flat angles C4'-P-C4' energy: -52.425
flat angles P-C4'-P energy: -39.308
tors. eta vs tors. theta energy: -40.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -628.980186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.980186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.980186 (E_RNA)
where:
Base-Base interactions energy: -444.118
where: short stacking energy: -183.767
Base-Backbone interact. energy: -1.538
local terms energy: -183.324778
where:
bonds (distance) C4'-P energy: -38.512
bonds (distance) P-C4' energy: -49.562
flat angles C4'-P-C4' energy: -37.554
flat angles P-C4'-P energy: -18.366
tors. eta vs tors. theta energy: -39.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -595.163872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.163872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.163872 (E_RNA)
where:
Base-Base interactions energy: -407.118
where: short stacking energy: -168.971
Base-Backbone interact. energy: 2.895
local terms energy: -190.941401
where:
bonds (distance) C4'-P energy: -35.718
bonds (distance) P-C4' energy: -37.825
flat angles C4'-P-C4' energy: -58.214
flat angles P-C4'-P energy: -22.744
tors. eta vs tors. theta energy: -36.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -973.824971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.824971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.824971 (E_RNA)
where:
Base-Base interactions energy: -680.205
where: short stacking energy: -287.041
Base-Backbone interact. energy: -3.597
local terms energy: -290.022661
where:
bonds (distance) C4'-P energy: -51.785
bonds (distance) P-C4' energy: -52.307
flat angles C4'-P-C4' energy: -61.204
flat angles P-C4'-P energy: -38.048
tors. eta vs tors. theta energy: -86.678
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: 2, replica: 6
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -923.925544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.925544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.925544 (E_RNA)
where:
Base-Base interactions energy: -656.908
where: short stacking energy: -254.208
Base-Backbone interact. energy: -5.093
local terms energy: -261.924106
where:
bonds (distance) C4'-P energy: -49.290
bonds (distance) P-C4' energy: -52.924
flat angles C4'-P-C4' energy: -53.664
flat angles P-C4'-P energy: -35.567
tors. eta vs tors. theta energy: -70.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -936.504354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.504354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.504354 (E_RNA)
where:
Base-Base interactions energy: -649.807
where: short stacking energy: -258.306
Base-Backbone interact. energy: -2.493
local terms energy: -284.204774
where:
bonds (distance) C4'-P energy: -53.629
bonds (distance) P-C4' energy: -52.748
flat angles C4'-P-C4' energy: -59.204
flat angles P-C4'-P energy: -40.045
tors. eta vs tors. theta energy: -78.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -894.945051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.945051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.945051 (E_RNA)
where:
Base-Base interactions energy: -622.610
where: short stacking energy: -257.751
Base-Backbone interact. energy: -0.532
local terms energy: -271.803131
where:
bonds (distance) C4'-P energy: -46.768
bonds (distance) P-C4' energy: -48.670
flat angles C4'-P-C4' energy: -61.700
flat angles P-C4'-P energy: -33.563
tors. eta vs tors. theta energy: -81.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -805.617472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.617472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.617472 (E_RNA)
where:
Base-Base interactions energy: -558.037
where: short stacking energy: -234.101
Base-Backbone interact. energy: -1.168
local terms energy: -246.412922
where:
bonds (distance) C4'-P energy: -49.887
bonds (distance) P-C4' energy: -46.278
flat angles C4'-P-C4' energy: -50.890
flat angles P-C4'-P energy: -39.093
tors. eta vs tors. theta energy: -60.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -829.024670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.024670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.024670 (E_RNA)
where:
Base-Base interactions energy: -583.130
where: short stacking energy: -230.102
Base-Backbone interact. energy: -1.016
local terms energy: -244.878809
where:
bonds (distance) C4'-P energy: -43.516
bonds (distance) P-C4' energy: -49.472
flat angles C4'-P-C4' energy: -47.020
flat angles P-C4'-P energy: -40.880
tors. eta vs tors. theta energy: -63.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -748.958371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.958371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.958371 (E_RNA)
where:
Base-Base interactions energy: -513.050
where: short stacking energy: -199.524
Base-Backbone interact. energy: -0.542
local terms energy: -235.366458
where:
bonds (distance) C4'-P energy: -48.630
bonds (distance) P-C4' energy: -41.175
flat angles C4'-P-C4' energy: -55.390
flat angles P-C4'-P energy: -42.948
tors. eta vs tors. theta energy: -47.223
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: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -662.222492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.222492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.222492 (E_RNA)
where:
Base-Base interactions energy: -443.826
where: short stacking energy: -189.646
Base-Backbone interact. energy: -0.933
local terms energy: -217.463790
where:
bonds (distance) C4'-P energy: -45.276
bonds (distance) P-C4' energy: -49.067
flat angles C4'-P-C4' energy: -45.176
flat angles P-C4'-P energy: -32.719
tors. eta vs tors. theta energy: -45.226
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: 3
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -561.998198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.998198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.998198 (E_RNA)
where:
Base-Base interactions energy: -369.232
where: short stacking energy: -159.893
Base-Backbone interact. energy: 6.861
local terms energy: -199.626968
where:
bonds (distance) C4'-P energy: -45.226
bonds (distance) P-C4' energy: -34.896
flat angles C4'-P-C4' energy: -51.862
flat angles P-C4'-P energy: -32.646
tors. eta vs tors. theta energy: -34.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -546.557831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.557831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.557831 (E_RNA)
where:
Base-Base interactions energy: -350.269
where: short stacking energy: -151.314
Base-Backbone interact. energy: -0.941
local terms energy: -195.348016
where:
bonds (distance) C4'-P energy: -39.353
bonds (distance) P-C4' energy: -51.432
flat angles C4'-P-C4' energy: -54.173
flat angles P-C4'-P energy: -25.549
tors. eta vs tors. theta energy: -24.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -968.319060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.319060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.319060 (E_RNA)
where:
Base-Base interactions energy: -688.819
where: short stacking energy: -275.837
Base-Backbone interact. energy: -0.897
local terms energy: -278.602468
where:
bonds (distance) C4'-P energy: -59.743
bonds (distance) P-C4' energy: -53.085
flat angles C4'-P-C4' energy: -57.510
flat angles P-C4'-P energy: -29.602
tors. eta vs tors. theta energy: -78.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -935.351395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.351395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.351395 (E_RNA)
where:
Base-Base interactions energy: -653.056
where: short stacking energy: -255.483
Base-Backbone interact. energy: -1.635
local terms energy: -280.661118
where:
bonds (distance) C4'-P energy: -51.135
bonds (distance) P-C4' energy: -51.809
flat angles C4'-P-C4' energy: -60.161
flat angles P-C4'-P energy: -42.668
tors. eta vs tors. theta energy: -74.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -915.175928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.175928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.175928 (E_RNA)
where:
Base-Base interactions energy: -660.079
where: short stacking energy: -250.351
Base-Backbone interact. energy: 2.735
local terms energy: -257.832246
where:
bonds (distance) C4'-P energy: -53.103
bonds (distance) P-C4' energy: -47.178
flat angles C4'-P-C4' energy: -48.982
flat angles P-C4'-P energy: -33.993
tors. eta vs tors. theta energy: -74.577
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: 10
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -891.588629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.588629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.588629 (E_RNA)
where:
Base-Base interactions energy: -630.376
where: short stacking energy: -258.157
Base-Backbone interact. energy: 0.331
local terms energy: -261.543469
where:
bonds (distance) C4'-P energy: -47.352
bonds (distance) P-C4' energy: -52.834
flat angles C4'-P-C4' energy: -50.989
flat angles P-C4'-P energy: -41.046
tors. eta vs tors. theta energy: -69.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -808.077494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.077494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.077494 (E_RNA)
where:
Base-Base interactions energy: -554.856
where: short stacking energy: -240.491
Base-Backbone interact. energy: -0.585
local terms energy: -252.636993
where:
bonds (distance) C4'-P energy: -52.599
bonds (distance) P-C4' energy: -41.693
flat angles C4'-P-C4' energy: -49.714
flat angles P-C4'-P energy: -43.345
tors. eta vs tors. theta energy: -65.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -778.156587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.156587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.156587 (E_RNA)
where:
Base-Base interactions energy: -546.410
where: short stacking energy: -211.966
Base-Backbone interact. energy: -1.555
local terms energy: -230.191582
where:
bonds (distance) C4'-P energy: -43.073
bonds (distance) P-C4' energy: -50.624
flat angles C4'-P-C4' energy: -51.393
flat angles P-C4'-P energy: -30.641
tors. eta vs tors. theta energy: -54.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -754.734999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.734999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.734999 (E_RNA)
where:
Base-Base interactions energy: -509.429
where: short stacking energy: -209.776
Base-Backbone interact. energy: -1.399
local terms energy: -243.906768
where:
bonds (distance) C4'-P energy: -43.087
bonds (distance) P-C4' energy: -50.000
flat angles C4'-P-C4' energy: -55.211
flat angles P-C4'-P energy: -42.698
tors. eta vs tors. theta energy: -52.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -670.979449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.979449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.979449 (E_RNA)
where:
Base-Base interactions energy: -451.199
where: short stacking energy: -188.000
Base-Backbone interact. energy: 0.299
local terms energy: -220.079855
where:
bonds (distance) C4'-P energy: -48.888
bonds (distance) P-C4' energy: -46.620
flat angles C4'-P-C4' energy: -38.480
flat angles P-C4'-P energy: -34.271
tors. eta vs tors. theta energy: -51.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -564.469166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.469166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.469166 (E_RNA)
where:
Base-Base interactions energy: -383.226
where: short stacking energy: -166.633
Base-Backbone interact. energy: 0.297
local terms energy: -181.540869
where:
bonds (distance) C4'-P energy: -34.701
bonds (distance) P-C4' energy: -49.582
flat angles C4'-P-C4' energy: -41.539
flat angles P-C4'-P energy: -25.811
tors. eta vs tors. theta energy: -29.908
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: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -580.652829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.652829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.652829 (E_RNA)
where:
Base-Base interactions energy: -364.947
where: short stacking energy: -156.067
Base-Backbone interact. energy: 5.970
local terms energy: -221.675042
where:
bonds (distance) C4'-P energy: -40.772
bonds (distance) P-C4' energy: -46.141
flat angles C4'-P-C4' energy: -56.570
flat angles P-C4'-P energy: -42.702
tors. eta vs tors. theta energy: -35.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -973.426982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.426982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.426982 (E_RNA)
where:
Base-Base interactions energy: -675.680
where: short stacking energy: -285.396
Base-Backbone interact. energy: -1.087
local terms energy: -296.659403
where:
bonds (distance) C4'-P energy: -48.970
bonds (distance) P-C4' energy: -53.175
flat angles C4'-P-C4' energy: -62.787
flat angles P-C4'-P energy: -44.002
tors. eta vs tors. theta energy: -87.725
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: 6
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -939.290294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.290294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.290294 (E_RNA)
where:
Base-Base interactions energy: -657.744
where: short stacking energy: -261.939
Base-Backbone interact. energy: -4.169
local terms energy: -277.376941
where:
bonds (distance) C4'-P energy: -44.158
bonds (distance) P-C4' energy: -50.987
flat angles C4'-P-C4' energy: -57.887
flat angles P-C4'-P energy: -48.186
tors. eta vs tors. theta energy: -76.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -935.011191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.011191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.011191 (E_RNA)
where:
Base-Base interactions energy: -654.546
where: short stacking energy: -267.785
Base-Backbone interact. energy: -1.076
local terms energy: -279.389371
where:
bonds (distance) C4'-P energy: -54.784
bonds (distance) P-C4' energy: -51.135
flat angles C4'-P-C4' energy: -54.298
flat angles P-C4'-P energy: -39.834
tors. eta vs tors. theta energy: -79.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -890.798979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.798979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.798979 (E_RNA)
where:
Base-Base interactions energy: -620.270
where: short stacking energy: -263.998
Base-Backbone interact. energy: -1.845
local terms energy: -268.684758
where:
bonds (distance) C4'-P energy: -44.919
bonds (distance) P-C4' energy: -52.859
flat angles C4'-P-C4' energy: -56.534
flat angles P-C4'-P energy: -41.710
tors. eta vs tors. theta energy: -72.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -809.687377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.687377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.687377 (E_RNA)
where:
Base-Base interactions energy: -556.665
where: short stacking energy: -232.024
Base-Backbone interact. energy: -0.878
local terms energy: -252.143702
where:
bonds (distance) C4'-P energy: -48.037
bonds (distance) P-C4' energy: -51.628
flat angles C4'-P-C4' energy: -50.956
flat angles P-C4'-P energy: -34.175
tors. eta vs tors. theta energy: -67.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -800.014175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.014175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.014175 (E_RNA)
where:
Base-Base interactions energy: -548.772
where: short stacking energy: -220.873
Base-Backbone interact. energy: -2.523
local terms energy: -248.719423
where:
bonds (distance) C4'-P energy: -49.319
bonds (distance) P-C4' energy: -53.472
flat angles C4'-P-C4' energy: -49.486
flat angles P-C4'-P energy: -34.205
tors. eta vs tors. theta energy: -62.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -760.483055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.483055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.483055 (E_RNA)
where:
Base-Base interactions energy: -539.185
where: short stacking energy: -220.427
Base-Backbone interact. energy: 0.403
local terms energy: -221.701328
where:
bonds (distance) C4'-P energy: -44.558
bonds (distance) P-C4' energy: -47.037
flat angles C4'-P-C4' energy: -42.371
flat angles P-C4'-P energy: -33.976
tors. eta vs tors. theta energy: -53.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -672.353756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.353756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.353756 (E_RNA)
where:
Base-Base interactions energy: -449.204
where: short stacking energy: -197.016
Base-Backbone interact. energy: -1.334
local terms energy: -221.816283
where:
bonds (distance) C4'-P energy: -41.894
bonds (distance) P-C4' energy: -43.806
flat angles C4'-P-C4' energy: -53.361
flat angles P-C4'-P energy: -36.624
tors. eta vs tors. theta energy: -46.131
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: 60
Temperature: 1.300000
Total energy: -586.173778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.173778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.173778 (E_RNA)
where:
Base-Base interactions energy: -391.556
where: short stacking energy: -152.116
Base-Backbone interact. energy: 0.700
local terms energy: -195.317971
where:
bonds (distance) C4'-P energy: -41.589
bonds (distance) P-C4' energy: -54.789
flat angles C4'-P-C4' energy: -44.219
flat angles P-C4'-P energy: -25.876
tors. eta vs tors. theta energy: -28.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -520.989729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.989729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.989729 (E_RNA)
where:
Base-Base interactions energy: -328.427
where: short stacking energy: -153.949
Base-Backbone interact. energy: -1.386
local terms energy: -191.176660
where:
bonds (distance) C4'-P energy: -41.990
bonds (distance) P-C4' energy: -41.311
flat angles C4'-P-C4' energy: -37.827
flat angles P-C4'-P energy: -34.449
tors. eta vs tors. theta energy: -35.600
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: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -983.711773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.711773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.711773 (E_RNA)
where:
Base-Base interactions energy: -699.704
where: short stacking energy: -297.221
Base-Backbone interact. energy: -0.535
local terms energy: -283.472957
where:
bonds (distance) C4'-P energy: -50.146
bonds (distance) P-C4' energy: -49.756
flat angles C4'-P-C4' energy: -59.830
flat angles P-C4'-P energy: -35.754
tors. eta vs tors. theta energy: -87.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -958.911332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.911332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.911332 (E_RNA)
where:
Base-Base interactions energy: -684.873
where: short stacking energy: -259.497
Base-Backbone interact. energy: -0.085
local terms energy: -273.953295
where:
bonds (distance) C4'-P energy: -48.743
bonds (distance) P-C4' energy: -48.844
flat angles C4'-P-C4' energy: -53.536
flat angles P-C4'-P energy: -39.392
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: 3, replica: 6
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -935.692771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.692771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.692771 (E_RNA)
where:
Base-Base interactions energy: -646.031
where: short stacking energy: -269.257
Base-Backbone interact. energy: -0.749
local terms energy: -288.912629
where:
bonds (distance) C4'-P energy: -56.845
bonds (distance) P-C4' energy: -53.363
flat angles C4'-P-C4' energy: -60.036
flat angles P-C4'-P energy: -39.559
tors. eta vs tors. theta energy: -79.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -909.344885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.344885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.344885 (E_RNA)
where:
Base-Base interactions energy: -637.507
where: short stacking energy: -267.294
Base-Backbone interact. energy: 1.420
local terms energy: -273.258527
where:
bonds (distance) C4'-P energy: -42.692
bonds (distance) P-C4' energy: -49.279
flat angles C4'-P-C4' energy: -51.023
flat angles P-C4'-P energy: -49.527
tors. eta vs tors. theta energy: -80.737
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: 1
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -780.982891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.982891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.982891 (E_RNA)
where:
Base-Base interactions energy: -554.466
where: short stacking energy: -232.899
Base-Backbone interact. energy: -0.108
local terms energy: -226.408184
where:
bonds (distance) C4'-P energy: -44.719
bonds (distance) P-C4' energy: -46.804
flat angles C4'-P-C4' energy: -49.884
flat angles P-C4'-P energy: -27.501
tors. eta vs tors. theta energy: -57.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -772.962170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.962170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.962170 (E_RNA)
where:
Base-Base interactions energy: -534.654
where: short stacking energy: -200.712
Base-Backbone interact. energy: -1.367
local terms energy: -236.941601
where:
bonds (distance) C4'-P energy: -48.473
bonds (distance) P-C4' energy: -48.442
flat angles C4'-P-C4' energy: -53.179
flat angles P-C4'-P energy: -29.400
tors. eta vs tors. theta energy: -57.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -742.715066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.715066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.715066 (E_RNA)
where:
Base-Base interactions energy: -519.743
where: short stacking energy: -206.767
Base-Backbone interact. energy: -0.609
local terms energy: -222.363506
where:
bonds (distance) C4'-P energy: -43.582
bonds (distance) P-C4' energy: -50.946
flat angles C4'-P-C4' energy: -43.325
flat angles P-C4'-P energy: -30.627
tors. eta vs tors. theta energy: -53.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -699.209839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.209839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.209839 (E_RNA)
where:
Base-Base interactions energy: -464.839
where: short stacking energy: -202.842
Base-Backbone interact. energy: -0.534
local terms energy: -233.836961
where:
bonds (distance) C4'-P energy: -42.524
bonds (distance) P-C4' energy: -54.666
flat angles C4'-P-C4' energy: -58.813
flat angles P-C4'-P energy: -23.840
tors. eta vs tors. theta energy: -53.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -613.237408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.237408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.237408 (E_RNA)
where:
Base-Base interactions energy: -407.286
where: short stacking energy: -176.394
Base-Backbone interact. energy: -0.219
local terms energy: -205.732922
where:
bonds (distance) C4'-P energy: -50.190
bonds (distance) P-C4' energy: -42.882
flat angles C4'-P-C4' energy: -54.346
flat angles P-C4'-P energy: -23.925
tors. eta vs tors. theta energy: -34.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -553.027611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.027611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.027611 (E_RNA)
where:
Base-Base interactions energy: -369.888
where: short stacking energy: -151.423
Base-Backbone interact. energy: 1.491
local terms energy: -184.630659
where:
bonds (distance) C4'-P energy: -36.924
bonds (distance) P-C4' energy: -43.885
flat angles C4'-P-C4' energy: -47.820
flat angles P-C4'-P energy: -26.756
tors. eta vs tors. theta energy: -29.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -990.708288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.708288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.708288 (E_RNA)
where:
Base-Base interactions energy: -683.043
where: short stacking energy: -285.468
Base-Backbone interact. energy: -0.910
local terms energy: -306.755302
where:
bonds (distance) C4'-P energy: -58.202
bonds (distance) P-C4' energy: -58.349
flat angles C4'-P-C4' energy: -60.642
flat angles P-C4'-P energy: -41.116
tors. eta vs tors. theta energy: -88.446
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: 2, replica: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -953.066291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.066291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.066291 (E_RNA)
where:
Base-Base interactions energy: -662.199
where: short stacking energy: -264.913
Base-Backbone interact. energy: -2.240
local terms energy: -288.627106
where:
bonds (distance) C4'-P energy: -52.176
bonds (distance) P-C4' energy: -50.815
flat angles C4'-P-C4' energy: -64.760
flat angles P-C4'-P energy: -40.788
tors. eta vs tors. theta energy: -80.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -921.552072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.552072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.552072 (E_RNA)
where:
Base-Base interactions energy: -636.613
where: short stacking energy: -256.935
Base-Backbone interact. energy: -1.217
local terms energy: -283.722024
where:
bonds (distance) C4'-P energy: -53.917
bonds (distance) P-C4' energy: -47.074
flat angles C4'-P-C4' energy: -56.667
flat angles P-C4'-P energy: -42.486
tors. eta vs tors. theta energy: -83.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -880.030520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.030520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.030520 (E_RNA)
where:
Base-Base interactions energy: -614.623
where: short stacking energy: -250.396
Base-Backbone interact. energy: -0.562
local terms energy: -264.845575
where:
bonds (distance) C4'-P energy: -49.133
bonds (distance) P-C4' energy: -52.949
flat angles C4'-P-C4' energy: -55.679
flat angles P-C4'-P energy: -39.945
tors. eta vs tors. theta energy: -67.139
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: 7
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -789.650504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.650504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.650504 (E_RNA)
where:
Base-Base interactions energy: -545.462
where: short stacking energy: -215.187
Base-Backbone interact. energy: -1.647
local terms energy: -242.541439
where:
bonds (distance) C4'-P energy: -47.631
bonds (distance) P-C4' energy: -48.376
flat angles C4'-P-C4' energy: -55.497
flat angles P-C4'-P energy: -37.960
tors. eta vs tors. theta energy: -53.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -758.253378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.253378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.253378 (E_RNA)
where:
Base-Base interactions energy: -522.571
where: short stacking energy: -223.298
Base-Backbone interact. energy: 1.093
local terms energy: -236.774981
where:
bonds (distance) C4'-P energy: -48.558
bonds (distance) P-C4' energy: -38.573
flat angles C4'-P-C4' energy: -51.895
flat angles P-C4'-P energy: -38.001
tors. eta vs tors. theta energy: -59.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -761.885950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.885950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.885950 (E_RNA)
where:
Base-Base interactions energy: -531.942
where: short stacking energy: -221.936
Base-Backbone interact. energy: -1.425
local terms energy: -228.519314
where:
bonds (distance) C4'-P energy: -38.556
bonds (distance) P-C4' energy: -40.334
flat angles C4'-P-C4' energy: -54.564
flat angles P-C4'-P energy: -34.172
tors. eta vs tors. theta energy: -60.894
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: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -700.132846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.132846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.132846 (E_RNA)
where:
Base-Base interactions energy: -500.506
where: short stacking energy: -214.407
Base-Backbone interact. energy: -1.202
local terms energy: -198.424698
where:
bonds (distance) C4'-P energy: -39.673
bonds (distance) P-C4' energy: -43.354
flat angles C4'-P-C4' energy: -44.404
flat angles P-C4'-P energy: -16.230
tors. eta vs tors. theta energy: -54.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -602.290732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.290732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.290732 (E_RNA)
where:
Base-Base interactions energy: -420.685
where: short stacking energy: -193.533
Base-Backbone interact. energy: -0.007
local terms energy: -181.598662
where:
bonds (distance) C4'-P energy: -36.561
bonds (distance) P-C4' energy: -35.703
flat angles C4'-P-C4' energy: -49.952
flat angles P-C4'-P energy: -21.664
tors. eta vs tors. theta energy: -37.719
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: 3
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -607.930714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.930714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.930714 (E_RNA)
where:
Base-Base interactions energy: -429.590
where: short stacking energy: -181.346
Base-Backbone interact. energy: -0.328
local terms energy: -178.012732
where:
bonds (distance) C4'-P energy: -40.010
bonds (distance) P-C4' energy: -31.624
flat angles C4'-P-C4' energy: -56.848
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: -31.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -967.209871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.209871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.209871 (E_RNA)
where:
Base-Base interactions energy: -674.749
where: short stacking energy: -276.736
Base-Backbone interact. energy: -2.216
local terms energy: -290.245303
where:
bonds (distance) C4'-P energy: -54.495
bonds (distance) P-C4' energy: -51.910
flat angles C4'-P-C4' energy: -55.770
flat angles P-C4'-P energy: -43.710
tors. eta vs tors. theta energy: -84.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -939.765466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.765466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.765466 (E_RNA)
where:
Base-Base interactions energy: -664.401
where: short stacking energy: -255.159
Base-Backbone interact. energy: -3.623
local terms energy: -271.740821
where:
bonds (distance) C4'-P energy: -51.558
bonds (distance) P-C4' energy: -52.838
flat angles C4'-P-C4' energy: -55.083
flat angles P-C4'-P energy: -34.567
tors. eta vs tors. theta energy: -77.694
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: 6
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -922.563190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.563190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.563190 (E_RNA)
where:
Base-Base interactions energy: -637.723
where: short stacking energy: -261.189
Base-Backbone interact. energy: -3.435
local terms energy: -281.405290
where:
bonds (distance) C4'-P energy: -46.815
bonds (distance) P-C4' energy: -53.357
flat angles C4'-P-C4' energy: -57.214
flat angles P-C4'-P energy: -45.650
tors. eta vs tors. theta energy: -78.370
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: 10
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -905.990447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.990447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.990447 (E_RNA)
where:
Base-Base interactions energy: -642.811
where: short stacking energy: -244.424
Base-Backbone interact. energy: 0.033
local terms energy: -263.212508
where:
bonds (distance) C4'-P energy: -42.693
bonds (distance) P-C4' energy: -47.138
flat angles C4'-P-C4' energy: -62.523
flat angles P-C4'-P energy: -41.227
tors. eta vs tors. theta energy: -69.631
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: 7
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -809.859434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.859434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.859434 (E_RNA)
where:
Base-Base interactions energy: -574.953
where: short stacking energy: -227.319
Base-Backbone interact. energy: 0.377
local terms energy: -235.283825
where:
bonds (distance) C4'-P energy: -49.748
bonds (distance) P-C4' energy: -42.378
flat angles C4'-P-C4' energy: -48.541
flat angles P-C4'-P energy: -33.967
tors. eta vs tors. theta energy: -60.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -788.760511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.760511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.760511 (E_RNA)
where:
Base-Base interactions energy: -558.143
where: short stacking energy: -225.016
Base-Backbone interact. energy: -1.141
local terms energy: -229.477367
where:
bonds (distance) C4'-P energy: -34.529
bonds (distance) P-C4' energy: -37.219
flat angles C4'-P-C4' energy: -62.514
flat angles P-C4'-P energy: -40.915
tors. eta vs tors. theta energy: -54.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -730.756973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.756973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.756973 (E_RNA)
where:
Base-Base interactions energy: -495.263
where: short stacking energy: -192.271
Base-Backbone interact. energy: -0.767
local terms energy: -234.726718
where:
bonds (distance) C4'-P energy: -37.579
bonds (distance) P-C4' energy: -59.574
flat angles C4'-P-C4' energy: -59.622
flat angles P-C4'-P energy: -25.803
tors. eta vs tors. theta energy: -52.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -709.369696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.369696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.369696 (E_RNA)
where:
Base-Base interactions energy: -494.416
where: short stacking energy: -212.884
Base-Backbone interact. energy: -1.272
local terms energy: -213.681184
where:
bonds (distance) C4'-P energy: -28.263
bonds (distance) P-C4' energy: -49.227
flat angles C4'-P-C4' energy: -52.602
flat angles P-C4'-P energy: -30.463
tors. eta vs tors. theta energy: -53.126
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: 9
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -646.906461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.906461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.906461 (E_RNA)
where:
Base-Base interactions energy: -450.409
where: short stacking energy: -204.121
Base-Backbone interact. energy: 0.084
local terms energy: -196.581687
where:
bonds (distance) C4'-P energy: -38.324
bonds (distance) P-C4' energy: -39.093
flat angles C4'-P-C4' energy: -46.052
flat angles P-C4'-P energy: -27.878
tors. eta vs tors. theta energy: -45.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -624.782450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.782450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.782450 (E_RNA)
where:
Base-Base interactions energy: -434.902
where: short stacking energy: -174.514
Base-Backbone interact. energy: 1.261
local terms energy: -191.141477
where:
bonds (distance) C4'-P energy: -46.491
bonds (distance) P-C4' energy: -38.200
flat angles C4'-P-C4' energy: -44.918
flat angles P-C4'-P energy: -23.162
tors. eta vs tors. theta energy: -38.371
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: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -951.261491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.261491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.261491 (E_RNA)
where:
Base-Base interactions energy: -666.039
where: short stacking energy: -250.536
Base-Backbone interact. energy: -2.125
local terms energy: -283.097234
where:
bonds (distance) C4'-P energy: -58.634
bonds (distance) P-C4' energy: -56.125
flat angles C4'-P-C4' energy: -59.641
flat angles P-C4'-P energy: -30.378
tors. eta vs tors. theta energy: -78.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -952.835074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.835074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.835074 (E_RNA)
where:
Base-Base interactions energy: -663.199
where: short stacking energy: -282.813
Base-Backbone interact. energy: -3.778
local terms energy: -285.858537
where:
bonds (distance) C4'-P energy: -48.710
bonds (distance) P-C4' energy: -47.075
flat angles C4'-P-C4' energy: -61.946
flat angles P-C4'-P energy: -40.951
tors. eta vs tors. theta energy: -87.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -928.175415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.175415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.175415 (E_RNA)
where:
Base-Base interactions energy: -643.343
where: short stacking energy: -245.138
Base-Backbone interact. energy: -1.607
local terms energy: -283.225750
where:
bonds (distance) C4'-P energy: -55.737
bonds (distance) P-C4' energy: -52.198
flat angles C4'-P-C4' energy: -53.522
flat angles P-C4'-P energy: -43.365
tors. eta vs tors. theta energy: -78.404
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: 10
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -906.924608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.924608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.924608 (E_RNA)
where:
Base-Base interactions energy: -633.231
where: short stacking energy: -254.951
Base-Backbone interact. energy: -0.694
local terms energy: -272.999406
where:
bonds (distance) C4'-P energy: -49.044
bonds (distance) P-C4' energy: -58.104
flat angles C4'-P-C4' energy: -56.852
flat angles P-C4'-P energy: -40.602
tors. eta vs tors. theta energy: -68.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -839.241548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.241548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.241548 (E_RNA)
where:
Base-Base interactions energy: -606.327
where: short stacking energy: -248.058
Base-Backbone interact. energy: -2.002
local terms energy: -230.913411
where:
bonds (distance) C4'-P energy: -42.337
bonds (distance) P-C4' energy: -34.434
flat angles C4'-P-C4' energy: -51.235
flat angles P-C4'-P energy: -37.230
tors. eta vs tors. theta energy: -65.678
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: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -767.925515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.925515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.925515 (E_RNA)
where:
Base-Base interactions energy: -538.556
where: short stacking energy: -210.140
Base-Backbone interact. energy: 2.492
local terms energy: -231.861619
where:
bonds (distance) C4'-P energy: -40.994
bonds (distance) P-C4' energy: -54.724
flat angles C4'-P-C4' energy: -53.308
flat angles P-C4'-P energy: -34.923
tors. eta vs tors. theta energy: -47.912
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: 7, replica: 5
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -753.606371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.606371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.606371 (E_RNA)
where:
Base-Base interactions energy: -514.977
where: short stacking energy: -204.053
Base-Backbone interact. energy: 0.306
local terms energy: -238.935000
where:
bonds (distance) C4'-P energy: -54.756
bonds (distance) P-C4' energy: -50.133
flat angles C4'-P-C4' energy: -50.438
flat angles P-C4'-P energy: -29.350
tors. eta vs tors. theta energy: -54.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -696.604601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.604601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.604601 (E_RNA)
where:
Base-Base interactions energy: -489.866
where: short stacking energy: -182.990
Base-Backbone interact. energy: -0.515
local terms energy: -206.223343
where:
bonds (distance) C4'-P energy: -35.464
bonds (distance) P-C4' energy: -42.991
flat angles C4'-P-C4' energy: -45.645
flat angles P-C4'-P energy: -33.803
tors. eta vs tors. theta energy: -48.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -585.976680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.976680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.976680 (E_RNA)
where:
Base-Base interactions energy: -397.535
where: short stacking energy: -171.622
Base-Backbone interact. energy: 1.343
local terms energy: -189.784745
where:
bonds (distance) C4'-P energy: -44.724
bonds (distance) P-C4' energy: -41.545
flat angles C4'-P-C4' energy: -41.318
flat angles P-C4'-P energy: -25.765
tors. eta vs tors. theta energy: -36.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -589.944346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.944346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.944346 (E_RNA)
where:
Base-Base interactions energy: -397.914
where: short stacking energy: -173.164
Base-Backbone interact. energy: -0.590
local terms energy: -191.440461
where:
bonds (distance) C4'-P energy: -39.094
bonds (distance) P-C4' energy: -52.529
flat angles C4'-P-C4' energy: -47.747
flat angles P-C4'-P energy: -20.327
tors. eta vs tors. theta energy: -31.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -982.201161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.201161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.201161 (E_RNA)
where:
Base-Base interactions energy: -686.852
where: short stacking energy: -274.095
Base-Backbone interact. energy: -1.260
local terms energy: -294.089152
where:
bonds (distance) C4'-P energy: -58.860
bonds (distance) P-C4' energy: -54.707
flat angles C4'-P-C4' energy: -60.388
flat angles P-C4'-P energy: -40.773
tors. eta vs tors. theta energy: -79.362
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: 6
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -959.330955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.330955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.330955 (E_RNA)
where:
Base-Base interactions energy: -671.532
where: short stacking energy: -265.880
Base-Backbone interact. energy: -2.644
local terms energy: -285.154521
where:
bonds (distance) C4'-P energy: -53.002
bonds (distance) P-C4' energy: -57.109
flat angles C4'-P-C4' energy: -52.541
flat angles P-C4'-P energy: -41.150
tors. eta vs tors. theta energy: -81.351
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: 65
Temperature: 1.000000
Total energy: -931.993724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.993724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.993724 (E_RNA)
where:
Base-Base interactions energy: -658.149
where: short stacking energy: -261.638
Base-Backbone interact. energy: -0.957
local terms energy: -272.887637
where:
bonds (distance) C4'-P energy: -56.708
bonds (distance) P-C4' energy: -47.016
flat angles C4'-P-C4' energy: -51.004
flat angles P-C4'-P energy: -36.823
tors. eta vs tors. theta energy: -81.337
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: 4, replica: 10
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -908.015970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.015970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.015970 (E_RNA)
where:
Base-Base interactions energy: -651.175
where: short stacking energy: -265.541
Base-Backbone interact. energy: -1.338
local terms energy: -255.502646
where:
bonds (distance) C4'-P energy: -51.484
bonds (distance) P-C4' energy: -41.793
flat angles C4'-P-C4' energy: -55.963
flat angles P-C4'-P energy: -34.925
tors. eta vs tors. theta energy: -71.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -833.805869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.805869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.805869 (E_RNA)
where:
Base-Base interactions energy: -588.948
where: short stacking energy: -240.778
Base-Backbone interact. energy: -1.634
local terms energy: -243.223088
where:
bonds (distance) C4'-P energy: -39.235
bonds (distance) P-C4' energy: -48.393
flat angles C4'-P-C4' energy: -52.755
flat angles P-C4'-P energy: -35.056
tors. eta vs tors. theta energy: -67.784
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: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -750.892609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.892609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.892609 (E_RNA)
where:
Base-Base interactions energy: -511.682
where: short stacking energy: -196.071
Base-Backbone interact. energy: -1.902
local terms energy: -237.309233
where:
bonds (distance) C4'-P energy: -49.384
bonds (distance) P-C4' energy: -48.298
flat angles C4'-P-C4' energy: -51.218
flat angles P-C4'-P energy: -40.740
tors. eta vs tors. theta energy: -47.668
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: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -749.667771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.667771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.667771 (E_RNA)
where:
Base-Base interactions energy: -509.696
where: short stacking energy: -215.012
Base-Backbone interact. energy: -0.844
local terms energy: -239.127941
where:
bonds (distance) C4'-P energy: -51.814
bonds (distance) P-C4' energy: -46.419
flat angles C4'-P-C4' energy: -53.805
flat angles P-C4'-P energy: -32.337
tors. eta vs tors. theta energy: -54.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -701.874613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.874613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.874613 (E_RNA)
where:
Base-Base interactions energy: -482.889
where: short stacking energy: -189.387
Base-Backbone interact. energy: 3.561
local terms energy: -222.547129
where:
bonds (distance) C4'-P energy: -43.798
bonds (distance) P-C4' energy: -42.518
flat angles C4'-P-C4' energy: -52.903
flat angles P-C4'-P energy: -33.146
tors. eta vs tors. theta energy: -50.181
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: 3
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -573.598263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.598263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.598263 (E_RNA)
where:
Base-Base interactions energy: -394.711
where: short stacking energy: -160.398
Base-Backbone interact. energy: 3.288
local terms energy: -182.174918
where:
bonds (distance) C4'-P energy: -37.411
bonds (distance) P-C4' energy: -36.497
flat angles C4'-P-C4' energy: -54.431
flat angles P-C4'-P energy: -31.677
tors. eta vs tors. theta energy: -22.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -597.571742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.571742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.571742 (E_RNA)
where:
Base-Base interactions energy: -380.487
where: short stacking energy: -165.558
Base-Backbone interact. energy: -1.675
local terms energy: -215.410026
where:
bonds (distance) C4'-P energy: -50.880
bonds (distance) P-C4' energy: -50.132
flat angles C4'-P-C4' energy: -39.388
flat angles P-C4'-P energy: -35.314
tors. eta vs tors. theta energy: -39.696
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: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -986.256523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.256523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.256523 (E_RNA)
where:
Base-Base interactions energy: -677.125
where: short stacking energy: -279.210
Base-Backbone interact. energy: -2.256
local terms energy: -306.874678
where:
bonds (distance) C4'-P energy: -60.097
bonds (distance) P-C4' energy: -53.836
flat angles C4'-P-C4' energy: -63.293
flat angles P-C4'-P energy: -42.102
tors. eta vs tors. theta energy: -87.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -959.512741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.512741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.512741 (E_RNA)
where:
Base-Base interactions energy: -671.954
where: short stacking energy: -275.310
Base-Backbone interact. energy: 1.433
local terms energy: -288.990959
where:
bonds (distance) C4'-P energy: -48.641
bonds (distance) P-C4' energy: -54.861
flat angles C4'-P-C4' energy: -63.504
flat angles P-C4'-P energy: -43.004
tors. eta vs tors. theta energy: -78.980
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: 3, replica: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -950.385297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.385297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.385297 (E_RNA)
where:
Base-Base interactions energy: -660.936
where: short stacking energy: -270.409
Base-Backbone interact. energy: -3.215
local terms energy: -286.234765
where:
bonds (distance) C4'-P energy: -45.672
bonds (distance) P-C4' energy: -61.774
flat angles C4'-P-C4' energy: -59.085
flat angles P-C4'-P energy: -36.611
tors. eta vs tors. theta energy: -83.092
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: 10
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -903.092970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.092970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.092970 (E_RNA)
where:
Base-Base interactions energy: -642.709
where: short stacking energy: -263.512
Base-Backbone interact. energy: -1.187
local terms energy: -259.196484
where:
bonds (distance) C4'-P energy: -45.730
bonds (distance) P-C4' energy: -46.933
flat angles C4'-P-C4' energy: -52.649
flat angles P-C4'-P energy: -42.047
tors. eta vs tors. theta energy: -71.837
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: 1
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -792.120115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.120115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.120115 (E_RNA)
where:
Base-Base interactions energy: -539.610
where: short stacking energy: -218.599
Base-Backbone interact. energy: -0.849
local terms energy: -251.661328
where:
bonds (distance) C4'-P energy: -52.570
bonds (distance) P-C4' energy: -46.252
flat angles C4'-P-C4' energy: -53.298
flat angles P-C4'-P energy: -40.848
tors. eta vs tors. theta energy: -58.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -788.654988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.654988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.654988 (E_RNA)
where:
Base-Base interactions energy: -552.872
where: short stacking energy: -231.601
Base-Backbone interact. energy: 1.135
local terms energy: -236.918013
where:
bonds (distance) C4'-P energy: -52.350
bonds (distance) P-C4' energy: -39.243
flat angles C4'-P-C4' energy: -50.048
flat angles P-C4'-P energy: -35.691
tors. eta vs tors. theta energy: -59.587
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: 7, replica: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -749.084028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.084028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.084028 (E_RNA)
where:
Base-Base interactions energy: -510.372
where: short stacking energy: -218.824
Base-Backbone interact. energy: -2.648
local terms energy: -236.064268
where:
bonds (distance) C4'-P energy: -44.211
bonds (distance) P-C4' energy: -45.360
flat angles C4'-P-C4' energy: -57.919
flat angles P-C4'-P energy: -37.607
tors. eta vs tors. theta energy: -50.967
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: 66
Temperature: 1.250000
Total energy: -677.483481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.483481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.483481 (E_RNA)
where:
Base-Base interactions energy: -454.795
where: short stacking energy: -192.821
Base-Backbone interact. energy: -0.223
local terms energy: -222.465074
where:
bonds (distance) C4'-P energy: -48.476
bonds (distance) P-C4' energy: -48.895
flat angles C4'-P-C4' energy: -44.267
flat angles P-C4'-P energy: -32.934
tors. eta vs tors. theta energy: -47.893
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: 66
Temperature: 1.300000
Total energy: -646.709185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.709185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.709185 (E_RNA)
where:
Base-Base interactions energy: -434.844
where: short stacking energy: -190.518
Base-Backbone interact. energy: -0.362
local terms energy: -211.502657
where:
bonds (distance) C4'-P energy: -43.714
bonds (distance) P-C4' energy: -53.139
flat angles C4'-P-C4' energy: -28.574
flat angles P-C4'-P energy: -39.569
tors. eta vs tors. theta energy: -46.507
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: 3
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -536.073840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.073840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.073840 (E_RNA)
where:
Base-Base interactions energy: -351.810
where: short stacking energy: -166.267
Base-Backbone interact. energy: -1.606
local terms energy: -182.658347
where:
bonds (distance) C4'-P energy: -39.394
bonds (distance) P-C4' energy: -42.160
flat angles C4'-P-C4' energy: -40.349
flat angles P-C4'-P energy: -28.365
tors. eta vs tors. theta energy: -32.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -988.115279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.115279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.115279 (E_RNA)
where:
Base-Base interactions energy: -698.406
where: short stacking energy: -276.421
Base-Backbone interact. energy: -1.584
local terms energy: -288.124914
where:
bonds (distance) C4'-P energy: -51.415
bonds (distance) P-C4' energy: -49.666
flat angles C4'-P-C4' energy: -58.387
flat angles P-C4'-P energy: -39.917
tors. eta vs tors. theta energy: -88.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -946.196069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.196069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.196069 (E_RNA)
where:
Base-Base interactions energy: -660.997
where: short stacking energy: -279.929
Base-Backbone interact. energy: -1.033
local terms energy: -284.166036
where:
bonds (distance) C4'-P energy: -52.527
bonds (distance) P-C4' energy: -54.800
flat angles C4'-P-C4' energy: -52.462
flat angles P-C4'-P energy: -42.164
tors. eta vs tors. theta energy: -82.213
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: 3, replica: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -895.333433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.333433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.333433 (E_RNA)
where:
Base-Base interactions energy: -620.980
where: short stacking energy: -255.213
Base-Backbone interact. energy: 1.055
local terms energy: -275.408312
where:
bonds (distance) C4'-P energy: -50.054
bonds (distance) P-C4' energy: -54.330
flat angles C4'-P-C4' energy: -58.996
flat angles P-C4'-P energy: -34.465
tors. eta vs tors. theta energy: -77.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -909.968888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.968888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.968888 (E_RNA)
where:
Base-Base interactions energy: -629.591
where: short stacking energy: -258.818
Base-Backbone interact. energy: 2.188
local terms energy: -282.565751
where:
bonds (distance) C4'-P energy: -56.278
bonds (distance) P-C4' energy: -47.480
flat angles C4'-P-C4' energy: -57.641
flat angles P-C4'-P energy: -49.700
tors. eta vs tors. theta energy: -71.466
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: 1
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -803.375391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.375391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.375391 (E_RNA)
where:
Base-Base interactions energy: -557.803
where: short stacking energy: -228.647
Base-Backbone interact. energy: -1.436
local terms energy: -244.136345
where:
bonds (distance) C4'-P energy: -44.061
bonds (distance) P-C4' energy: -44.213
flat angles C4'-P-C4' energy: -55.538
flat angles P-C4'-P energy: -38.512
tors. eta vs tors. theta energy: -61.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -785.038444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.038444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.038444 (E_RNA)
where:
Base-Base interactions energy: -566.800
where: short stacking energy: -226.881
Base-Backbone interact. energy: -3.233
local terms energy: -215.005037
where:
bonds (distance) C4'-P energy: -41.401
bonds (distance) P-C4' energy: -31.987
flat angles C4'-P-C4' energy: -42.225
flat angles P-C4'-P energy: -37.094
tors. eta vs tors. theta energy: -62.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -767.559595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.559595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.559595 (E_RNA)
where:
Base-Base interactions energy: -532.098
where: short stacking energy: -214.829
Base-Backbone interact. energy: -0.087
local terms energy: -235.375520
where:
bonds (distance) C4'-P energy: -42.884
bonds (distance) P-C4' energy: -44.576
flat angles C4'-P-C4' energy: -55.374
flat angles P-C4'-P energy: -37.102
tors. eta vs tors. theta energy: -55.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -678.164793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.164793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.164793 (E_RNA)
where:
Base-Base interactions energy: -461.081
where: short stacking energy: -198.442
Base-Backbone interact. energy: -0.475
local terms energy: -216.609468
where:
bonds (distance) C4'-P energy: -51.030
bonds (distance) P-C4' energy: -38.293
flat angles C4'-P-C4' energy: -56.964
flat angles P-C4'-P energy: -32.443
tors. eta vs tors. theta energy: -37.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -641.862076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.862076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.862076 (E_RNA)
where:
Base-Base interactions energy: -439.352
where: short stacking energy: -188.766
Base-Backbone interact. energy: 0.610
local terms energy: -203.119902
where:
bonds (distance) C4'-P energy: -41.651
bonds (distance) P-C4' energy: -46.577
flat angles C4'-P-C4' energy: -47.701
flat angles P-C4'-P energy: -23.171
tors. eta vs tors. theta energy: -44.020
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: 3
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -520.746274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.746274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.746274 (E_RNA)
where:
Base-Base interactions energy: -340.018
where: short stacking energy: -142.526
Base-Backbone interact. energy: -0.149
local terms energy: -180.578800
where:
bonds (distance) C4'-P energy: -50.517
bonds (distance) P-C4' energy: -40.526
flat angles C4'-P-C4' energy: -38.712
flat angles P-C4'-P energy: -27.758
tors. eta vs tors. theta energy: -23.066
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: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1003.461711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.461711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.461711 (E_RNA)
where:
Base-Base interactions energy: -700.391
where: short stacking energy: -276.470
Base-Backbone interact. energy: 0.259
local terms energy: -303.329930
where:
bonds (distance) C4'-P energy: -57.279
bonds (distance) P-C4' energy: -57.952
flat angles C4'-P-C4' energy: -57.160
flat angles P-C4'-P energy: -46.965
tors. eta vs tors. theta energy: -83.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -947.030290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.030290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.030290 (E_RNA)
where:
Base-Base interactions energy: -666.988
where: short stacking energy: -269.451
Base-Backbone interact. energy: -1.096
local terms energy: -278.946113
where:
bonds (distance) C4'-P energy: -59.461
bonds (distance) P-C4' energy: -43.873
flat angles C4'-P-C4' energy: -56.826
flat angles P-C4'-P energy: -40.369
tors. eta vs tors. theta energy: -78.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -926.227367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.227367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.227367 (E_RNA)
where:
Base-Base interactions energy: -658.903
where: short stacking energy: -255.516
Base-Backbone interact. energy: -2.626
local terms energy: -264.697997
where:
bonds (distance) C4'-P energy: -45.762
bonds (distance) P-C4' energy: -47.723
flat angles C4'-P-C4' energy: -52.926
flat angles P-C4'-P energy: -47.134
tors. eta vs tors. theta energy: -71.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -885.442179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.442179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.442179 (E_RNA)
where:
Base-Base interactions energy: -625.037
where: short stacking energy: -253.271
Base-Backbone interact. energy: 0.428
local terms energy: -260.833473
where:
bonds (distance) C4'-P energy: -46.879
bonds (distance) P-C4' energy: -50.982
flat angles C4'-P-C4' energy: -51.979
flat angles P-C4'-P energy: -41.091
tors. eta vs tors. theta energy: -69.903
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: 1
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -803.169883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.169883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.169883 (E_RNA)
where:
Base-Base interactions energy: -550.646
where: short stacking energy: -237.723
Base-Backbone interact. energy: -0.753
local terms energy: -251.770727
where:
bonds (distance) C4'-P energy: -50.381
bonds (distance) P-C4' energy: -54.587
flat angles C4'-P-C4' energy: -49.382
flat angles P-C4'-P energy: -37.198
tors. eta vs tors. theta energy: -60.222
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: 6, replica: 7
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -794.955231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.955231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.955231 (E_RNA)
where:
Base-Base interactions energy: -562.637
where: short stacking energy: -218.396
Base-Backbone interact. energy: -1.294
local terms energy: -231.023652
where:
bonds (distance) C4'-P energy: -46.005
bonds (distance) P-C4' energy: -49.576
flat angles C4'-P-C4' energy: -42.926
flat angles P-C4'-P energy: -33.201
tors. eta vs tors. theta energy: -59.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -744.061791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.061791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.061791 (E_RNA)
where:
Base-Base interactions energy: -528.351
where: short stacking energy: -210.499
Base-Backbone interact. energy: -0.521
local terms energy: -215.189057
where:
bonds (distance) C4'-P energy: -44.929
bonds (distance) P-C4' energy: -54.400
flat angles C4'-P-C4' energy: -42.928
flat angles P-C4'-P energy: -23.061
tors. eta vs tors. theta energy: -49.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -710.906467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.906467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.906467 (E_RNA)
where:
Base-Base interactions energy: -478.452
where: short stacking energy: -202.567
Base-Backbone interact. energy: -0.210
local terms energy: -232.244727
where:
bonds (distance) C4'-P energy: -47.844
bonds (distance) P-C4' energy: -39.439
flat angles C4'-P-C4' energy: -49.697
flat angles P-C4'-P energy: -41.782
tors. eta vs tors. theta energy: -53.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -669.419022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.419022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.419022 (E_RNA)
where:
Base-Base interactions energy: -457.378
where: short stacking energy: -185.763
Base-Backbone interact. energy: 1.361
local terms energy: -213.401443
where:
bonds (distance) C4'-P energy: -40.318
bonds (distance) P-C4' energy: -41.834
flat angles C4'-P-C4' energy: -48.818
flat angles P-C4'-P energy: -33.746
tors. eta vs tors. theta energy: -48.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -567.158509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.158509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.158509 (E_RNA)
where:
Base-Base interactions energy: -374.794
where: short stacking energy: -168.642
Base-Backbone interact. energy: 0.821
local terms energy: -193.186073
where:
bonds (distance) C4'-P energy: -43.405
bonds (distance) P-C4' energy: -33.848
flat angles C4'-P-C4' energy: -48.766
flat angles P-C4'-P energy: -24.385
tors. eta vs tors. theta energy: -42.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -973.878846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.878846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.878846 (E_RNA)
where:
Base-Base interactions energy: -677.909
where: short stacking energy: -272.696
Base-Backbone interact. energy: -3.791
local terms energy: -292.179001
where:
bonds (distance) C4'-P energy: -49.786
bonds (distance) P-C4' energy: -53.894
flat angles C4'-P-C4' energy: -58.452
flat angles P-C4'-P energy: -43.421
tors. eta vs tors. theta energy: -86.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -956.145938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.145938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.145938 (E_RNA)
where:
Base-Base interactions energy: -673.468
where: short stacking energy: -275.168
Base-Backbone interact. energy: -0.775
local terms energy: -281.902480
where:
bonds (distance) C4'-P energy: -50.122
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -61.861
flat angles P-C4'-P energy: -41.876
tors. eta vs tors. theta energy: -72.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -917.433333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.433333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.433333 (E_RNA)
where:
Base-Base interactions energy: -645.282
where: short stacking energy: -262.273
Base-Backbone interact. energy: -1.462
local terms energy: -270.689183
where:
bonds (distance) C4'-P energy: -48.190
bonds (distance) P-C4' energy: -49.036
flat angles C4'-P-C4' energy: -53.397
flat angles P-C4'-P energy: -36.805
tors. eta vs tors. theta energy: -83.262
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: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -889.220277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.220277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.220277 (E_RNA)
where:
Base-Base interactions energy: -628.272
where: short stacking energy: -236.232
Base-Backbone interact. energy: -0.201
local terms energy: -260.746909
where:
bonds (distance) C4'-P energy: -44.380
bonds (distance) P-C4' energy: -44.064
flat angles C4'-P-C4' energy: -59.301
flat angles P-C4'-P energy: -39.477
tors. eta vs tors. theta energy: -73.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -803.224214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.224214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.224214 (E_RNA)
where:
Base-Base interactions energy: -573.782
where: short stacking energy: -246.801
Base-Backbone interact. energy: -1.308
local terms energy: -228.134089
where:
bonds (distance) C4'-P energy: -51.493
bonds (distance) P-C4' energy: -37.932
flat angles C4'-P-C4' energy: -48.353
flat angles P-C4'-P energy: -29.489
tors. eta vs tors. theta energy: -60.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -762.086415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.086415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.086415 (E_RNA)
where:
Base-Base interactions energy: -522.291
where: short stacking energy: -207.840
Base-Backbone interact. energy: -1.417
local terms energy: -238.378370
where:
bonds (distance) C4'-P energy: -38.224
bonds (distance) P-C4' energy: -50.837
flat angles C4'-P-C4' energy: -57.934
flat angles P-C4'-P energy: -41.211
tors. eta vs tors. theta energy: -50.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -734.342909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.342909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.342909 (E_RNA)
where:
Base-Base interactions energy: -488.709
where: short stacking energy: -192.355
Base-Backbone interact. energy: -1.683
local terms energy: -243.951152
where:
bonds (distance) C4'-P energy: -56.943
bonds (distance) P-C4' energy: -51.460
flat angles C4'-P-C4' energy: -53.686
flat angles P-C4'-P energy: -35.586
tors. eta vs tors. theta energy: -46.276
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: 8, replica: 9
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -663.862840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.862840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.862840 (E_RNA)
where:
Base-Base interactions energy: -446.683
where: short stacking energy: -198.654
Base-Backbone interact. energy: -1.213
local terms energy: -215.966329
where:
bonds (distance) C4'-P energy: -25.989
bonds (distance) P-C4' energy: -44.629
flat angles C4'-P-C4' energy: -58.209
flat angles P-C4'-P energy: -39.643
tors. eta vs tors. theta energy: -47.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -696.346408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.346408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.346408 (E_RNA)
where:
Base-Base interactions energy: -458.438
where: short stacking energy: -207.468
Base-Backbone interact. energy: -1.480
local terms energy: -236.428276
where:
bonds (distance) C4'-P energy: -44.898
bonds (distance) P-C4' energy: -51.925
flat angles C4'-P-C4' energy: -53.023
flat angles P-C4'-P energy: -30.949
tors. eta vs tors. theta energy: -55.634
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: 3
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -540.492478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.492478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.492478 (E_RNA)
where:
Base-Base interactions energy: -350.732
where: short stacking energy: -153.657
Base-Backbone interact. energy: -1.735
local terms energy: -188.024681
where:
bonds (distance) C4'-P energy: -40.974
bonds (distance) P-C4' energy: -50.099
flat angles C4'-P-C4' energy: -49.245
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -36.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -959.162118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.162118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.162118 (E_RNA)
where:
Base-Base interactions energy: -671.940
where: short stacking energy: -279.236
Base-Backbone interact. energy: -2.412
local terms energy: -284.809393
where:
bonds (distance) C4'-P energy: -54.216
bonds (distance) P-C4' energy: -60.049
flat angles C4'-P-C4' energy: -54.663
flat angles P-C4'-P energy: -42.653
tors. eta vs tors. theta energy: -73.228
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: 70
Temperature: 0.950000
Total energy: -951.415141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.415141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.415141 (E_RNA)
where:
Base-Base interactions energy: -662.844
where: short stacking energy: -287.809
Base-Backbone interact. energy: -2.000
local terms energy: -286.571555
where:
bonds (distance) C4'-P energy: -56.891
bonds (distance) P-C4' energy: -55.701
flat angles C4'-P-C4' energy: -57.015
flat angles P-C4'-P energy: -32.912
tors. eta vs tors. theta energy: -84.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -924.222286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.222286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.222286 (E_RNA)
where:
Base-Base interactions energy: -643.123
where: short stacking energy: -267.609
Base-Backbone interact. energy: -2.117
local terms energy: -278.981896
where:
bonds (distance) C4'-P energy: -48.019
bonds (distance) P-C4' energy: -47.130
flat angles C4'-P-C4' energy: -56.471
flat angles P-C4'-P energy: -44.257
tors. eta vs tors. theta energy: -83.105
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: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -862.596066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.596066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.596066 (E_RNA)
where:
Base-Base interactions energy: -603.319
where: short stacking energy: -258.173
Base-Backbone interact. energy: -0.228
local terms energy: -259.049315
where:
bonds (distance) C4'-P energy: -48.417
bonds (distance) P-C4' energy: -48.121
flat angles C4'-P-C4' energy: -47.170
flat angles P-C4'-P energy: -42.209
tors. eta vs tors. theta energy: -73.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -813.521839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.521839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.521839 (E_RNA)
where:
Base-Base interactions energy: -570.064
where: short stacking energy: -224.853
Base-Backbone interact. energy: 1.558
local terms energy: -245.015236
where:
bonds (distance) C4'-P energy: -48.437
bonds (distance) P-C4' energy: -40.469
flat angles C4'-P-C4' energy: -57.337
flat angles P-C4'-P energy: -36.606
tors. eta vs tors. theta energy: -62.166
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: 6, replica: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -769.049144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.049144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.049144 (E_RNA)
where:
Base-Base interactions energy: -536.292
where: short stacking energy: -219.775
Base-Backbone interact. energy: -0.961
local terms energy: -231.795929
where:
bonds (distance) C4'-P energy: -41.729
bonds (distance) P-C4' energy: -44.017
flat angles C4'-P-C4' energy: -49.873
flat angles P-C4'-P energy: -38.588
tors. eta vs tors. theta energy: -57.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -753.040706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.040706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.040706 (E_RNA)
where:
Base-Base interactions energy: -527.061
where: short stacking energy: -213.863
Base-Backbone interact. energy: -0.669
local terms energy: -225.310913
where:
bonds (distance) C4'-P energy: -45.236
bonds (distance) P-C4' energy: -47.830
flat angles C4'-P-C4' energy: -48.165
flat angles P-C4'-P energy: -30.556
tors. eta vs tors. theta energy: -53.524
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: 9
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -659.131487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.131487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.131487 (E_RNA)
where:
Base-Base interactions energy: -445.221
where: short stacking energy: -194.164
Base-Backbone interact. energy: -0.650
local terms energy: -213.260552
where:
bonds (distance) C4'-P energy: -46.631
bonds (distance) P-C4' energy: -41.774
flat angles C4'-P-C4' energy: -55.760
flat angles P-C4'-P energy: -27.429
tors. eta vs tors. theta energy: -41.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -667.681409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.681409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.681409 (E_RNA)
where:
Base-Base interactions energy: -460.833
where: short stacking energy: -198.426
Base-Backbone interact. energy: -0.060
local terms energy: -206.788955
where:
bonds (distance) C4'-P energy: -39.044
bonds (distance) P-C4' energy: -32.940
flat angles C4'-P-C4' energy: -50.205
flat angles P-C4'-P energy: -30.037
tors. eta vs tors. theta energy: -54.563
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: 3
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -512.960159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.960159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.960159 (E_RNA)
where:
Base-Base interactions energy: -342.872
where: short stacking energy: -137.725
Base-Backbone interact. energy: 2.997
local terms energy: -173.084862
where:
bonds (distance) C4'-P energy: -28.498
bonds (distance) P-C4' energy: -44.036
flat angles C4'-P-C4' energy: -42.790
flat angles P-C4'-P energy: -29.568
tors. eta vs tors. theta energy: -28.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -971.975632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.975632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.975632 (E_RNA)
where:
Base-Base interactions energy: -679.683
where: short stacking energy: -277.351
Base-Backbone interact. energy: -2.263
local terms energy: -290.030038
where:
bonds (distance) C4'-P energy: -42.576
bonds (distance) P-C4' energy: -58.435
flat angles C4'-P-C4' energy: -63.650
flat angles P-C4'-P energy: -41.809
tors. eta vs tors. theta energy: -83.559
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: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -935.517205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.517205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.517205 (E_RNA)
where:
Base-Base interactions energy: -640.100
where: short stacking energy: -267.863
Base-Backbone interact. energy: -0.732
local terms energy: -294.684743
where:
bonds (distance) C4'-P energy: -52.007
bonds (distance) P-C4' energy: -57.462
flat angles C4'-P-C4' energy: -60.246
flat angles P-C4'-P energy: -43.732
tors. eta vs tors. theta energy: -81.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -884.691210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.691210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.691210 (E_RNA)
where:
Base-Base interactions energy: -593.668
where: short stacking energy: -236.854
Base-Backbone interact. energy: -1.982
local terms energy: -289.041545
where:
bonds (distance) C4'-P energy: -55.611
bonds (distance) P-C4' energy: -61.725
flat angles C4'-P-C4' energy: -55.597
flat angles P-C4'-P energy: -43.192
tors. eta vs tors. theta energy: -72.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -854.587441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.587441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.587441 (E_RNA)
where:
Base-Base interactions energy: -605.838
where: short stacking energy: -244.050
Base-Backbone interact. energy: -1.071
local terms energy: -247.678689
where:
bonds (distance) C4'-P energy: -38.241
bonds (distance) P-C4' energy: -49.720
flat angles C4'-P-C4' energy: -57.684
flat angles P-C4'-P energy: -37.418
tors. eta vs tors. theta energy: -64.615
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: 5, replica: 1
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -811.786492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.786492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.786492 (E_RNA)
where:
Base-Base interactions energy: -559.012
where: short stacking energy: -241.018
Base-Backbone interact. energy: -2.133
local terms energy: -250.641886
where:
bonds (distance) C4'-P energy: -50.486
bonds (distance) P-C4' energy: -54.779
flat angles C4'-P-C4' energy: -49.411
flat angles P-C4'-P energy: -39.491
tors. eta vs tors. theta energy: -56.475
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: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -780.150336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.150336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.150336 (E_RNA)
where:
Base-Base interactions energy: -538.683
where: short stacking energy: -243.419
Base-Backbone interact. energy: -0.295
local terms energy: -241.172341
where:
bonds (distance) C4'-P energy: -35.702
bonds (distance) P-C4' energy: -46.205
flat angles C4'-P-C4' energy: -55.565
flat angles P-C4'-P energy: -38.801
tors. eta vs tors. theta energy: -64.899
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: 5
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -753.399424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.399424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.399424 (E_RNA)
where:
Base-Base interactions energy: -527.089
where: short stacking energy: -227.865
Base-Backbone interact. energy: -2.103
local terms energy: -224.208097
where:
bonds (distance) C4'-P energy: -43.457
bonds (distance) P-C4' energy: -41.882
flat angles C4'-P-C4' energy: -43.832
flat angles P-C4'-P energy: -28.897
tors. eta vs tors. theta energy: -66.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -649.796909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.796909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.796909 (E_RNA)
where:
Base-Base interactions energy: -435.092
where: short stacking energy: -190.535
Base-Backbone interact. energy: 2.144
local terms energy: -216.848670
where:
bonds (distance) C4'-P energy: -49.569
bonds (distance) P-C4' energy: -53.099
flat angles C4'-P-C4' energy: -51.673
flat angles P-C4'-P energy: -21.555
tors. eta vs tors. theta energy: -40.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -599.248857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.248857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.248857 (E_RNA)
where:
Base-Base interactions energy: -397.165
where: short stacking energy: -161.861
Base-Backbone interact. energy: -0.884
local terms energy: -201.199723
where:
bonds (distance) C4'-P energy: -53.979
bonds (distance) P-C4' energy: -40.270
flat angles C4'-P-C4' energy: -46.033
flat angles P-C4'-P energy: -25.364
tors. eta vs tors. theta energy: -35.554
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: 3
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -425.194302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.194302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.194302 (E_RNA)
where:
Base-Base interactions energy: -266.023
where: short stacking energy: -143.301
Base-Backbone interact. energy: -0.334
local terms energy: -158.837265
where:
bonds (distance) C4'-P energy: -35.652
bonds (distance) P-C4' energy: -41.157
flat angles C4'-P-C4' energy: -30.366
flat angles P-C4'-P energy: -21.976
tors. eta vs tors. theta energy: -29.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -961.415782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.415782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.415782 (E_RNA)
where:
Base-Base interactions energy: -667.427
where: short stacking energy: -265.489
Base-Backbone interact. energy: -1.501
local terms energy: -292.487152
where:
bonds (distance) C4'-P energy: -59.006
bonds (distance) P-C4' energy: -53.342
flat angles C4'-P-C4' energy: -61.299
flat angles P-C4'-P energy: -39.419
tors. eta vs tors. theta energy: -79.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -943.087069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.087069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.087069 (E_RNA)
where:
Base-Base interactions energy: -651.641
where: short stacking energy: -269.072
Base-Backbone interact. energy: -1.791
local terms energy: -289.655776
where:
bonds (distance) C4'-P energy: -50.891
bonds (distance) P-C4' energy: -54.815
flat angles C4'-P-C4' energy: -59.653
flat angles P-C4'-P energy: -40.541
tors. eta vs tors. theta energy: -83.756
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: 72
Temperature: 1.000000
Total energy: -898.264509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.264509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.264509 (E_RNA)
where:
Base-Base interactions energy: -620.464
where: short stacking energy: -256.395
Base-Backbone interact. energy: -1.706
local terms energy: -276.095037
where:
bonds (distance) C4'-P energy: -41.517
bonds (distance) P-C4' energy: -53.414
flat angles C4'-P-C4' energy: -59.446
flat angles P-C4'-P energy: -47.099
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: 4, replica: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -842.030240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.030240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.030240 (E_RNA)
where:
Base-Base interactions energy: -586.301
where: short stacking energy: -244.151
Base-Backbone interact. energy: -1.251
local terms energy: -254.477944
where:
bonds (distance) C4'-P energy: -47.423
bonds (distance) P-C4' energy: -46.255
flat angles C4'-P-C4' energy: -55.725
flat angles P-C4'-P energy: -35.687
tors. eta vs tors. theta energy: -69.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -828.486760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.486760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.486760 (E_RNA)
where:
Base-Base interactions energy: -579.475
where: short stacking energy: -239.830
Base-Backbone interact. energy: -1.266
local terms energy: -247.746174
where:
bonds (distance) C4'-P energy: -44.542
bonds (distance) P-C4' energy: -47.455
flat angles C4'-P-C4' energy: -56.492
flat angles P-C4'-P energy: -36.627
tors. eta vs tors. theta energy: -62.630
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: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -763.199909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.199909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.199909 (E_RNA)
where:
Base-Base interactions energy: -534.255
where: short stacking energy: -216.947
Base-Backbone interact. energy: -0.640
local terms energy: -228.305300
where:
bonds (distance) C4'-P energy: -38.138
bonds (distance) P-C4' energy: -51.647
flat angles C4'-P-C4' energy: -52.853
flat angles P-C4'-P energy: -28.361
tors. eta vs tors. theta energy: -57.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -737.256613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.256613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.256613 (E_RNA)
where:
Base-Base interactions energy: -510.683
where: short stacking energy: -207.719
Base-Backbone interact. energy: -2.677
local terms energy: -223.896230
where:
bonds (distance) C4'-P energy: -37.102
bonds (distance) P-C4' energy: -49.080
flat angles C4'-P-C4' energy: -41.741
flat angles P-C4'-P energy: -46.797
tors. eta vs tors. theta energy: -49.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -652.354502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.354502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.354502 (E_RNA)
where:
Base-Base interactions energy: -442.174
where: short stacking energy: -176.787
Base-Backbone interact. energy: -0.516
local terms energy: -209.664137
where:
bonds (distance) C4'-P energy: -47.453
bonds (distance) P-C4' energy: -52.142
flat angles C4'-P-C4' energy: -48.664
flat angles P-C4'-P energy: -22.054
tors. eta vs tors. theta energy: -39.351
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: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -611.066230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.066230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.066230 (E_RNA)
where:
Base-Base interactions energy: -411.291
where: short stacking energy: -174.393
Base-Backbone interact. energy: -1.731
local terms energy: -198.044210
where:
bonds (distance) C4'-P energy: -30.253
bonds (distance) P-C4' energy: -48.836
flat angles C4'-P-C4' energy: -47.443
flat angles P-C4'-P energy: -32.399
tors. eta vs tors. theta energy: -39.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -447.600383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.600383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.600383 (E_RNA)
where:
Base-Base interactions energy: -266.063
where: short stacking energy: -136.357
Base-Backbone interact. energy: -1.114
local terms energy: -180.423261
where:
bonds (distance) C4'-P energy: -45.144
bonds (distance) P-C4' energy: -46.056
flat angles C4'-P-C4' energy: -54.174
flat angles P-C4'-P energy: -17.910
tors. eta vs tors. theta energy: -17.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -958.625082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.625082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.625082 (E_RNA)
where:
Base-Base interactions energy: -667.268
where: short stacking energy: -291.881
Base-Backbone interact. energy: -1.045
local terms energy: -290.311997
where:
bonds (distance) C4'-P energy: -50.299
bonds (distance) P-C4' energy: -55.746
flat angles C4'-P-C4' energy: -62.277
flat angles P-C4'-P energy: -44.143
tors. eta vs tors. theta energy: -77.847
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: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -945.355287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.355287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.355287 (E_RNA)
where:
Base-Base interactions energy: -657.707
where: short stacking energy: -266.884
Base-Backbone interact. energy: -1.695
local terms energy: -285.953407
where:
bonds (distance) C4'-P energy: -48.358
bonds (distance) P-C4' energy: -55.264
flat angles C4'-P-C4' energy: -61.570
flat angles P-C4'-P energy: -38.428
tors. eta vs tors. theta energy: -82.334
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: 6
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -883.025399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.025399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.025399 (E_RNA)
where:
Base-Base interactions energy: -609.599
where: short stacking energy: -257.697
Base-Backbone interact. energy: -0.703
local terms energy: -272.723367
where:
bonds (distance) C4'-P energy: -62.865
bonds (distance) P-C4' energy: -49.995
flat angles C4'-P-C4' energy: -60.557
flat angles P-C4'-P energy: -33.350
tors. eta vs tors. theta energy: -65.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -818.727847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.727847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.727847 (E_RNA)
where:
Base-Base interactions energy: -565.957
where: short stacking energy: -239.394
Base-Backbone interact. energy: -2.633
local terms energy: -250.138291
where:
bonds (distance) C4'-P energy: -46.355
bonds (distance) P-C4' energy: -51.872
flat angles C4'-P-C4' energy: -55.573
flat angles P-C4'-P energy: -36.489
tors. eta vs tors. theta energy: -59.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -815.511458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.511458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.511458 (E_RNA)
where:
Base-Base interactions energy: -579.738
where: short stacking energy: -231.139
Base-Backbone interact. energy: -0.742
local terms energy: -235.031142
where:
bonds (distance) C4'-P energy: -36.660
bonds (distance) P-C4' energy: -38.690
flat angles C4'-P-C4' energy: -54.264
flat angles P-C4'-P energy: -37.281
tors. eta vs tors. theta energy: -68.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -781.051020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.051020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.051020 (E_RNA)
where:
Base-Base interactions energy: -540.498
where: short stacking energy: -221.796
Base-Backbone interact. energy: -1.108
local terms energy: -239.444418
where:
bonds (distance) C4'-P energy: -52.289
bonds (distance) P-C4' energy: -46.979
flat angles C4'-P-C4' energy: -44.886
flat angles P-C4'-P energy: -34.513
tors. eta vs tors. theta energy: -60.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -743.786025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.786025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.786025 (E_RNA)
where:
Base-Base interactions energy: -519.215
where: short stacking energy: -222.881
Base-Backbone interact. energy: -1.892
local terms energy: -222.679235
where:
bonds (distance) C4'-P energy: -43.765
bonds (distance) P-C4' energy: -48.675
flat angles C4'-P-C4' energy: -48.003
flat angles P-C4'-P energy: -33.600
tors. eta vs tors. theta energy: -48.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -674.801235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.801235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.801235 (E_RNA)
where:
Base-Base interactions energy: -457.342
where: short stacking energy: -191.675
Base-Backbone interact. energy: 2.351
local terms energy: -219.810287
where:
bonds (distance) C4'-P energy: -48.769
bonds (distance) P-C4' energy: -57.217
flat angles C4'-P-C4' energy: -49.963
flat angles P-C4'-P energy: -23.082
tors. eta vs tors. theta energy: -40.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -653.022233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.022233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.022233 (E_RNA)
where:
Base-Base interactions energy: -445.368
where: short stacking energy: -192.795
Base-Backbone interact. energy: -0.002
local terms energy: -207.651416
where:
bonds (distance) C4'-P energy: -41.764
bonds (distance) P-C4' energy: -39.445
flat angles C4'-P-C4' energy: -54.259
flat angles P-C4'-P energy: -29.869
tors. eta vs tors. theta energy: -42.315
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: 10, replica: 3
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -461.876982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.876982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.876982 (E_RNA)
where:
Base-Base interactions energy: -283.744
where: short stacking energy: -131.730
Base-Backbone interact. energy: -0.658
local terms energy: -177.475235
where:
bonds (distance) C4'-P energy: -40.646
bonds (distance) P-C4' energy: -51.862
flat angles C4'-P-C4' energy: -38.881
flat angles P-C4'-P energy: -24.662
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: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -962.150150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.150150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.150150 (E_RNA)
where:
Base-Base interactions energy: -674.505
where: short stacking energy: -275.463
Base-Backbone interact. energy: -1.985
local terms energy: -285.659984
where:
bonds (distance) C4'-P energy: -52.814
bonds (distance) P-C4' energy: -56.247
flat angles C4'-P-C4' energy: -58.661
flat angles P-C4'-P energy: -39.062
tors. eta vs tors. theta energy: -78.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -926.428676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.428676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.428676 (E_RNA)
where:
Base-Base interactions energy: -657.434
where: short stacking energy: -253.912
Base-Backbone interact. energy: 1.168
local terms energy: -270.163380
where:
bonds (distance) C4'-P energy: -34.378
bonds (distance) P-C4' energy: -58.760
flat angles C4'-P-C4' energy: -56.566
flat angles P-C4'-P energy: -41.892
tors. eta vs tors. theta energy: -78.567
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: 74
Temperature: 1.000000
Total energy: -910.403891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.403891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.403891 (E_RNA)
where:
Base-Base interactions energy: -639.357
where: short stacking energy: -269.111
Base-Backbone interact. energy: -0.287
local terms energy: -270.759733
where:
bonds (distance) C4'-P energy: -46.848
bonds (distance) P-C4' energy: -48.530
flat angles C4'-P-C4' energy: -62.767
flat angles P-C4'-P energy: -37.666
tors. eta vs tors. theta energy: -74.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -821.997430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.997430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.997430 (E_RNA)
where:
Base-Base interactions energy: -548.444
where: short stacking energy: -236.398
Base-Backbone interact. energy: 0.273
local terms energy: -273.826674
where:
bonds (distance) C4'-P energy: -46.731
bonds (distance) P-C4' energy: -56.922
flat angles C4'-P-C4' energy: -57.179
flat angles P-C4'-P energy: -46.387
tors. eta vs tors. theta energy: -66.608
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: 5
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -794.685113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.685113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.685113 (E_RNA)
where:
Base-Base interactions energy: -544.457
where: short stacking energy: -227.422
Base-Backbone interact. energy: 0.334
local terms energy: -250.561649
where:
bonds (distance) C4'-P energy: -55.492
bonds (distance) P-C4' energy: -40.273
flat angles C4'-P-C4' energy: -56.413
flat angles P-C4'-P energy: -41.806
tors. eta vs tors. theta energy: -56.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -797.267495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.267495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.267495 (E_RNA)
where:
Base-Base interactions energy: -555.116
where: short stacking energy: -221.104
Base-Backbone interact. energy: -1.510
local terms energy: -240.641763
where:
bonds (distance) C4'-P energy: -45.489
bonds (distance) P-C4' energy: -45.159
flat angles C4'-P-C4' energy: -51.599
flat angles P-C4'-P energy: -31.055
tors. eta vs tors. theta energy: -67.338
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: 7, replica: 7
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -753.752504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.752504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.752504 (E_RNA)
where:
Base-Base interactions energy: -504.298
where: short stacking energy: -214.560
Base-Backbone interact. energy: -1.273
local terms energy: -248.181057
where:
bonds (distance) C4'-P energy: -49.591
bonds (distance) P-C4' energy: -46.017
flat angles C4'-P-C4' energy: -54.579
flat angles P-C4'-P energy: -37.489
tors. eta vs tors. theta energy: -60.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -643.746942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.746942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.746942 (E_RNA)
where:
Base-Base interactions energy: -432.494
where: short stacking energy: -173.552
Base-Backbone interact. energy: -0.434
local terms energy: -210.818771
where:
bonds (distance) C4'-P energy: -46.845
bonds (distance) P-C4' energy: -42.470
flat angles C4'-P-C4' energy: -44.260
flat angles P-C4'-P energy: -31.259
tors. eta vs tors. theta energy: -45.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -602.136827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.136827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.136827 (E_RNA)
where:
Base-Base interactions energy: -379.976
where: short stacking energy: -147.602
Base-Backbone interact. energy: -0.162
local terms energy: -221.998842
where:
bonds (distance) C4'-P energy: -50.422
bonds (distance) P-C4' energy: -53.133
flat angles C4'-P-C4' energy: -54.520
flat angles P-C4'-P energy: -30.702
tors. eta vs tors. theta energy: -33.223
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: 3
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -424.235114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.235114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.235114 (E_RNA)
where:
Base-Base interactions energy: -267.381
where: short stacking energy: -127.446
Base-Backbone interact. energy: 2.215
local terms energy: -159.069471
where:
bonds (distance) C4'-P energy: -37.359
bonds (distance) P-C4' energy: -40.096
flat angles C4'-P-C4' energy: -33.106
flat angles P-C4'-P energy: -27.778
tors. eta vs tors. theta energy: -20.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -986.413578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.413578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.413578 (E_RNA)
where:
Base-Base interactions energy: -700.254
where: short stacking energy: -280.170
Base-Backbone interact. energy: 0.066
local terms energy: -286.225104
where:
bonds (distance) C4'-P energy: -55.817
bonds (distance) P-C4' energy: -52.130
flat angles C4'-P-C4' energy: -58.344
flat angles P-C4'-P energy: -39.587
tors. eta vs tors. theta energy: -80.348
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: 2, replica: 6
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -932.869413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.869413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.869413 (E_RNA)
where:
Base-Base interactions energy: -646.041
where: short stacking energy: -256.474
Base-Backbone interact. energy: 0.699
local terms energy: -287.526576
where:
bonds (distance) C4'-P energy: -58.409
bonds (distance) P-C4' energy: -51.615
flat angles C4'-P-C4' energy: -59.238
flat angles P-C4'-P energy: -41.083
tors. eta vs tors. theta energy: -77.182
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: 10
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -919.050638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.050638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.050638 (E_RNA)
where:
Base-Base interactions energy: -660.692
where: short stacking energy: -262.953
Base-Backbone interact. energy: 3.253
local terms energy: -261.611651
where:
bonds (distance) C4'-P energy: -48.304
bonds (distance) P-C4' energy: -44.398
flat angles C4'-P-C4' energy: -53.746
flat angles P-C4'-P energy: -32.164
tors. eta vs tors. theta energy: -83.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -838.803198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.803198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.803198 (E_RNA)
where:
Base-Base interactions energy: -574.471
where: short stacking energy: -241.721
Base-Backbone interact. energy: -1.289
local terms energy: -263.043141
where:
bonds (distance) C4'-P energy: -46.083
bonds (distance) P-C4' energy: -58.416
flat angles C4'-P-C4' energy: -57.022
flat angles P-C4'-P energy: -33.361
tors. eta vs tors. theta energy: -68.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -794.956984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.956984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.956984 (E_RNA)
where:
Base-Base interactions energy: -559.469
where: short stacking energy: -230.238
Base-Backbone interact. energy: -0.342
local terms energy: -235.145861
where:
bonds (distance) C4'-P energy: -42.678
bonds (distance) P-C4' energy: -41.072
flat angles C4'-P-C4' energy: -54.645
flat angles P-C4'-P energy: -36.205
tors. eta vs tors. theta energy: -60.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -823.509593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.509593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.509593 (E_RNA)
where:
Base-Base interactions energy: -578.406
where: short stacking energy: -242.687
Base-Backbone interact. energy: 0.244
local terms energy: -245.347159
where:
bonds (distance) C4'-P energy: -42.086
bonds (distance) P-C4' energy: -49.556
flat angles C4'-P-C4' energy: -41.007
flat angles P-C4'-P energy: -42.574
tors. eta vs tors. theta energy: -70.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -725.967103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.967103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.967103 (E_RNA)
where:
Base-Base interactions energy: -501.244
where: short stacking energy: -212.347
Base-Backbone interact. energy: 3.292
local terms energy: -228.014997
where:
bonds (distance) C4'-P energy: -39.451
bonds (distance) P-C4' energy: -47.891
flat angles C4'-P-C4' energy: -46.758
flat angles P-C4'-P energy: -38.605
tors. eta vs tors. theta energy: -55.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -666.096524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.096524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.096524 (E_RNA)
where:
Base-Base interactions energy: -434.212
where: short stacking energy: -178.369
Base-Backbone interact. energy: -1.260
local terms energy: -230.624319
where:
bonds (distance) C4'-P energy: -43.536
bonds (distance) P-C4' energy: -43.527
flat angles C4'-P-C4' energy: -53.541
flat angles P-C4'-P energy: -34.048
tors. eta vs tors. theta energy: -55.972
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: 75
Temperature: 1.300000
Total energy: -626.634337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.634337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.634337 (E_RNA)
where:
Base-Base interactions energy: -408.948
where: short stacking energy: -182.930
Base-Backbone interact. energy: 0.993
local terms energy: -218.678692
where:
bonds (distance) C4'-P energy: -43.957
bonds (distance) P-C4' energy: -52.041
flat angles C4'-P-C4' energy: -44.642
flat angles P-C4'-P energy: -33.724
tors. eta vs tors. theta energy: -44.315
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: 10, replica: 3
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -351.121958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.121958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.121958 (E_RNA)
where:
Base-Base interactions energy: -177.903
where: short stacking energy: -94.293
Base-Backbone interact. energy: -1.873
local terms energy: -171.345943
where:
bonds (distance) C4'-P energy: -40.660
bonds (distance) P-C4' energy: -45.083
flat angles C4'-P-C4' energy: -34.461
flat angles P-C4'-P energy: -30.761
tors. eta vs tors. theta energy: -20.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -991.997020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.997020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.997020 (E_RNA)
where:
Base-Base interactions energy: -704.630
where: short stacking energy: -280.894
Base-Backbone interact. energy: 1.414
local terms energy: -288.781462
where:
bonds (distance) C4'-P energy: -59.404
bonds (distance) P-C4' energy: -50.655
flat angles C4'-P-C4' energy: -62.236
flat angles P-C4'-P energy: -35.565
tors. eta vs tors. theta energy: -80.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -958.570597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.570597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.570597 (E_RNA)
where:
Base-Base interactions energy: -680.988
where: short stacking energy: -281.805
Base-Backbone interact. energy: -1.410
local terms energy: -276.173361
where:
bonds (distance) C4'-P energy: -55.814
bonds (distance) P-C4' energy: -49.910
flat angles C4'-P-C4' energy: -51.507
flat angles P-C4'-P energy: -37.657
tors. eta vs tors. theta energy: -81.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -912.851594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.851594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.851594 (E_RNA)
where:
Base-Base interactions energy: -659.676
where: short stacking energy: -253.286
Base-Backbone interact. energy: 0.693
local terms energy: -253.868325
where:
bonds (distance) C4'-P energy: -37.885
bonds (distance) P-C4' energy: -54.164
flat angles C4'-P-C4' energy: -51.316
flat angles P-C4'-P energy: -40.714
tors. eta vs tors. theta energy: -69.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -839.700002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.700002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.700002 (E_RNA)
where:
Base-Base interactions energy: -563.267
where: short stacking energy: -240.016
Base-Backbone interact. energy: -1.584
local terms energy: -274.848750
where:
bonds (distance) C4'-P energy: -51.450
bonds (distance) P-C4' energy: -60.945
flat angles C4'-P-C4' energy: -57.790
flat angles P-C4'-P energy: -39.588
tors. eta vs tors. theta energy: -65.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -844.576912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.576912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.576912 (E_RNA)
where:
Base-Base interactions energy: -585.035
where: short stacking energy: -228.812
Base-Backbone interact. energy: 0.270
local terms energy: -259.812563
where:
bonds (distance) C4'-P energy: -51.898
bonds (distance) P-C4' energy: -51.007
flat angles C4'-P-C4' energy: -59.065
flat angles P-C4'-P energy: -37.872
tors. eta vs tors. theta energy: -59.971
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: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -783.734285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.734285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.734285 (E_RNA)
where:
Base-Base interactions energy: -543.101
where: short stacking energy: -215.100
Base-Backbone interact. energy: -1.662
local terms energy: -238.970683
where:
bonds (distance) C4'-P energy: -46.012
bonds (distance) P-C4' energy: -56.843
flat angles C4'-P-C4' energy: -47.243
flat angles P-C4'-P energy: -32.637
tors. eta vs tors. theta energy: -56.236
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: 76
Temperature: 1.200000
Total energy: -684.882473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.882473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.882473 (E_RNA)
where:
Base-Base interactions energy: -469.029
where: short stacking energy: -193.707
Base-Backbone interact. energy: 0.822
local terms energy: -216.675604
where:
bonds (distance) C4'-P energy: -38.585
bonds (distance) P-C4' energy: -53.018
flat angles C4'-P-C4' energy: -52.905
flat angles P-C4'-P energy: -24.198
tors. eta vs tors. theta energy: -47.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -690.478414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.478414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.478414 (E_RNA)
where:
Base-Base interactions energy: -490.177
where: short stacking energy: -200.966
Base-Backbone interact. energy: -1.417
local terms energy: -198.883855
where:
bonds (distance) C4'-P energy: -43.140
bonds (distance) P-C4' energy: -48.677
flat angles C4'-P-C4' energy: -38.624
flat angles P-C4'-P energy: -22.030
tors. eta vs tors. theta energy: -46.413
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: 76
Temperature: 1.300000
Total energy: -638.946193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.946193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.946193 (E_RNA)
where:
Base-Base interactions energy: -440.561
where: short stacking energy: -181.198
Base-Backbone interact. energy: -0.816
local terms energy: -197.568610
where:
bonds (distance) C4'-P energy: -35.419
bonds (distance) P-C4' energy: -43.273
flat angles C4'-P-C4' energy: -43.859
flat angles P-C4'-P energy: -31.832
tors. eta vs tors. theta energy: -43.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -351.049207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.049207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.049207 (E_RNA)
where:
Base-Base interactions energy: -196.964
where: short stacking energy: -106.285
Base-Backbone interact. energy: -0.014
local terms energy: -154.071497
where:
bonds (distance) C4'-P energy: -42.959
bonds (distance) P-C4' energy: -35.154
flat angles C4'-P-C4' energy: -35.506
flat angles P-C4'-P energy: -27.671
tors. eta vs tors. theta energy: -12.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -956.124631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.124631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.124631 (E_RNA)
where:
Base-Base interactions energy: -665.931
where: short stacking energy: -279.036
Base-Backbone interact. energy: -2.452
local terms energy: -287.741884
where:
bonds (distance) C4'-P energy: -54.621
bonds (distance) P-C4' energy: -56.508
flat angles C4'-P-C4' energy: -51.055
flat angles P-C4'-P energy: -46.185
tors. eta vs tors. theta energy: -79.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -938.427335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.427335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.427335 (E_RNA)
where:
Base-Base interactions energy: -647.854
where: short stacking energy: -267.696
Base-Backbone interact. energy: -0.523
local terms energy: -290.049383
where:
bonds (distance) C4'-P energy: -52.095
bonds (distance) P-C4' energy: -55.941
flat angles C4'-P-C4' energy: -64.812
flat angles P-C4'-P energy: -41.799
tors. eta vs tors. theta energy: -75.403
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: 6
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -921.273017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.273017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.273017 (E_RNA)
where:
Base-Base interactions energy: -649.517
where: short stacking energy: -257.154
Base-Backbone interact. energy: -0.526
local terms energy: -271.229733
where:
bonds (distance) C4'-P energy: -44.978
bonds (distance) P-C4' energy: -50.421
flat angles C4'-P-C4' energy: -59.119
flat angles P-C4'-P energy: -44.997
tors. eta vs tors. theta energy: -71.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -834.189179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.189179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.189179 (E_RNA)
where:
Base-Base interactions energy: -576.091
where: short stacking energy: -251.538
Base-Backbone interact. energy: -0.610
local terms energy: -257.488355
where:
bonds (distance) C4'-P energy: -45.576
bonds (distance) P-C4' energy: -58.193
flat angles C4'-P-C4' energy: -53.049
flat angles P-C4'-P energy: -33.427
tors. eta vs tors. theta energy: -67.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -826.099268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.099268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.099268 (E_RNA)
where:
Base-Base interactions energy: -571.910
where: short stacking energy: -223.576
Base-Backbone interact. energy: -2.069
local terms energy: -252.120073
where:
bonds (distance) C4'-P energy: -49.661
bonds (distance) P-C4' energy: -50.355
flat angles C4'-P-C4' energy: -57.816
flat angles P-C4'-P energy: -31.303
tors. eta vs tors. theta energy: -62.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -729.363269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.363269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.363269 (E_RNA)
where:
Base-Base interactions energy: -504.271
where: short stacking energy: -207.113
Base-Backbone interact. energy: 0.853
local terms energy: -225.945034
where:
bonds (distance) C4'-P energy: -45.516
bonds (distance) P-C4' energy: -40.180
flat angles C4'-P-C4' energy: -55.216
flat angles P-C4'-P energy: -36.813
tors. eta vs tors. theta energy: -48.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -736.411217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.411217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.411217 (E_RNA)
where:
Base-Base interactions energy: -506.042
where: short stacking energy: -201.701
Base-Backbone interact. energy: -1.158
local terms energy: -229.211544
where:
bonds (distance) C4'-P energy: -43.959
bonds (distance) P-C4' energy: -47.277
flat angles C4'-P-C4' energy: -52.109
flat angles P-C4'-P energy: -30.799
tors. eta vs tors. theta energy: -55.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -712.787184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.787184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.787184 (E_RNA)
where:
Base-Base interactions energy: -481.736
where: short stacking energy: -185.655
Base-Backbone interact. energy: -0.642
local terms energy: -230.408713
where:
bonds (distance) C4'-P energy: -44.064
bonds (distance) P-C4' energy: -51.619
flat angles C4'-P-C4' energy: -56.217
flat angles P-C4'-P energy: -37.553
tors. eta vs tors. theta energy: -40.957
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: 9, replica: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -626.814814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.814814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.814814 (E_RNA)
where:
Base-Base interactions energy: -426.215
where: short stacking energy: -181.958
Base-Backbone interact. energy: 1.412
local terms energy: -202.011487
where:
bonds (distance) C4'-P energy: -34.732
bonds (distance) P-C4' energy: -47.349
flat angles C4'-P-C4' energy: -45.716
flat angles P-C4'-P energy: -36.958
tors. eta vs tors. theta energy: -37.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -347.087219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.087219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.087219 (E_RNA)
where:
Base-Base interactions energy: -182.014
where: short stacking energy: -93.942
Base-Backbone interact. energy: -1.199
local terms energy: -163.873492
where:
bonds (distance) C4'-P energy: -39.246
bonds (distance) P-C4' energy: -45.324
flat angles C4'-P-C4' energy: -40.152
flat angles P-C4'-P energy: -32.863
tors. eta vs tors. theta energy: -6.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -952.774315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.774315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.774315 (E_RNA)
where:
Base-Base interactions energy: -670.645
where: short stacking energy: -272.983
Base-Backbone interact. energy: 2.022
local terms energy: -284.151144
where:
bonds (distance) C4'-P energy: -48.082
bonds (distance) P-C4' energy: -55.556
flat angles C4'-P-C4' energy: -63.093
flat angles P-C4'-P energy: -41.316
tors. eta vs tors. theta energy: -76.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -940.817250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.817250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.817250 (E_RNA)
where:
Base-Base interactions energy: -669.830
where: short stacking energy: -270.030
Base-Backbone interact. energy: 0.159
local terms energy: -271.145865
where:
bonds (distance) C4'-P energy: -55.270
bonds (distance) P-C4' energy: -48.317
flat angles C4'-P-C4' energy: -54.498
flat angles P-C4'-P energy: -36.615
tors. eta vs tors. theta energy: -76.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -929.991355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.991355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.991355 (E_RNA)
where:
Base-Base interactions energy: -658.863
where: short stacking energy: -261.093
Base-Backbone interact. energy: -0.069
local terms energy: -271.059951
where:
bonds (distance) C4'-P energy: -46.962
bonds (distance) P-C4' energy: -51.684
flat angles C4'-P-C4' energy: -61.668
flat angles P-C4'-P energy: -42.605
tors. eta vs tors. theta energy: -68.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -864.806607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.806607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.806607 (E_RNA)
where:
Base-Base interactions energy: -612.517
where: short stacking energy: -257.016
Base-Backbone interact. energy: -0.351
local terms energy: -251.938875
where:
bonds (distance) C4'-P energy: -42.575
bonds (distance) P-C4' energy: -45.921
flat angles C4'-P-C4' energy: -59.285
flat angles P-C4'-P energy: -36.278
tors. eta vs tors. theta energy: -67.880
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: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -845.304722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.304722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.304722 (E_RNA)
where:
Base-Base interactions energy: -598.682
where: short stacking energy: -237.463
Base-Backbone interact. energy: -0.420
local terms energy: -246.202588
where:
bonds (distance) C4'-P energy: -43.346
bonds (distance) P-C4' energy: -52.238
flat angles C4'-P-C4' energy: -48.309
flat angles P-C4'-P energy: -34.563
tors. eta vs tors. theta energy: -67.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -756.715426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.715426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.715426 (E_RNA)
where:
Base-Base interactions energy: -524.069
where: short stacking energy: -209.558
Base-Backbone interact. energy: 2.213
local terms energy: -234.860168
where:
bonds (distance) C4'-P energy: -41.999
bonds (distance) P-C4' energy: -48.039
flat angles C4'-P-C4' energy: -49.880
flat angles P-C4'-P energy: -38.583
tors. eta vs tors. theta energy: -56.359
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: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -722.512960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.512960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.512960 (E_RNA)
where:
Base-Base interactions energy: -504.024
where: short stacking energy: -197.289
Base-Backbone interact. energy: 0.015
local terms energy: -218.504860
where:
bonds (distance) C4'-P energy: -42.348
bonds (distance) P-C4' energy: -47.406
flat angles C4'-P-C4' energy: -47.637
flat angles P-C4'-P energy: -36.066
tors. eta vs tors. theta energy: -45.048
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: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -731.683871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.683871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.683871 (E_RNA)
where:
Base-Base interactions energy: -494.044
where: short stacking energy: -205.358
Base-Backbone interact. energy: -2.410
local terms energy: -235.230391
where:
bonds (distance) C4'-P energy: -43.747
bonds (distance) P-C4' energy: -46.352
flat angles C4'-P-C4' energy: -55.444
flat angles P-C4'-P energy: -30.895
tors. eta vs tors. theta energy: -58.792
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: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -644.888700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.888700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.888700 (E_RNA)
where:
Base-Base interactions energy: -449.585
where: short stacking energy: -203.213
Base-Backbone interact. energy: -1.605
local terms energy: -193.698857
where:
bonds (distance) C4'-P energy: -31.036
bonds (distance) P-C4' energy: -33.022
flat angles C4'-P-C4' energy: -50.608
flat angles P-C4'-P energy: -31.037
tors. eta vs tors. theta energy: -47.995
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: 3
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -414.972222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.972222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.972222 (E_RNA)
where:
Base-Base interactions energy: -204.900
where: short stacking energy: -128.883
Base-Backbone interact. energy: -0.291
local terms energy: -209.781197
where:
bonds (distance) C4'-P energy: -48.713
bonds (distance) P-C4' energy: -55.853
flat angles C4'-P-C4' energy: -46.029
flat angles P-C4'-P energy: -30.275
tors. eta vs tors. theta energy: -28.911
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: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -974.904062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.904062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.904062 (E_RNA)
where:
Base-Base interactions energy: -679.314
where: short stacking energy: -275.058
Base-Backbone interact. energy: -3.175
local terms energy: -292.414458
where:
bonds (distance) C4'-P energy: -55.722
bonds (distance) P-C4' energy: -54.723
flat angles C4'-P-C4' energy: -57.364
flat angles P-C4'-P energy: -48.499
tors. eta vs tors. theta energy: -76.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -961.621587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.621587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.621587 (E_RNA)
where:
Base-Base interactions energy: -680.589
where: short stacking energy: -280.275
Base-Backbone interact. energy: -1.524
local terms energy: -279.508625
where:
bonds (distance) C4'-P energy: -50.215
bonds (distance) P-C4' energy: -48.384
flat angles C4'-P-C4' energy: -59.839
flat angles P-C4'-P energy: -40.263
tors. eta vs tors. theta energy: -80.808
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: 79
Temperature: 1.000000
Total energy: -917.127302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.127302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.127302 (E_RNA)
where:
Base-Base interactions energy: -637.028
where: short stacking energy: -255.970
Base-Backbone interact. energy: -0.784
local terms energy: -279.315191
where:
bonds (distance) C4'-P energy: -50.736
bonds (distance) P-C4' energy: -52.585
flat angles C4'-P-C4' energy: -57.458
flat angles P-C4'-P energy: -42.792
tors. eta vs tors. theta energy: -75.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -861.917077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.917077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.917077 (E_RNA)
where:
Base-Base interactions energy: -616.748
where: short stacking energy: -230.333
Base-Backbone interact. energy: -2.616
local terms energy: -242.552992
where:
bonds (distance) C4'-P energy: -44.269
bonds (distance) P-C4' energy: -46.028
flat angles C4'-P-C4' energy: -53.159
flat angles P-C4'-P energy: -37.826
tors. eta vs tors. theta energy: -61.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -803.316546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.316546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.316546 (E_RNA)
where:
Base-Base interactions energy: -562.693
where: short stacking energy: -211.728
Base-Backbone interact. energy: -3.543
local terms energy: -237.080280
where:
bonds (distance) C4'-P energy: -37.593
bonds (distance) P-C4' energy: -50.202
flat angles C4'-P-C4' energy: -54.059
flat angles P-C4'-P energy: -39.743
tors. eta vs tors. theta energy: -55.482
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: 7
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -766.687244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.687244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.687244 (E_RNA)
where:
Base-Base interactions energy: -538.996
where: short stacking energy: -212.248
Base-Backbone interact. energy: 0.088
local terms energy: -227.778938
where:
bonds (distance) C4'-P energy: -42.261
bonds (distance) P-C4' energy: -41.610
flat angles C4'-P-C4' energy: -51.085
flat angles P-C4'-P energy: -33.137
tors. eta vs tors. theta energy: -59.687
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: 7, replica: 8
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -728.503671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.503671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.503671 (E_RNA)
where:
Base-Base interactions energy: -489.363
where: short stacking energy: -206.599
Base-Backbone interact. energy: -0.539
local terms energy: -238.602462
where:
bonds (distance) C4'-P energy: -42.618
bonds (distance) P-C4' energy: -52.827
flat angles C4'-P-C4' energy: -47.714
flat angles P-C4'-P energy: -35.230
tors. eta vs tors. theta energy: -60.213
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: 8, replica: 5
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -745.398698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.398698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.398698 (E_RNA)
where:
Base-Base interactions energy: -501.002
where: short stacking energy: -208.856
Base-Backbone interact. energy: -0.759
local terms energy: -243.637916
where:
bonds (distance) C4'-P energy: -46.815
bonds (distance) P-C4' energy: -49.227
flat angles C4'-P-C4' energy: -57.131
flat angles P-C4'-P energy: -38.770
tors. eta vs tors. theta energy: -51.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -647.184325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.184325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.184325 (E_RNA)
where:
Base-Base interactions energy: -452.261
where: short stacking energy: -202.889
Base-Backbone interact. energy: -0.365
local terms energy: -194.557888
where:
bonds (distance) C4'-P energy: -41.838
bonds (distance) P-C4' energy: -42.495
flat angles C4'-P-C4' energy: -43.686
flat angles P-C4'-P energy: -28.918
tors. eta vs tors. theta energy: -37.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -375.578372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.578372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.578372 (E_RNA)
where:
Base-Base interactions energy: -213.292
where: short stacking energy: -89.015
Base-Backbone interact. energy: 2.430
local terms energy: -164.716386
where:
bonds (distance) C4'-P energy: -54.155
bonds (distance) P-C4' energy: -40.054
flat angles C4'-P-C4' energy: -36.847
flat angles P-C4'-P energy: -26.858
tors. eta vs tors. theta energy: -6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -977.761624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.761624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.761624 (E_RNA)
where:
Base-Base interactions energy: -681.665
where: short stacking energy: -288.719
Base-Backbone interact. energy: -0.636
local terms energy: -295.460364
where:
bonds (distance) C4'-P energy: -55.662
bonds (distance) P-C4' energy: -58.302
flat angles C4'-P-C4' energy: -57.014
flat angles P-C4'-P energy: -46.606
tors. eta vs tors. theta energy: -77.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -958.013711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.013711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.013711 (E_RNA)
where:
Base-Base interactions energy: -670.160
where: short stacking energy: -281.090
Base-Backbone interact. energy: -3.016
local terms energy: -284.837646
where:
bonds (distance) C4'-P energy: -51.867
bonds (distance) P-C4' energy: -45.873
flat angles C4'-P-C4' energy: -59.791
flat angles P-C4'-P energy: -45.056
tors. eta vs tors. theta energy: -82.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -913.268704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.268704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.268704 (E_RNA)
where:
Base-Base interactions energy: -642.718
where: short stacking energy: -252.195
Base-Backbone interact. energy: -3.036
local terms energy: -267.514479
where:
bonds (distance) C4'-P energy: -54.977
bonds (distance) P-C4' energy: -46.170
flat angles C4'-P-C4' energy: -55.522
flat angles P-C4'-P energy: -40.631
tors. eta vs tors. theta energy: -70.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -851.597061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.597061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.597061 (E_RNA)
where:
Base-Base interactions energy: -617.661
where: short stacking energy: -232.840
Base-Backbone interact. energy: -0.343
local terms energy: -233.593577
where:
bonds (distance) C4'-P energy: -51.743
bonds (distance) P-C4' energy: -45.597
flat angles C4'-P-C4' energy: -51.161
flat angles P-C4'-P energy: -28.433
tors. eta vs tors. theta energy: -56.660
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: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -812.995272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.995272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.995272 (E_RNA)
where:
Base-Base interactions energy: -566.695
where: short stacking energy: -212.082
Base-Backbone interact. energy: 0.490
local terms energy: -246.789871
where:
bonds (distance) C4'-P energy: -47.121
bonds (distance) P-C4' energy: -49.716
flat angles C4'-P-C4' energy: -51.330
flat angles P-C4'-P energy: -40.103
tors. eta vs tors. theta energy: -58.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -808.376262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.376262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.376262 (E_RNA)
where:
Base-Base interactions energy: -550.030
where: short stacking energy: -223.903
Base-Backbone interact. energy: -1.442
local terms energy: -256.903711
where:
bonds (distance) C4'-P energy: -48.699
bonds (distance) P-C4' energy: -55.884
flat angles C4'-P-C4' energy: -51.196
flat angles P-C4'-P energy: -34.637
tors. eta vs tors. theta energy: -66.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -751.432792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.432792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.432792 (E_RNA)
where:
Base-Base interactions energy: -532.626
where: short stacking energy: -221.705
Base-Backbone interact. energy: -0.453
local terms energy: -218.353656
where:
bonds (distance) C4'-P energy: -44.158
bonds (distance) P-C4' energy: -38.154
flat angles C4'-P-C4' energy: -43.524
flat angles P-C4'-P energy: -37.730
tors. eta vs tors. theta energy: -54.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -735.425321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.425321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.425321 (E_RNA)
where:
Base-Base interactions energy: -495.298
where: short stacking energy: -202.011
Base-Backbone interact. energy: 0.184
local terms energy: -240.310624
where:
bonds (distance) C4'-P energy: -45.649
bonds (distance) P-C4' energy: -50.014
flat angles C4'-P-C4' energy: -54.127
flat angles P-C4'-P energy: -36.407
tors. eta vs tors. theta energy: -54.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -590.721889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.721889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.721889 (E_RNA)
where:
Base-Base interactions energy: -381.125
where: short stacking energy: -155.542
Base-Backbone interact. energy: -1.156
local terms energy: -208.440434
where:
bonds (distance) C4'-P energy: -52.423
bonds (distance) P-C4' energy: -47.274
flat angles C4'-P-C4' energy: -46.384
flat angles P-C4'-P energy: -38.319
tors. eta vs tors. theta energy: -24.041
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: 3
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -413.511436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.511436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.511436 (E_RNA)
where:
Base-Base interactions energy: -246.187
where: short stacking energy: -116.793
Base-Backbone interact. energy: 0.060
local terms energy: -167.384381
where:
bonds (distance) C4'-P energy: -51.549
bonds (distance) P-C4' energy: -35.663
flat angles C4'-P-C4' energy: -39.663
flat angles P-C4'-P energy: -23.530
tors. eta vs tors. theta energy: -16.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -968.503498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.503498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.503498 (E_RNA)
where:
Base-Base interactions energy: -682.871
where: short stacking energy: -283.221
Base-Backbone interact. energy: -2.484
local terms energy: -283.148413
where:
bonds (distance) C4'-P energy: -46.853
bonds (distance) P-C4' energy: -54.248
flat angles C4'-P-C4' energy: -58.504
flat angles P-C4'-P energy: -37.387
tors. eta vs tors. theta energy: -86.157
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: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -946.559577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.559577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.559577 (E_RNA)
where:
Base-Base interactions energy: -667.376
where: short stacking energy: -272.940
Base-Backbone interact. energy: -1.243
local terms energy: -277.941020
where:
bonds (distance) C4'-P energy: -59.242
bonds (distance) P-C4' energy: -46.729
flat angles C4'-P-C4' energy: -56.073
flat angles P-C4'-P energy: -34.564
tors. eta vs tors. theta energy: -81.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -919.983144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.983144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.983144 (E_RNA)
where:
Base-Base interactions energy: -641.919
where: short stacking energy: -258.104
Base-Backbone interact. energy: 1.569
local terms energy: -279.632529
where:
bonds (distance) C4'-P energy: -54.870
bonds (distance) P-C4' energy: -50.413
flat angles C4'-P-C4' energy: -55.804
flat angles P-C4'-P energy: -42.449
tors. eta vs tors. theta energy: -76.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -861.766438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.766438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.766438 (E_RNA)
where:
Base-Base interactions energy: -608.310
where: short stacking energy: -226.935
Base-Backbone interact. energy: -2.577
local terms energy: -250.879268
where:
bonds (distance) C4'-P energy: -47.128
bonds (distance) P-C4' energy: -55.680
flat angles C4'-P-C4' energy: -50.031
flat angles P-C4'-P energy: -31.614
tors. eta vs tors. theta energy: -66.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -804.224183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.224183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.224183 (E_RNA)
where:
Base-Base interactions energy: -549.349
where: short stacking energy: -221.137
Base-Backbone interact. energy: -0.477
local terms energy: -254.398342
where:
bonds (distance) C4'-P energy: -47.117
bonds (distance) P-C4' energy: -54.954
flat angles C4'-P-C4' energy: -53.546
flat angles P-C4'-P energy: -42.798
tors. eta vs tors. theta energy: -55.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -770.225687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.225687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.225687 (E_RNA)
where:
Base-Base interactions energy: -535.697
where: short stacking energy: -223.677
Base-Backbone interact. energy: 1.373
local terms energy: -235.901305
where:
bonds (distance) C4'-P energy: -44.625
bonds (distance) P-C4' energy: -54.043
flat angles C4'-P-C4' energy: -47.247
flat angles P-C4'-P energy: -37.189
tors. eta vs tors. theta energy: -52.797
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: 7, replica: 1
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -790.501730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.501730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.501730 (E_RNA)
where:
Base-Base interactions energy: -550.557
where: short stacking energy: -216.016
Base-Backbone interact. energy: -0.070
local terms energy: -239.874959
where:
bonds (distance) C4'-P energy: -35.136
bonds (distance) P-C4' energy: -51.708
flat angles C4'-P-C4' energy: -53.745
flat angles P-C4'-P energy: -34.972
tors. eta vs tors. theta energy: -64.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -710.977062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.977062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.977062 (E_RNA)
where:
Base-Base interactions energy: -476.266
where: short stacking energy: -203.738
Base-Backbone interact. energy: 0.025
local terms energy: -234.735961
where:
bonds (distance) C4'-P energy: -48.261
bonds (distance) P-C4' energy: -40.709
flat angles C4'-P-C4' energy: -57.663
flat angles P-C4'-P energy: -37.010
tors. eta vs tors. theta energy: -51.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -625.148208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.148208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.148208 (E_RNA)
where:
Base-Base interactions energy: -405.140
where: short stacking energy: -174.763
Base-Backbone interact. energy: -0.053
local terms energy: -219.955203
where:
bonds (distance) C4'-P energy: -44.078
bonds (distance) P-C4' energy: -53.070
flat angles C4'-P-C4' energy: -50.839
flat angles P-C4'-P energy: -31.266
tors. eta vs tors. theta energy: -40.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -348.586631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.586631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.586631 (E_RNA)
where:
Base-Base interactions energy: -186.348
where: short stacking energy: -84.082
Base-Backbone interact. energy: -2.134
local terms energy: -160.105133
where:
bonds (distance) C4'-P energy: -53.546
bonds (distance) P-C4' energy: -52.748
flat angles C4'-P-C4' energy: -39.696
flat angles P-C4'-P energy: -18.738
tors. eta vs tors. theta energy: 4.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -972.576126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.576126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.576126 (E_RNA)
where:
Base-Base interactions energy: -672.932
where: short stacking energy: -279.902
Base-Backbone interact. energy: -1.418
local terms energy: -298.226776
where:
bonds (distance) C4'-P energy: -54.256
bonds (distance) P-C4' energy: -58.654
flat angles C4'-P-C4' energy: -56.929
flat angles P-C4'-P energy: -44.772
tors. eta vs tors. theta energy: -83.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -929.668895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.668895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.668895 (E_RNA)
where:
Base-Base interactions energy: -642.265
where: short stacking energy: -236.980
Base-Backbone interact. energy: -3.722
local terms energy: -283.681948
where:
bonds (distance) C4'-P energy: -58.766
bonds (distance) P-C4' energy: -53.722
flat angles C4'-P-C4' energy: -60.345
flat angles P-C4'-P energy: -41.457
tors. eta vs tors. theta energy: -69.392
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: 3, replica: 6
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -928.965247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.965247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.965247 (E_RNA)
where:
Base-Base interactions energy: -652.031
where: short stacking energy: -257.488
Base-Backbone interact. energy: 0.914
local terms energy: -277.847634
where:
bonds (distance) C4'-P energy: -56.573
bonds (distance) P-C4' energy: -46.723
flat angles C4'-P-C4' energy: -56.001
flat angles P-C4'-P energy: -41.324
tors. eta vs tors. theta energy: -77.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -861.908832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.908832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.908832 (E_RNA)
where:
Base-Base interactions energy: -612.902
where: short stacking energy: -238.980
Base-Backbone interact. energy: -1.069
local terms energy: -247.938617
where:
bonds (distance) C4'-P energy: -51.826
bonds (distance) P-C4' energy: -52.358
flat angles C4'-P-C4' energy: -56.102
flat angles P-C4'-P energy: -36.406
tors. eta vs tors. theta energy: -51.247
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: 7
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -799.766252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.766252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.766252 (E_RNA)
where:
Base-Base interactions energy: -556.933
where: short stacking energy: -227.217
Base-Backbone interact. energy: -1.281
local terms energy: -241.552629
where:
bonds (distance) C4'-P energy: -54.240
bonds (distance) P-C4' energy: -42.819
flat angles C4'-P-C4' energy: -51.655
flat angles P-C4'-P energy: -37.090
tors. eta vs tors. theta energy: -55.747
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: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -757.003242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.003242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.003242 (E_RNA)
where:
Base-Base interactions energy: -547.006
where: short stacking energy: -226.905
Base-Backbone interact. energy: 3.507
local terms energy: -213.504833
where:
bonds (distance) C4'-P energy: -46.356
bonds (distance) P-C4' energy: -48.316
flat angles C4'-P-C4' energy: -37.570
flat angles P-C4'-P energy: -26.836
tors. eta vs tors. theta energy: -54.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -788.163327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.163327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.163327 (E_RNA)
where:
Base-Base interactions energy: -537.859
where: short stacking energy: -228.462
Base-Backbone interact. energy: 1.064
local terms energy: -251.368856
where:
bonds (distance) C4'-P energy: -47.208
bonds (distance) P-C4' energy: -45.654
flat angles C4'-P-C4' energy: -58.669
flat angles P-C4'-P energy: -30.470
tors. eta vs tors. theta energy: -69.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -688.369168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.369168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.369168 (E_RNA)
where:
Base-Base interactions energy: -472.812
where: short stacking energy: -188.546
Base-Backbone interact. energy: -0.174
local terms energy: -215.383475
where:
bonds (distance) C4'-P energy: -42.240
bonds (distance) P-C4' energy: -40.165
flat angles C4'-P-C4' energy: -54.812
flat angles P-C4'-P energy: -28.940
tors. eta vs tors. theta energy: -49.228
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: 82
Temperature: 1.300000
Total energy: -633.547210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.547210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.547210 (E_RNA)
where:
Base-Base interactions energy: -427.372
where: short stacking energy: -169.230
Base-Backbone interact. energy: 0.345
local terms energy: -206.520279
where:
bonds (distance) C4'-P energy: -54.471
bonds (distance) P-C4' energy: -35.351
flat angles C4'-P-C4' energy: -50.586
flat angles P-C4'-P energy: -29.187
tors. eta vs tors. theta energy: -36.925
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: 3
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -339.480246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.480246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.480246 (E_RNA)
where:
Base-Base interactions energy: -198.100
where: short stacking energy: -93.218
Base-Backbone interact. energy: 0.358
local terms energy: -141.738295
where:
bonds (distance) C4'-P energy: -39.659
bonds (distance) P-C4' energy: -41.386
flat angles C4'-P-C4' energy: -41.878
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: -4.468
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: 10
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -974.260986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.260986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.260986 (E_RNA)
where:
Base-Base interactions energy: -672.592
where: short stacking energy: -277.030
Base-Backbone interact. energy: -0.002
local terms energy: -301.666683
where:
bonds (distance) C4'-P energy: -57.019
bonds (distance) P-C4' energy: -63.048
flat angles C4'-P-C4' energy: -59.438
flat angles P-C4'-P energy: -47.407
tors. eta vs tors. theta energy: -74.754
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: 83
Temperature: 0.950000
Total energy: -920.289711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.289711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.289711 (E_RNA)
where:
Base-Base interactions energy: -662.280
where: short stacking energy: -259.699
Base-Backbone interact. energy: 2.430
local terms energy: -260.439962
where:
bonds (distance) C4'-P energy: -47.834
bonds (distance) P-C4' energy: -52.905
flat angles C4'-P-C4' energy: -62.086
flat angles P-C4'-P energy: -31.396
tors. eta vs tors. theta energy: -66.220
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: 6
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -913.031872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.031872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.031872 (E_RNA)
where:
Base-Base interactions energy: -649.609
where: short stacking energy: -250.567
Base-Backbone interact. energy: -1.208
local terms energy: -262.215119
where:
bonds (distance) C4'-P energy: -38.839
bonds (distance) P-C4' energy: -52.108
flat angles C4'-P-C4' energy: -58.030
flat angles P-C4'-P energy: -43.057
tors. eta vs tors. theta energy: -70.181
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: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -849.111715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.111715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.111715 (E_RNA)
where:
Base-Base interactions energy: -592.551
where: short stacking energy: -228.177
Base-Backbone interact. energy: -1.312
local terms energy: -255.248523
where:
bonds (distance) C4'-P energy: -50.791
bonds (distance) P-C4' energy: -45.558
flat angles C4'-P-C4' energy: -54.659
flat angles P-C4'-P energy: -35.738
tors. eta vs tors. theta energy: -68.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -809.999356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.999356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.999356 (E_RNA)
where:
Base-Base interactions energy: -550.169
where: short stacking energy: -239.582
Base-Backbone interact. energy: -0.713
local terms energy: -259.117081
where:
bonds (distance) C4'-P energy: -56.630
bonds (distance) P-C4' energy: -43.621
flat angles C4'-P-C4' energy: -53.611
flat angles P-C4'-P energy: -37.900
tors. eta vs tors. theta energy: -67.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -787.106749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.106749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.106749 (E_RNA)
where:
Base-Base interactions energy: -549.142
where: short stacking energy: -229.828
Base-Backbone interact. energy: -0.351
local terms energy: -237.613794
where:
bonds (distance) C4'-P energy: -53.260
bonds (distance) P-C4' energy: -41.804
flat angles C4'-P-C4' energy: -42.343
flat angles P-C4'-P energy: -42.147
tors. eta vs tors. theta energy: -58.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -746.918572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.918572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.918572 (E_RNA)
where:
Base-Base interactions energy: -516.120
where: short stacking energy: -203.983
Base-Backbone interact. energy: -0.406
local terms energy: -230.392181
where:
bonds (distance) C4'-P energy: -58.851
bonds (distance) P-C4' energy: -50.388
flat angles C4'-P-C4' energy: -45.717
flat angles P-C4'-P energy: -33.340
tors. eta vs tors. theta energy: -42.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -690.767642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.767642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.767642 (E_RNA)
where:
Base-Base interactions energy: -458.932
where: short stacking energy: -188.716
Base-Backbone interact. energy: -1.249
local terms energy: -230.586549
where:
bonds (distance) C4'-P energy: -45.406
bonds (distance) P-C4' energy: -44.836
flat angles C4'-P-C4' energy: -58.341
flat angles P-C4'-P energy: -30.240
tors. eta vs tors. theta energy: -51.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -597.605036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.605036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.605036 (E_RNA)
where:
Base-Base interactions energy: -405.241
where: short stacking energy: -161.991
Base-Backbone interact. energy: 1.882
local terms energy: -194.246158
where:
bonds (distance) C4'-P energy: -42.837
bonds (distance) P-C4' energy: -46.122
flat angles C4'-P-C4' energy: -44.023
flat angles P-C4'-P energy: -23.863
tors. eta vs tors. theta energy: -37.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -369.329523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.329523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.329523 (E_RNA)
where:
Base-Base interactions energy: -202.132
where: short stacking energy: -99.854
Base-Backbone interact. energy: 0.091
local terms energy: -167.289085
where:
bonds (distance) C4'-P energy: -37.041
bonds (distance) P-C4' energy: -45.763
flat angles C4'-P-C4' energy: -42.471
flat angles P-C4'-P energy: -36.169
tors. eta vs tors. theta energy: -5.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -980.644967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.644967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.644967 (E_RNA)
where:
Base-Base interactions energy: -691.127
where: short stacking energy: -257.913
Base-Backbone interact. energy: -0.581
local terms energy: -288.937511
where:
bonds (distance) C4'-P energy: -53.835
bonds (distance) P-C4' energy: -61.694
flat angles C4'-P-C4' energy: -51.829
flat angles P-C4'-P energy: -49.525
tors. eta vs tors. theta energy: -72.055
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: 84
Temperature: 0.950000
Total energy: -923.398297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.398297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.398297 (E_RNA)
where:
Base-Base interactions energy: -656.541
where: short stacking energy: -264.368
Base-Backbone interact. energy: 0.520
local terms energy: -267.377788
where:
bonds (distance) C4'-P energy: -51.908
bonds (distance) P-C4' energy: -49.560
flat angles C4'-P-C4' energy: -56.832
flat angles P-C4'-P energy: -37.124
tors. eta vs tors. theta energy: -71.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -925.415097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.415097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.415097 (E_RNA)
where:
Base-Base interactions energy: -654.204
where: short stacking energy: -267.514
Base-Backbone interact. energy: -1.456
local terms energy: -269.755233
where:
bonds (distance) C4'-P energy: -51.229
bonds (distance) P-C4' energy: -48.036
flat angles C4'-P-C4' energy: -55.366
flat angles P-C4'-P energy: -40.567
tors. eta vs tors. theta energy: -74.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -871.160962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.160962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.160962 (E_RNA)
where:
Base-Base interactions energy: -620.650
where: short stacking energy: -254.687
Base-Backbone interact. energy: 2.255
local terms energy: -252.765471
where:
bonds (distance) C4'-P energy: -34.449
bonds (distance) P-C4' energy: -45.264
flat angles C4'-P-C4' energy: -62.346
flat angles P-C4'-P energy: -41.410
tors. eta vs tors. theta energy: -69.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -841.386587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.386587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.386587 (E_RNA)
where:
Base-Base interactions energy: -583.021
where: short stacking energy: -247.256
Base-Backbone interact. energy: 2.261
local terms energy: -260.626969
where:
bonds (distance) C4'-P energy: -50.135
bonds (distance) P-C4' energy: -45.412
flat angles C4'-P-C4' energy: -58.149
flat angles P-C4'-P energy: -40.020
tors. eta vs tors. theta energy: -66.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -750.720064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.720064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.720064 (E_RNA)
where:
Base-Base interactions energy: -510.717
where: short stacking energy: -215.462
Base-Backbone interact. energy: -1.160
local terms energy: -238.843006
where:
bonds (distance) C4'-P energy: -44.379
bonds (distance) P-C4' energy: -51.136
flat angles C4'-P-C4' energy: -54.652
flat angles P-C4'-P energy: -34.278
tors. eta vs tors. theta energy: -54.399
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: 7, replica: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -742.866233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.866233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.866233 (E_RNA)
where:
Base-Base interactions energy: -516.513
where: short stacking energy: -213.760
Base-Backbone interact. energy: -2.847
local terms energy: -223.506249
where:
bonds (distance) C4'-P energy: -49.350
bonds (distance) P-C4' energy: -42.538
flat angles C4'-P-C4' energy: -48.916
flat angles P-C4'-P energy: -28.897
tors. eta vs tors. theta energy: -53.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -666.827922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.827922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.827922 (E_RNA)
where:
Base-Base interactions energy: -450.514
where: short stacking energy: -192.475
Base-Backbone interact. energy: 0.720
local terms energy: -217.034862
where:
bonds (distance) C4'-P energy: -51.971
bonds (distance) P-C4' energy: -40.541
flat angles C4'-P-C4' energy: -48.556
flat angles P-C4'-P energy: -31.218
tors. eta vs tors. theta energy: -44.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -386.596192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.596192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.596192 (E_RNA)
where:
Base-Base interactions energy: -231.052
where: short stacking energy: -96.213
Base-Backbone interact. energy: -1.129
local terms energy: -154.415685
where:
bonds (distance) C4'-P energy: -39.587
bonds (distance) P-C4' energy: -41.540
flat angles C4'-P-C4' energy: -46.482
flat angles P-C4'-P energy: -29.242
tors. eta vs tors. theta energy: 2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -543.389128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.389128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.389128 (E_RNA)
where:
Base-Base interactions energy: -333.379
where: short stacking energy: -138.185
Base-Backbone interact. energy: -0.494
local terms energy: -209.516453
where:
bonds (distance) C4'-P energy: -45.712
bonds (distance) P-C4' energy: -37.078
flat angles C4'-P-C4' energy: -52.150
flat angles P-C4'-P energy: -31.390
tors. eta vs tors. theta energy: -43.186
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: 10
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -979.762108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.762108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.762108 (E_RNA)
where:
Base-Base interactions energy: -681.662
where: short stacking energy: -272.502
Base-Backbone interact. energy: -0.735
local terms energy: -297.365428
where:
bonds (distance) C4'-P energy: -55.122
bonds (distance) P-C4' energy: -59.149
flat angles C4'-P-C4' energy: -57.142
flat angles P-C4'-P energy: -45.969
tors. eta vs tors. theta energy: -79.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -941.481792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.481792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.481792 (E_RNA)
where:
Base-Base interactions energy: -671.215
where: short stacking energy: -261.943
Base-Backbone interact. energy: -1.358
local terms energy: -268.908362
where:
bonds (distance) C4'-P energy: -44.090
bonds (distance) P-C4' energy: -56.413
flat angles C4'-P-C4' energy: -57.470
flat angles P-C4'-P energy: -31.691
tors. eta vs tors. theta energy: -79.244
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: 4
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -917.191742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.191742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.191742 (E_RNA)
where:
Base-Base interactions energy: -640.761
where: short stacking energy: -249.591
Base-Backbone interact. energy: -1.424
local terms energy: -275.007383
where:
bonds (distance) C4'-P energy: -46.403
bonds (distance) P-C4' energy: -54.691
flat angles C4'-P-C4' energy: -62.220
flat angles P-C4'-P energy: -32.844
tors. eta vs tors. theta energy: -78.850
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: 4, replica: 2
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -868.319632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.319632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.319632 (E_RNA)
where:
Base-Base interactions energy: -629.640
where: short stacking energy: -255.497
Base-Backbone interact. energy: -1.411
local terms energy: -237.269399
where:
bonds (distance) C4'-P energy: -35.396
bonds (distance) P-C4' energy: -48.611
flat angles C4'-P-C4' energy: -50.586
flat angles P-C4'-P energy: -35.418
tors. eta vs tors. theta energy: -67.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -820.256788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.256788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.256788 (E_RNA)
where:
Base-Base interactions energy: -556.566
where: short stacking energy: -236.454
Base-Backbone interact. energy: -1.333
local terms energy: -262.357979
where:
bonds (distance) C4'-P energy: -47.051
bonds (distance) P-C4' energy: -50.883
flat angles C4'-P-C4' energy: -52.834
flat angles P-C4'-P energy: -39.508
tors. eta vs tors. theta energy: -72.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -771.995279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.995279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.995279 (E_RNA)
where:
Base-Base interactions energy: -550.821
where: short stacking energy: -213.301
Base-Backbone interact. energy: 0.216
local terms energy: -221.389576
where:
bonds (distance) C4'-P energy: -47.683
bonds (distance) P-C4' energy: -44.919
flat angles C4'-P-C4' energy: -48.929
flat angles P-C4'-P energy: -24.468
tors. eta vs tors. theta energy: -55.391
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: 85
Temperature: 1.200000
Total energy: -711.973568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.973568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.973568 (E_RNA)
where:
Base-Base interactions energy: -474.318
where: short stacking energy: -191.401
Base-Backbone interact. energy: -0.624
local terms energy: -237.031926
where:
bonds (distance) C4'-P energy: -49.143
bonds (distance) P-C4' energy: -48.374
flat angles C4'-P-C4' energy: -57.482
flat angles P-C4'-P energy: -37.102
tors. eta vs tors. theta energy: -44.931
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: 85
Temperature: 1.250000
Total energy: -638.977732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.977732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.977732 (E_RNA)
where:
Base-Base interactions energy: -450.123
where: short stacking energy: -183.960
Base-Backbone interact. energy: -0.563
local terms energy: -188.292059
where:
bonds (distance) C4'-P energy: -33.267
bonds (distance) P-C4' energy: -41.461
flat angles C4'-P-C4' energy: -46.674
flat angles P-C4'-P energy: -30.852
tors. eta vs tors. theta energy: -36.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -374.812140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.812140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.812140 (E_RNA)
where:
Base-Base interactions energy: -191.929
where: short stacking energy: -104.935
Base-Backbone interact. energy: -0.978
local terms energy: -181.904789
where:
bonds (distance) C4'-P energy: -45.954
bonds (distance) P-C4' energy: -48.574
flat angles C4'-P-C4' energy: -40.550
flat angles P-C4'-P energy: -28.675
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -545.936540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.936540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.936540 (E_RNA)
where:
Base-Base interactions energy: -368.485
where: short stacking energy: -166.048
Base-Backbone interact. energy: 0.385
local terms energy: -177.836823
where:
bonds (distance) C4'-P energy: -35.298
bonds (distance) P-C4' energy: -45.974
flat angles C4'-P-C4' energy: -41.579
flat angles P-C4'-P energy: -22.563
tors. eta vs tors. theta energy: -32.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -975.288379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.288379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.288379 (E_RNA)
where:
Base-Base interactions energy: -674.948
where: short stacking energy: -271.925
Base-Backbone interact. energy: -1.672
local terms energy: -298.668523
where:
bonds (distance) C4'-P energy: -55.259
bonds (distance) P-C4' energy: -56.888
flat angles C4'-P-C4' energy: -64.110
flat angles P-C4'-P energy: -40.545
tors. eta vs tors. theta energy: -81.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -941.128787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.128787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.128787 (E_RNA)
where:
Base-Base interactions energy: -644.747
where: short stacking energy: -260.597
Base-Backbone interact. energy: -1.623
local terms energy: -294.758933
where:
bonds (distance) C4'-P energy: -60.534
bonds (distance) P-C4' energy: -51.748
flat angles C4'-P-C4' energy: -62.040
flat angles P-C4'-P energy: -38.287
tors. eta vs tors. theta energy: -82.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -898.192920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.192920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.192920 (E_RNA)
where:
Base-Base interactions energy: -618.890
where: short stacking energy: -247.743
Base-Backbone interact. energy: -1.361
local terms energy: -277.941884
where:
bonds (distance) C4'-P energy: -52.017
bonds (distance) P-C4' energy: -53.456
flat angles C4'-P-C4' energy: -58.447
flat angles P-C4'-P energy: -42.773
tors. eta vs tors. theta energy: -71.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -854.072983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.072983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.072983 (E_RNA)
where:
Base-Base interactions energy: -610.844
where: short stacking energy: -244.697
Base-Backbone interact. energy: -1.138
local terms energy: -242.090910
where:
bonds (distance) C4'-P energy: -49.227
bonds (distance) P-C4' energy: -40.307
flat angles C4'-P-C4' energy: -61.064
flat angles P-C4'-P energy: -34.351
tors. eta vs tors. theta energy: -57.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -801.946189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.946189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.946189 (E_RNA)
where:
Base-Base interactions energy: -568.808
where: short stacking energy: -235.718
Base-Backbone interact. energy: -0.122
local terms energy: -233.016256
where:
bonds (distance) C4'-P energy: -40.685
bonds (distance) P-C4' energy: -45.307
flat angles C4'-P-C4' energy: -44.659
flat angles P-C4'-P energy: -40.679
tors. eta vs tors. theta energy: -61.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -784.163401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.163401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.163401 (E_RNA)
where:
Base-Base interactions energy: -543.652
where: short stacking energy: -211.906
Base-Backbone interact. energy: -0.002
local terms energy: -240.510221
where:
bonds (distance) C4'-P energy: -44.514
bonds (distance) P-C4' energy: -49.182
flat angles C4'-P-C4' energy: -44.860
flat angles P-C4'-P energy: -40.818
tors. eta vs tors. theta energy: -61.136
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: 7
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -730.943680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.943680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.943680 (E_RNA)
where:
Base-Base interactions energy: -500.006
where: short stacking energy: -224.193
Base-Backbone interact. energy: -2.664
local terms energy: -228.272801
where:
bonds (distance) C4'-P energy: -38.888
bonds (distance) P-C4' energy: -52.028
flat angles C4'-P-C4' energy: -53.634
flat angles P-C4'-P energy: -30.761
tors. eta vs tors. theta energy: -52.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -659.568703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.568703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.568703 (E_RNA)
where:
Base-Base interactions energy: -447.580
where: short stacking energy: -182.852
Base-Backbone interact. energy: -0.438
local terms energy: -211.551259
where:
bonds (distance) C4'-P energy: -45.949
bonds (distance) P-C4' energy: -46.925
flat angles C4'-P-C4' energy: -40.747
flat angles P-C4'-P energy: -42.205
tors. eta vs tors. theta energy: -35.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -597.966751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.966751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.966751 (E_RNA)
where:
Base-Base interactions energy: -407.254
where: short stacking energy: -194.925
Base-Backbone interact. energy: -0.690
local terms energy: -190.023611
where:
bonds (distance) C4'-P energy: -46.026
bonds (distance) P-C4' energy: -45.024
flat angles C4'-P-C4' energy: -31.712
flat angles P-C4'-P energy: -21.325
tors. eta vs tors. theta energy: -45.935
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: 3
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -385.373478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.373478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.373478 (E_RNA)
where:
Base-Base interactions energy: -220.536
where: short stacking energy: -115.235
Base-Backbone interact. energy: -2.015
local terms energy: -162.823375
where:
bonds (distance) C4'-P energy: -37.135
bonds (distance) P-C4' energy: -49.576
flat angles C4'-P-C4' energy: -48.022
flat angles P-C4'-P energy: -11.961
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: 10
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -980.103684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.103684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.103684 (E_RNA)
where:
Base-Base interactions energy: -698.206
where: short stacking energy: -276.718
Base-Backbone interact. energy: -0.630
local terms energy: -281.267479
where:
bonds (distance) C4'-P energy: -55.533
bonds (distance) P-C4' energy: -54.486
flat angles C4'-P-C4' energy: -56.318
flat angles P-C4'-P energy: -39.585
tors. eta vs tors. theta energy: -75.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -945.949433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.949433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.949433 (E_RNA)
where:
Base-Base interactions energy: -665.823
where: short stacking energy: -268.410
Base-Backbone interact. energy: -1.459
local terms energy: -278.667413
where:
bonds (distance) C4'-P energy: -35.651
bonds (distance) P-C4' energy: -53.075
flat angles C4'-P-C4' energy: -62.794
flat angles P-C4'-P energy: -43.191
tors. eta vs tors. theta energy: -83.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -895.189500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.189500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.189500 (E_RNA)
where:
Base-Base interactions energy: -621.090
where: short stacking energy: -249.692
Base-Backbone interact. energy: -1.399
local terms energy: -272.699969
where:
bonds (distance) C4'-P energy: -49.918
bonds (distance) P-C4' energy: -54.148
flat angles C4'-P-C4' energy: -55.183
flat angles P-C4'-P energy: -40.958
tors. eta vs tors. theta energy: -72.493
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: 2
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -827.393455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.393455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.393455 (E_RNA)
where:
Base-Base interactions energy: -583.254
where: short stacking energy: -230.158
Base-Backbone interact. energy: -0.774
local terms energy: -243.365285
where:
bonds (distance) C4'-P energy: -48.792
bonds (distance) P-C4' energy: -48.591
flat angles C4'-P-C4' energy: -48.294
flat angles P-C4'-P energy: -40.262
tors. eta vs tors. theta energy: -57.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -796.347908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.347908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.347908 (E_RNA)
where:
Base-Base interactions energy: -544.339
where: short stacking energy: -231.557
Base-Backbone interact. energy: 1.854
local terms energy: -253.862529
where:
bonds (distance) C4'-P energy: -48.668
bonds (distance) P-C4' energy: -55.703
flat angles C4'-P-C4' energy: -54.395
flat angles P-C4'-P energy: -38.842
tors. eta vs tors. theta energy: -56.255
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: 5
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -753.430860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.430860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.430860 (E_RNA)
where:
Base-Base interactions energy: -516.223
where: short stacking energy: -214.325
Base-Backbone interact. energy: -2.570
local terms energy: -234.637803
where:
bonds (distance) C4'-P energy: -39.701
bonds (distance) P-C4' energy: -52.713
flat angles C4'-P-C4' energy: -59.019
flat angles P-C4'-P energy: -32.199
tors. eta vs tors. theta energy: -51.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -699.787371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.787371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.787371 (E_RNA)
where:
Base-Base interactions energy: -479.974
where: short stacking energy: -190.030
Base-Backbone interact. energy: 0.074
local terms energy: -219.887393
where:
bonds (distance) C4'-P energy: -44.683
bonds (distance) P-C4' energy: -54.652
flat angles C4'-P-C4' energy: -46.584
flat angles P-C4'-P energy: -30.212
tors. eta vs tors. theta energy: -43.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -672.288407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.288407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.288407 (E_RNA)
where:
Base-Base interactions energy: -467.082
where: short stacking energy: -197.510
Base-Backbone interact. energy: -0.117
local terms energy: -205.088988
where:
bonds (distance) C4'-P energy: -35.702
bonds (distance) P-C4' energy: -35.711
flat angles C4'-P-C4' energy: -53.000
flat angles P-C4'-P energy: -30.273
tors. eta vs tors. theta energy: -50.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -595.219032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.219032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.219032 (E_RNA)
where:
Base-Base interactions energy: -415.749
where: short stacking energy: -173.737
Base-Backbone interact. energy: 1.472
local terms energy: -180.941483
where:
bonds (distance) C4'-P energy: -43.486
bonds (distance) P-C4' energy: -38.891
flat angles C4'-P-C4' energy: -43.404
flat angles P-C4'-P energy: -22.772
tors. eta vs tors. theta energy: -32.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -361.629042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.629042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.629042 (E_RNA)
where:
Base-Base interactions energy: -194.273
where: short stacking energy: -109.519
Base-Backbone interact. energy: -0.620
local terms energy: -166.736128
where:
bonds (distance) C4'-P energy: -42.152
bonds (distance) P-C4' energy: -38.495
flat angles C4'-P-C4' energy: -45.809
flat angles P-C4'-P energy: -23.809
tors. eta vs tors. theta energy: -16.471
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: 10
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -979.042480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.042480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.042480 (E_RNA)
where:
Base-Base interactions energy: -693.130
where: short stacking energy: -278.657
Base-Backbone interact. energy: -1.934
local terms energy: -283.978163
where:
bonds (distance) C4'-P energy: -52.640
bonds (distance) P-C4' energy: -51.560
flat angles C4'-P-C4' energy: -57.973
flat angles P-C4'-P energy: -40.578
tors. eta vs tors. theta energy: -81.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -930.670568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.670568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.670568 (E_RNA)
where:
Base-Base interactions energy: -650.056
where: short stacking energy: -263.370
Base-Backbone interact. energy: -2.076
local terms energy: -278.539383
where:
bonds (distance) C4'-P energy: -51.976
bonds (distance) P-C4' energy: -57.223
flat angles C4'-P-C4' energy: -60.564
flat angles P-C4'-P energy: -32.911
tors. eta vs tors. theta energy: -75.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -931.291318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.291318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.291318 (E_RNA)
where:
Base-Base interactions energy: -641.004
where: short stacking energy: -261.768
Base-Backbone interact. energy: -3.536
local terms energy: -286.751751
where:
bonds (distance) C4'-P energy: -56.279
bonds (distance) P-C4' energy: -49.127
flat angles C4'-P-C4' energy: -59.328
flat angles P-C4'-P energy: -41.488
tors. eta vs tors. theta energy: -80.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -822.433958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.433958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.433958 (E_RNA)
where:
Base-Base interactions energy: -576.733
where: short stacking energy: -219.651
Base-Backbone interact. energy: -1.596
local terms energy: -244.105686
where:
bonds (distance) C4'-P energy: -46.762
bonds (distance) P-C4' energy: -47.132
flat angles C4'-P-C4' energy: -53.943
flat angles P-C4'-P energy: -37.354
tors. eta vs tors. theta energy: -58.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -789.235597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.235597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.235597 (E_RNA)
where:
Base-Base interactions energy: -545.352
where: short stacking energy: -232.760
Base-Backbone interact. energy: -1.254
local terms energy: -242.628930
where:
bonds (distance) C4'-P energy: -44.619
bonds (distance) P-C4' energy: -40.787
flat angles C4'-P-C4' energy: -57.667
flat angles P-C4'-P energy: -40.211
tors. eta vs tors. theta energy: -59.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -743.962528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.962528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.962528 (E_RNA)
where:
Base-Base interactions energy: -523.664
where: short stacking energy: -205.793
Base-Backbone interact. energy: 4.164
local terms energy: -224.462212
where:
bonds (distance) C4'-P energy: -45.014
bonds (distance) P-C4' energy: -43.359
flat angles C4'-P-C4' energy: -58.405
flat angles P-C4'-P energy: -30.589
tors. eta vs tors. theta energy: -47.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -732.451562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.451562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.451562 (E_RNA)
where:
Base-Base interactions energy: -513.773
where: short stacking energy: -212.631
Base-Backbone interact. energy: -1.542
local terms energy: -217.136372
where:
bonds (distance) C4'-P energy: -35.663
bonds (distance) P-C4' energy: -47.445
flat angles C4'-P-C4' energy: -47.678
flat angles P-C4'-P energy: -34.122
tors. eta vs tors. theta energy: -52.228
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: 88
Temperature: 1.250000
Total energy: -708.691278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.691278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.691278 (E_RNA)
where:
Base-Base interactions energy: -489.032
where: short stacking energy: -186.183
Base-Backbone interact. energy: -1.944
local terms energy: -217.715332
where:
bonds (distance) C4'-P energy: -51.164
bonds (distance) P-C4' energy: -48.750
flat angles C4'-P-C4' energy: -44.771
flat angles P-C4'-P energy: -27.452
tors. eta vs tors. theta energy: -45.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -575.164272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.164272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.164272 (E_RNA)
where:
Base-Base interactions energy: -393.667
where: short stacking energy: -163.301
Base-Backbone interact. energy: 1.813
local terms energy: -183.310216
where:
bonds (distance) C4'-P energy: -45.158
bonds (distance) P-C4' energy: -33.341
flat angles C4'-P-C4' energy: -47.492
flat angles P-C4'-P energy: -25.370
tors. eta vs tors. theta energy: -31.950
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: 10, replica: 3
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -363.905911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.905911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.905911 (E_RNA)
where:
Base-Base interactions energy: -212.313
where: short stacking energy: -103.578
Base-Backbone interact. energy: 4.286
local terms energy: -155.878211
where:
bonds (distance) C4'-P energy: -33.276
bonds (distance) P-C4' energy: -40.199
flat angles C4'-P-C4' energy: -41.669
flat angles P-C4'-P energy: -28.547
tors. eta vs tors. theta energy: -12.186
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: 10
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -971.656267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.656267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.656267 (E_RNA)
where:
Base-Base interactions energy: -670.088
where: short stacking energy: -280.280
Base-Backbone interact. energy: -0.423
local terms energy: -301.144689
where:
bonds (distance) C4'-P energy: -59.667
bonds (distance) P-C4' energy: -59.747
flat angles C4'-P-C4' energy: -58.384
flat angles P-C4'-P energy: -41.305
tors. eta vs tors. theta energy: -82.041
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: 89
Temperature: 0.950000
Total energy: -927.013263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.013263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.013263 (E_RNA)
where:
Base-Base interactions energy: -653.581
where: short stacking energy: -273.002
Base-Backbone interact. energy: 0.489
local terms energy: -273.920865
where:
bonds (distance) C4'-P energy: -44.665
bonds (distance) P-C4' energy: -52.702
flat angles C4'-P-C4' energy: -60.149
flat angles P-C4'-P energy: -36.759
tors. eta vs tors. theta energy: -79.647
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: 6
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -915.038616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.038616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.038616 (E_RNA)
where:
Base-Base interactions energy: -631.983
where: short stacking energy: -261.986
Base-Backbone interact. energy: -2.290
local terms energy: -280.766132
where:
bonds (distance) C4'-P energy: -59.320
bonds (distance) P-C4' energy: -48.442
flat angles C4'-P-C4' energy: -53.113
flat angles P-C4'-P energy: -34.832
tors. eta vs tors. theta energy: -85.059
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: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -814.696988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.696988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.696988 (E_RNA)
where:
Base-Base interactions energy: -570.527
where: short stacking energy: -230.603
Base-Backbone interact. energy: 0.837
local terms energy: -245.006951
where:
bonds (distance) C4'-P energy: -39.982
bonds (distance) P-C4' energy: -57.021
flat angles C4'-P-C4' energy: -52.221
flat angles P-C4'-P energy: -33.896
tors. eta vs tors. theta energy: -61.887
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: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -832.470031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.470031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.470031 (E_RNA)
where:
Base-Base interactions energy: -582.139
where: short stacking energy: -235.444
Base-Backbone interact. energy: -2.527
local terms energy: -247.804118
where:
bonds (distance) C4'-P energy: -50.687
bonds (distance) P-C4' energy: -46.141
flat angles C4'-P-C4' energy: -53.224
flat angles P-C4'-P energy: -31.436
tors. eta vs tors. theta energy: -66.316
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: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -694.246665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.246665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.246665 (E_RNA)
where:
Base-Base interactions energy: -471.267
where: short stacking energy: -203.112
Base-Backbone interact. energy: 0.452
local terms energy: -223.431454
where:
bonds (distance) C4'-P energy: -44.322
bonds (distance) P-C4' energy: -52.662
flat angles C4'-P-C4' energy: -49.576
flat angles P-C4'-P energy: -24.583
tors. eta vs tors. theta energy: -52.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -735.545596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.545596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.545596 (E_RNA)
where:
Base-Base interactions energy: -527.664
where: short stacking energy: -220.577
Base-Backbone interact. energy: 0.297
local terms energy: -208.178726
where:
bonds (distance) C4'-P energy: -45.785
bonds (distance) P-C4' energy: -41.835
flat angles C4'-P-C4' energy: -42.461
flat angles P-C4'-P energy: -24.723
tors. eta vs tors. theta energy: -53.374
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: 8, replica: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -675.654017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.654017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.654017 (E_RNA)
where:
Base-Base interactions energy: -445.709
where: short stacking energy: -168.893
Base-Backbone interact. energy: -2.023
local terms energy: -227.922693
where:
bonds (distance) C4'-P energy: -48.910
bonds (distance) P-C4' energy: -48.508
flat angles C4'-P-C4' energy: -49.572
flat angles P-C4'-P energy: -42.673
tors. eta vs tors. theta energy: -38.260
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: 89
Temperature: 1.300000
Total energy: -590.321064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.321064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.321064 (E_RNA)
where:
Base-Base interactions energy: -392.488
where: short stacking energy: -159.290
Base-Backbone interact. energy: 2.213
local terms energy: -200.045485
where:
bonds (distance) C4'-P energy: -43.772
bonds (distance) P-C4' energy: -52.562
flat angles C4'-P-C4' energy: -46.994
flat angles P-C4'-P energy: -25.251
tors. eta vs tors. theta energy: -31.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -386.879098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.879098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.879098 (E_RNA)
where:
Base-Base interactions energy: -200.065
where: short stacking energy: -117.120
Base-Backbone interact. energy: -1.006
local terms energy: -185.807169
where:
bonds (distance) C4'-P energy: -47.080
bonds (distance) P-C4' energy: -57.903
flat angles C4'-P-C4' energy: -39.464
flat angles P-C4'-P energy: -29.154
tors. eta vs tors. theta energy: -12.207
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: 4
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -970.211813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.211813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.211813 (E_RNA)
where:
Base-Base interactions energy: -666.907
where: short stacking energy: -269.811
Base-Backbone interact. energy: -0.716
local terms energy: -302.589086
where:
bonds (distance) C4'-P energy: -57.049
bonds (distance) P-C4' energy: -58.273
flat angles C4'-P-C4' energy: -62.457
flat angles P-C4'-P energy: -45.928
tors. eta vs tors. theta energy: -78.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -950.430869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.430869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.430869 (E_RNA)
where:
Base-Base interactions energy: -659.849
where: short stacking energy: -272.198
Base-Backbone interact. energy: -1.746
local terms energy: -288.835200
where:
bonds (distance) C4'-P energy: -51.808
bonds (distance) P-C4' energy: -55.021
flat angles C4'-P-C4' energy: -62.739
flat angles P-C4'-P energy: -35.814
tors. eta vs tors. theta energy: -83.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -904.098037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.098037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.098037 (E_RNA)
where:
Base-Base interactions energy: -624.468
where: short stacking energy: -255.906
Base-Backbone interact. energy: -0.395
local terms energy: -279.234702
where:
bonds (distance) C4'-P energy: -50.716
bonds (distance) P-C4' energy: -58.811
flat angles C4'-P-C4' energy: -51.700
flat angles P-C4'-P energy: -44.309
tors. eta vs tors. theta energy: -73.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -828.328351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.328351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.328351 (E_RNA)
where:
Base-Base interactions energy: -564.929
where: short stacking energy: -230.695
Base-Backbone interact. energy: -2.520
local terms energy: -260.879902
where:
bonds (distance) C4'-P energy: -47.552
bonds (distance) P-C4' energy: -51.570
flat angles C4'-P-C4' energy: -59.090
flat angles P-C4'-P energy: -40.184
tors. eta vs tors. theta energy: -62.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -822.659373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.659373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.659373 (E_RNA)
where:
Base-Base interactions energy: -567.755
where: short stacking energy: -216.494
Base-Backbone interact. energy: -1.309
local terms energy: -253.595548
where:
bonds (distance) C4'-P energy: -47.146
bonds (distance) P-C4' energy: -52.826
flat angles C4'-P-C4' energy: -57.804
flat angles P-C4'-P energy: -31.604
tors. eta vs tors. theta energy: -64.216
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: 6, replica: 8
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -737.181331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.181331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.181331 (E_RNA)
where:
Base-Base interactions energy: -498.337
where: short stacking energy: -206.006
Base-Backbone interact. energy: -0.286
local terms energy: -238.558363
where:
bonds (distance) C4'-P energy: -40.626
bonds (distance) P-C4' energy: -51.577
flat angles C4'-P-C4' energy: -53.485
flat angles P-C4'-P energy: -30.977
tors. eta vs tors. theta energy: -61.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -748.945849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.945849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.945849 (E_RNA)
where:
Base-Base interactions energy: -528.164
where: short stacking energy: -215.535
Base-Backbone interact. energy: -1.058
local terms energy: -219.723548
where:
bonds (distance) C4'-P energy: -45.647
bonds (distance) P-C4' energy: -39.356
flat angles C4'-P-C4' energy: -52.114
flat angles P-C4'-P energy: -28.098
tors. eta vs tors. theta energy: -54.509
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: 90
Temperature: 1.250000
Total energy: -724.694206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.694206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.694206 (E_RNA)
where:
Base-Base interactions energy: -509.426
where: short stacking energy: -198.042
Base-Backbone interact. energy: -1.110
local terms energy: -214.157594
where:
bonds (distance) C4'-P energy: -31.932
bonds (distance) P-C4' energy: -50.049
flat angles C4'-P-C4' energy: -57.897
flat angles P-C4'-P energy: -31.748
tors. eta vs tors. theta energy: -42.532
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: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -608.730946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.730946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.730946 (E_RNA)
where:
Base-Base interactions energy: -414.265
where: short stacking energy: -179.933
Base-Backbone interact. energy: -0.796
local terms energy: -193.670724
where:
bonds (distance) C4'-P energy: -45.861
bonds (distance) P-C4' energy: -39.212
flat angles C4'-P-C4' energy: -42.371
flat angles P-C4'-P energy: -28.331
tors. eta vs tors. theta energy: -37.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -380.442578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.442578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.442578 (E_RNA)
where:
Base-Base interactions energy: -202.233
where: short stacking energy: -101.769
Base-Backbone interact. energy: 0.132
local terms energy: -178.341835
where:
bonds (distance) C4'-P energy: -52.980
bonds (distance) P-C4' energy: -44.831
flat angles C4'-P-C4' energy: -41.161
flat angles P-C4'-P energy: -24.898
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -967.802154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.802154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.802154 (E_RNA)
where:
Base-Base interactions energy: -670.240
where: short stacking energy: -273.260
Base-Backbone interact. energy: -0.991
local terms energy: -296.571602
where:
bonds (distance) C4'-P energy: -53.754
bonds (distance) P-C4' energy: -50.409
flat angles C4'-P-C4' energy: -61.621
flat angles P-C4'-P energy: -51.624
tors. eta vs tors. theta energy: -79.164
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: 10
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -951.293754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.293754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.293754 (E_RNA)
where:
Base-Base interactions energy: -669.903
where: short stacking energy: -263.514
Base-Backbone interact. energy: -0.665
local terms energy: -280.725575
where:
bonds (distance) C4'-P energy: -45.488
bonds (distance) P-C4' energy: -60.705
flat angles C4'-P-C4' energy: -55.190
flat angles P-C4'-P energy: -39.057
tors. eta vs tors. theta energy: -80.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -935.920029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.920029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.920029 (E_RNA)
where:
Base-Base interactions energy: -650.841
where: short stacking energy: -262.264
Base-Backbone interact. energy: -0.795
local terms energy: -284.284070
where:
bonds (distance) C4'-P energy: -63.709
bonds (distance) P-C4' energy: -47.212
flat angles C4'-P-C4' energy: -54.305
flat angles P-C4'-P energy: -44.015
tors. eta vs tors. theta energy: -75.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -826.652349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.652349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.652349 (E_RNA)
where:
Base-Base interactions energy: -568.934
where: short stacking energy: -233.725
Base-Backbone interact. energy: -1.425
local terms energy: -256.293438
where:
bonds (distance) C4'-P energy: -49.209
bonds (distance) P-C4' energy: -51.698
flat angles C4'-P-C4' energy: -52.939
flat angles P-C4'-P energy: -37.154
tors. eta vs tors. theta energy: -65.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -795.814170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.814170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.814170 (E_RNA)
where:
Base-Base interactions energy: -574.478
where: short stacking energy: -219.362
Base-Backbone interact. energy: -2.017
local terms energy: -219.318962
where:
bonds (distance) C4'-P energy: -46.808
bonds (distance) P-C4' energy: -35.492
flat angles C4'-P-C4' energy: -48.185
flat angles P-C4'-P energy: -38.444
tors. eta vs tors. theta energy: -50.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -753.240879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.240879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.240879 (E_RNA)
where:
Base-Base interactions energy: -518.762
where: short stacking energy: -200.177
Base-Backbone interact. energy: -1.046
local terms energy: -233.432815
where:
bonds (distance) C4'-P energy: -41.399
bonds (distance) P-C4' energy: -54.618
flat angles C4'-P-C4' energy: -51.373
flat angles P-C4'-P energy: -32.777
tors. eta vs tors. theta energy: -53.266
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: 91
Temperature: 1.200000
Total energy: -714.683202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.683202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.683202 (E_RNA)
where:
Base-Base interactions energy: -484.102
where: short stacking energy: -207.342
Base-Backbone interact. energy: -0.952
local terms energy: -229.628482
where:
bonds (distance) C4'-P energy: -44.501
bonds (distance) P-C4' energy: -45.104
flat angles C4'-P-C4' energy: -54.819
flat angles P-C4'-P energy: -30.968
tors. eta vs tors. theta energy: -54.237
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: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -693.323215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.323215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.323215 (E_RNA)
where:
Base-Base interactions energy: -485.666
where: short stacking energy: -190.122
Base-Backbone interact. energy: 0.211
local terms energy: -207.867493
where:
bonds (distance) C4'-P energy: -45.767
bonds (distance) P-C4' energy: -40.385
flat angles C4'-P-C4' energy: -53.078
flat angles P-C4'-P energy: -27.482
tors. eta vs tors. theta energy: -41.155
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: 91
Temperature: 1.300000
Total energy: -630.977669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.977669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.977669 (E_RNA)
where:
Base-Base interactions energy: -423.654
where: short stacking energy: -191.783
Base-Backbone interact. energy: 5.287
local terms energy: -212.610964
where:
bonds (distance) C4'-P energy: -48.996
bonds (distance) P-C4' energy: -36.837
flat angles C4'-P-C4' energy: -40.406
flat angles P-C4'-P energy: -40.893
tors. eta vs tors. theta energy: -45.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -400.825182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.825182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.825182 (E_RNA)
where:
Base-Base interactions energy: -244.273
where: short stacking energy: -138.055
Base-Backbone interact. energy: -1.431
local terms energy: -155.120962
where:
bonds (distance) C4'-P energy: -33.855
bonds (distance) P-C4' energy: -33.275
flat angles C4'-P-C4' energy: -46.986
flat angles P-C4'-P energy: -21.826
tors. eta vs tors. theta energy: -19.179
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: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -983.865935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.865935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.865935 (E_RNA)
where:
Base-Base interactions energy: -678.521
where: short stacking energy: -268.684
Base-Backbone interact. energy: -4.358
local terms energy: -300.987350
where:
bonds (distance) C4'-P energy: -58.266
bonds (distance) P-C4' energy: -54.221
flat angles C4'-P-C4' energy: -61.922
flat angles P-C4'-P energy: -41.282
tors. eta vs tors. theta energy: -85.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -950.467606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.467606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.467606 (E_RNA)
where:
Base-Base interactions energy: -677.292
where: short stacking energy: -289.875
Base-Backbone interact. energy: -1.171
local terms energy: -272.004634
where:
bonds (distance) C4'-P energy: -58.435
bonds (distance) P-C4' energy: -41.920
flat angles C4'-P-C4' energy: -59.458
flat angles P-C4'-P energy: -31.770
tors. eta vs tors. theta energy: -80.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -931.531630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.531630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.531630 (E_RNA)
where:
Base-Base interactions energy: -644.267
where: short stacking energy: -255.087
Base-Backbone interact. energy: -1.345
local terms energy: -285.920360
where:
bonds (distance) C4'-P energy: -49.670
bonds (distance) P-C4' energy: -52.733
flat angles C4'-P-C4' energy: -58.416
flat angles P-C4'-P energy: -46.143
tors. eta vs tors. theta energy: -78.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -837.994002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.994002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.994002 (E_RNA)
where:
Base-Base interactions energy: -574.971
where: short stacking energy: -223.631
Base-Backbone interact. energy: -0.615
local terms energy: -262.407503
where:
bonds (distance) C4'-P energy: -53.933
bonds (distance) P-C4' energy: -53.504
flat angles C4'-P-C4' energy: -58.623
flat angles P-C4'-P energy: -34.906
tors. eta vs tors. theta energy: -61.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -785.220409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.220409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.220409 (E_RNA)
where:
Base-Base interactions energy: -543.323
where: short stacking energy: -218.544
Base-Backbone interact. energy: -2.095
local terms energy: -239.802186
where:
bonds (distance) C4'-P energy: -39.146
bonds (distance) P-C4' energy: -51.685
flat angles C4'-P-C4' energy: -60.244
flat angles P-C4'-P energy: -30.973
tors. eta vs tors. theta energy: -57.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -780.505492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.505492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.505492 (E_RNA)
where:
Base-Base interactions energy: -541.618
where: short stacking energy: -215.394
Base-Backbone interact. energy: -0.839
local terms energy: -238.047959
where:
bonds (distance) C4'-P energy: -45.893
bonds (distance) P-C4' energy: -44.132
flat angles C4'-P-C4' energy: -58.523
flat angles P-C4'-P energy: -36.899
tors. eta vs tors. theta energy: -52.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -710.264040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.264040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.264040 (E_RNA)
where:
Base-Base interactions energy: -490.884
where: short stacking energy: -200.177
Base-Backbone interact. energy: -1.139
local terms energy: -218.241565
where:
bonds (distance) C4'-P energy: -47.067
bonds (distance) P-C4' energy: -44.373
flat angles C4'-P-C4' energy: -44.631
flat angles P-C4'-P energy: -41.681
tors. eta vs tors. theta energy: -40.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -720.011785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.011785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.011785 (E_RNA)
where:
Base-Base interactions energy: -494.208
where: short stacking energy: -216.253
Base-Backbone interact. energy: 0.243
local terms energy: -226.046434
where:
bonds (distance) C4'-P energy: -44.976
bonds (distance) P-C4' energy: -43.727
flat angles C4'-P-C4' energy: -48.005
flat angles P-C4'-P energy: -34.662
tors. eta vs tors. theta energy: -54.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -601.458062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.458062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.458062 (E_RNA)
where:
Base-Base interactions energy: -417.425
where: short stacking energy: -171.813
Base-Backbone interact. energy: 2.333
local terms energy: -186.365941
where:
bonds (distance) C4'-P energy: -41.894
bonds (distance) P-C4' energy: -45.199
flat angles C4'-P-C4' energy: -40.304
flat angles P-C4'-P energy: -22.483
tors. eta vs tors. theta energy: -36.486
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: 10, replica: 3
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -393.611498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.611498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.611498 (E_RNA)
where:
Base-Base interactions energy: -217.230
where: short stacking energy: -111.177
Base-Backbone interact. energy: -1.119
local terms energy: -175.261549
where:
bonds (distance) C4'-P energy: -51.979
bonds (distance) P-C4' energy: -43.322
flat angles C4'-P-C4' energy: -42.938
flat angles P-C4'-P energy: -24.273
tors. eta vs tors. theta energy: -12.749
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: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -974.092166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.092166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.092166 (E_RNA)
where:
Base-Base interactions energy: -669.002
where: short stacking energy: -280.205
Base-Backbone interact. energy: -4.419
local terms energy: -300.671535
where:
bonds (distance) C4'-P energy: -55.240
bonds (distance) P-C4' energy: -51.805
flat angles C4'-P-C4' energy: -65.390
flat angles P-C4'-P energy: -39.136
tors. eta vs tors. theta energy: -89.101
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: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -957.318367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.318367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.318367 (E_RNA)
where:
Base-Base interactions energy: -664.180
where: short stacking energy: -264.288
Base-Backbone interact. energy: -2.126
local terms energy: -291.013055
where:
bonds (distance) C4'-P energy: -51.371
bonds (distance) P-C4' energy: -53.009
flat angles C4'-P-C4' energy: -62.895
flat angles P-C4'-P energy: -40.967
tors. eta vs tors. theta energy: -82.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -922.552009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.552009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.552009 (E_RNA)
where:
Base-Base interactions energy: -634.202
where: short stacking energy: -266.302
Base-Backbone interact. energy: -1.196
local terms energy: -287.153752
where:
bonds (distance) C4'-P energy: -58.895
bonds (distance) P-C4' energy: -42.863
flat angles C4'-P-C4' energy: -64.776
flat angles P-C4'-P energy: -40.041
tors. eta vs tors. theta energy: -80.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -848.367085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.367085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.367085 (E_RNA)
where:
Base-Base interactions energy: -603.611
where: short stacking energy: -241.426
Base-Backbone interact. energy: -1.247
local terms energy: -243.508937
where:
bonds (distance) C4'-P energy: -43.229
bonds (distance) P-C4' energy: -49.939
flat angles C4'-P-C4' energy: -50.061
flat angles P-C4'-P energy: -35.422
tors. eta vs tors. theta energy: -64.859
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: 5, replica: 5
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -778.292347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.292347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.292347 (E_RNA)
where:
Base-Base interactions energy: -531.963
where: short stacking energy: -201.640
Base-Backbone interact. energy: -0.806
local terms energy: -245.523457
where:
bonds (distance) C4'-P energy: -54.790
bonds (distance) P-C4' energy: -50.939
flat angles C4'-P-C4' energy: -50.209
flat angles P-C4'-P energy: -40.239
tors. eta vs tors. theta energy: -49.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -783.799992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.799992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.799992 (E_RNA)
where:
Base-Base interactions energy: -550.582
where: short stacking energy: -231.349
Base-Backbone interact. energy: -0.534
local terms energy: -232.684269
where:
bonds (distance) C4'-P energy: -48.603
bonds (distance) P-C4' energy: -48.033
flat angles C4'-P-C4' energy: -43.984
flat angles P-C4'-P energy: -33.180
tors. eta vs tors. theta energy: -58.884
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: 7
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -742.105940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.105940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.105940 (E_RNA)
where:
Base-Base interactions energy: -513.564
where: short stacking energy: -197.740
Base-Backbone interact. energy: 1.363
local terms energy: -229.904851
where:
bonds (distance) C4'-P energy: -55.514
bonds (distance) P-C4' energy: -55.538
flat angles C4'-P-C4' energy: -39.142
flat angles P-C4'-P energy: -31.340
tors. eta vs tors. theta energy: -48.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -699.388442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.388442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.388442 (E_RNA)
where:
Base-Base interactions energy: -468.100
where: short stacking energy: -206.655
Base-Backbone interact. energy: 0.489
local terms energy: -231.777929
where:
bonds (distance) C4'-P energy: -47.336
bonds (distance) P-C4' energy: -55.240
flat angles C4'-P-C4' energy: -51.300
flat angles P-C4'-P energy: -27.225
tors. eta vs tors. theta energy: -50.678
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: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -624.820656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.820656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.820656 (E_RNA)
where:
Base-Base interactions energy: -414.433
where: short stacking energy: -176.583
Base-Backbone interact. energy: -1.378
local terms energy: -209.010517
where:
bonds (distance) C4'-P energy: -44.138
bonds (distance) P-C4' energy: -46.563
flat angles C4'-P-C4' energy: -45.879
flat angles P-C4'-P energy: -38.170
tors. eta vs tors. theta energy: -34.261
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: 10, replica: 3
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -395.988564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.988564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.988564 (E_RNA)
where:
Base-Base interactions energy: -233.298
where: short stacking energy: -109.264
Base-Backbone interact. energy: -1.214
local terms energy: -161.475807
where:
bonds (distance) C4'-P energy: -41.742
bonds (distance) P-C4' energy: -29.994
flat angles C4'-P-C4' energy: -47.886
flat angles P-C4'-P energy: -25.687
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -980.969284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.969284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.969284 (E_RNA)
where:
Base-Base interactions energy: -692.603
where: short stacking energy: -283.883
Base-Backbone interact. energy: -3.608
local terms energy: -284.757942
where:
bonds (distance) C4'-P energy: -45.626
bonds (distance) P-C4' energy: -50.824
flat angles C4'-P-C4' energy: -63.131
flat angles P-C4'-P energy: -40.181
tors. eta vs tors. theta energy: -84.995
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: 6
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -950.260398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.260398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.260398 (E_RNA)
where:
Base-Base interactions energy: -666.270
where: short stacking energy: -274.159
Base-Backbone interact. energy: 1.100
local terms energy: -285.089877
where:
bonds (distance) C4'-P energy: -51.621
bonds (distance) P-C4' energy: -61.089
flat angles C4'-P-C4' energy: -56.407
flat angles P-C4'-P energy: -38.749
tors. eta vs tors. theta energy: -77.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -950.858089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.858089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.858089 (E_RNA)
where:
Base-Base interactions energy: -657.950
where: short stacking energy: -255.383
Base-Backbone interact. energy: -0.656
local terms energy: -292.252096
where:
bonds (distance) C4'-P energy: -57.706
bonds (distance) P-C4' energy: -59.990
flat angles C4'-P-C4' energy: -53.360
flat angles P-C4'-P energy: -44.983
tors. eta vs tors. theta energy: -76.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -861.078116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.078116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.078116 (E_RNA)
where:
Base-Base interactions energy: -589.939
where: short stacking energy: -238.359
Base-Backbone interact. energy: -0.545
local terms energy: -270.594845
where:
bonds (distance) C4'-P energy: -54.279
bonds (distance) P-C4' energy: -54.779
flat angles C4'-P-C4' energy: -58.675
flat angles P-C4'-P energy: -35.682
tors. eta vs tors. theta energy: -67.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -781.946594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.946594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.946594 (E_RNA)
where:
Base-Base interactions energy: -518.148
where: short stacking energy: -225.677
Base-Backbone interact. energy: -1.631
local terms energy: -262.167547
where:
bonds (distance) C4'-P energy: -58.833
bonds (distance) P-C4' energy: -55.798
flat angles C4'-P-C4' energy: -50.211
flat angles P-C4'-P energy: -39.980
tors. eta vs tors. theta energy: -57.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -773.365927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.365927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.365927 (E_RNA)
where:
Base-Base interactions energy: -553.500
where: short stacking energy: -227.498
Base-Backbone interact. energy: -1.845
local terms energy: -218.021114
where:
bonds (distance) C4'-P energy: -46.949
bonds (distance) P-C4' energy: -26.462
flat angles C4'-P-C4' energy: -52.275
flat angles P-C4'-P energy: -34.097
tors. eta vs tors. theta energy: -58.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -732.684216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.684216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.684216 (E_RNA)
where:
Base-Base interactions energy: -503.831
where: short stacking energy: -203.323
Base-Backbone interact. energy: -0.768
local terms energy: -228.085119
where:
bonds (distance) C4'-P energy: -36.401
bonds (distance) P-C4' energy: -57.270
flat angles C4'-P-C4' energy: -44.798
flat angles P-C4'-P energy: -39.003
tors. eta vs tors. theta energy: -50.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -686.086153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.086153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.086153 (E_RNA)
where:
Base-Base interactions energy: -474.662
where: short stacking energy: -204.637
Base-Backbone interact. energy: -1.270
local terms energy: -210.153690
where:
bonds (distance) C4'-P energy: -41.309
bonds (distance) P-C4' energy: -44.208
flat angles C4'-P-C4' energy: -44.754
flat angles P-C4'-P energy: -30.081
tors. eta vs tors. theta energy: -49.802
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: 94
Temperature: 1.300000
Total energy: -628.549443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.549443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.549443 (E_RNA)
where:
Base-Base interactions energy: -423.290
where: short stacking energy: -184.311
Base-Backbone interact. energy: -0.659
local terms energy: -204.601118
where:
bonds (distance) C4'-P energy: -32.196
bonds (distance) P-C4' energy: -46.457
flat angles C4'-P-C4' energy: -42.115
flat angles P-C4'-P energy: -34.403
tors. eta vs tors. theta energy: -49.430
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: 3
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -424.318651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.318651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.318651 (E_RNA)
where:
Base-Base interactions energy: -264.381
where: short stacking energy: -141.365
Base-Backbone interact. energy: -0.589
local terms energy: -159.348624
where:
bonds (distance) C4'-P energy: -45.559
bonds (distance) P-C4' energy: -45.719
flat angles C4'-P-C4' energy: -33.639
flat angles P-C4'-P energy: -17.877
tors. eta vs tors. theta energy: -16.555
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: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -973.173986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.173986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.173986 (E_RNA)
where:
Base-Base interactions energy: -669.569
where: short stacking energy: -279.394
Base-Backbone interact. energy: -1.834
local terms energy: -301.770544
where:
bonds (distance) C4'-P energy: -56.241
bonds (distance) P-C4' energy: -54.532
flat angles C4'-P-C4' energy: -62.995
flat angles P-C4'-P energy: -44.033
tors. eta vs tors. theta energy: -83.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -951.517118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.517118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.517118 (E_RNA)
where:
Base-Base interactions energy: -666.270
where: short stacking energy: -271.276
Base-Backbone interact. energy: -3.083
local terms energy: -282.164762
where:
bonds (distance) C4'-P energy: -60.256
bonds (distance) P-C4' energy: -41.054
flat angles C4'-P-C4' energy: -56.155
flat angles P-C4'-P energy: -38.686
tors. eta vs tors. theta energy: -86.014
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: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -926.559207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.559207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.559207 (E_RNA)
where:
Base-Base interactions energy: -646.406
where: short stacking energy: -260.192
Base-Backbone interact. energy: -1.154
local terms energy: -278.999296
where:
bonds (distance) C4'-P energy: -47.989
bonds (distance) P-C4' energy: -52.277
flat angles C4'-P-C4' energy: -56.780
flat angles P-C4'-P energy: -48.074
tors. eta vs tors. theta energy: -73.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -889.286779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.286779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.286779 (E_RNA)
where:
Base-Base interactions energy: -606.342
where: short stacking energy: -246.417
Base-Backbone interact. energy: -2.417
local terms energy: -280.527178
where:
bonds (distance) C4'-P energy: -40.648
bonds (distance) P-C4' energy: -55.607
flat angles C4'-P-C4' energy: -59.471
flat angles P-C4'-P energy: -48.579
tors. eta vs tors. theta energy: -76.223
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: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -811.636726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.636726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.636726 (E_RNA)
where:
Base-Base interactions energy: -545.792
where: short stacking energy: -237.048
Base-Backbone interact. energy: 0.281
local terms energy: -266.125214
where:
bonds (distance) C4'-P energy: -49.849
bonds (distance) P-C4' energy: -47.395
flat angles C4'-P-C4' energy: -62.810
flat angles P-C4'-P energy: -41.921
tors. eta vs tors. theta energy: -64.151
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: 6, replica: 7
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -780.682218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.682218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.682218 (E_RNA)
where:
Base-Base interactions energy: -536.623
where: short stacking energy: -219.652
Base-Backbone interact. energy: -2.194
local terms energy: -241.864333
where:
bonds (distance) C4'-P energy: -56.523
bonds (distance) P-C4' energy: -43.733
flat angles C4'-P-C4' energy: -56.302
flat angles P-C4'-P energy: -40.315
tors. eta vs tors. theta energy: -44.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -722.365361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.365361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.365361 (E_RNA)
where:
Base-Base interactions energy: -499.606
where: short stacking energy: -202.826
Base-Backbone interact. energy: -1.534
local terms energy: -221.225625
where:
bonds (distance) C4'-P energy: -45.888
bonds (distance) P-C4' energy: -51.308
flat angles C4'-P-C4' energy: -41.607
flat angles P-C4'-P energy: -34.066
tors. eta vs tors. theta energy: -48.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -721.427317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.427317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.427317 (E_RNA)
where:
Base-Base interactions energy: -490.316
where: short stacking energy: -208.312
Base-Backbone interact. energy: -1.531
local terms energy: -229.579449
where:
bonds (distance) C4'-P energy: -43.709
bonds (distance) P-C4' energy: -50.692
flat angles C4'-P-C4' energy: -54.153
flat angles P-C4'-P energy: -31.504
tors. eta vs tors. theta energy: -49.521
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: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -604.736160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.736160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.736160 (E_RNA)
where:
Base-Base interactions energy: -412.117
where: short stacking energy: -173.771
Base-Backbone interact. energy: -0.539
local terms energy: -192.079781
where:
bonds (distance) C4'-P energy: -37.293
bonds (distance) P-C4' energy: -44.279
flat angles C4'-P-C4' energy: -46.445
flat angles P-C4'-P energy: -29.399
tors. eta vs tors. theta energy: -34.664
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: 3
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -398.761617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.761617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.761617 (E_RNA)
where:
Base-Base interactions energy: -258.365
where: short stacking energy: -149.181
Base-Backbone interact. energy: 4.632
local terms energy: -145.028713
where:
bonds (distance) C4'-P energy: -42.926
bonds (distance) P-C4' energy: -35.831
flat angles C4'-P-C4' energy: -30.922
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -23.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -967.974039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.974039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.974039 (E_RNA)
where:
Base-Base interactions energy: -697.198
where: short stacking energy: -282.617
Base-Backbone interact. energy: -2.422
local terms energy: -268.353365
where:
bonds (distance) C4'-P energy: -31.882
bonds (distance) P-C4' energy: -56.479
flat angles C4'-P-C4' energy: -58.826
flat angles P-C4'-P energy: -36.865
tors. eta vs tors. theta energy: -84.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -956.453700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.453700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.453700 (E_RNA)
where:
Base-Base interactions energy: -656.676
where: short stacking energy: -275.378
Base-Backbone interact. energy: -0.242
local terms energy: -299.536032
where:
bonds (distance) C4'-P energy: -51.572
bonds (distance) P-C4' energy: -56.523
flat angles C4'-P-C4' energy: -61.224
flat angles P-C4'-P energy: -41.495
tors. eta vs tors. theta energy: -88.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -943.177334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.177334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.177334 (E_RNA)
where:
Base-Base interactions energy: -666.934
where: short stacking energy: -277.571
Base-Backbone interact. energy: -1.391
local terms energy: -274.852829
where:
bonds (distance) C4'-P energy: -49.735
bonds (distance) P-C4' energy: -53.277
flat angles C4'-P-C4' energy: -58.942
flat angles P-C4'-P energy: -33.675
tors. eta vs tors. theta energy: -79.223
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: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -865.421342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.421342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.421342 (E_RNA)
where:
Base-Base interactions energy: -611.468
where: short stacking energy: -235.839
Base-Backbone interact. energy: 0.954
local terms energy: -254.907667
where:
bonds (distance) C4'-P energy: -48.094
bonds (distance) P-C4' energy: -51.868
flat angles C4'-P-C4' energy: -47.882
flat angles P-C4'-P energy: -38.303
tors. eta vs tors. theta energy: -68.761
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: 1
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -806.286150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.286150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.286150 (E_RNA)
where:
Base-Base interactions energy: -555.429
where: short stacking energy: -221.947
Base-Backbone interact. energy: -1.861
local terms energy: -248.995508
where:
bonds (distance) C4'-P energy: -51.435
bonds (distance) P-C4' energy: -54.164
flat angles C4'-P-C4' energy: -57.444
flat angles P-C4'-P energy: -34.484
tors. eta vs tors. theta energy: -51.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -750.889706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.889706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.889706 (E_RNA)
where:
Base-Base interactions energy: -508.974
where: short stacking energy: -212.705
Base-Backbone interact. energy: -2.343
local terms energy: -239.573327
where:
bonds (distance) C4'-P energy: -49.898
bonds (distance) P-C4' energy: -49.417
flat angles C4'-P-C4' energy: -51.927
flat angles P-C4'-P energy: -37.530
tors. eta vs tors. theta energy: -50.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -724.097351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.097351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.097351 (E_RNA)
where:
Base-Base interactions energy: -485.864
where: short stacking energy: -204.726
Base-Backbone interact. energy: 2.120
local terms energy: -240.353876
where:
bonds (distance) C4'-P energy: -43.988
bonds (distance) P-C4' energy: -56.312
flat angles C4'-P-C4' energy: -56.171
flat angles P-C4'-P energy: -33.617
tors. eta vs tors. theta energy: -50.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -697.190932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.190932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.190932 (E_RNA)
where:
Base-Base interactions energy: -489.755
where: short stacking energy: -187.505
Base-Backbone interact. energy: 2.402
local terms energy: -209.837875
where:
bonds (distance) C4'-P energy: -29.251
bonds (distance) P-C4' energy: -47.378
flat angles C4'-P-C4' energy: -42.525
flat angles P-C4'-P energy: -41.404
tors. eta vs tors. theta energy: -49.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -614.189821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.189821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.189821 (E_RNA)
where:
Base-Base interactions energy: -421.108
where: short stacking energy: -171.389
Base-Backbone interact. energy: -0.345
local terms energy: -192.736501
where:
bonds (distance) C4'-P energy: -45.906
bonds (distance) P-C4' energy: -43.525
flat angles C4'-P-C4' energy: -43.768
flat angles P-C4'-P energy: -26.473
tors. eta vs tors. theta energy: -33.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -407.559286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.559286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.559286 (E_RNA)
where:
Base-Base interactions energy: -239.409
where: short stacking energy: -119.312
Base-Backbone interact. energy: -0.656
local terms energy: -167.495202
where:
bonds (distance) C4'-P energy: -45.996
bonds (distance) P-C4' energy: -41.744
flat angles C4'-P-C4' energy: -38.807
flat angles P-C4'-P energy: -22.370
tors. eta vs tors. theta energy: -18.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -981.302768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.302768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.302768 (E_RNA)
where:
Base-Base interactions energy: -682.899
where: short stacking energy: -282.378
Base-Backbone interact. energy: 2.340
local terms energy: -300.743964
where:
bonds (distance) C4'-P energy: -53.493
bonds (distance) P-C4' energy: -55.863
flat angles C4'-P-C4' energy: -62.412
flat angles P-C4'-P energy: -46.451
tors. eta vs tors. theta energy: -82.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -950.992103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.992103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.992103 (E_RNA)
where:
Base-Base interactions energy: -676.401
where: short stacking energy: -273.989
Base-Backbone interact. energy: 0.774
local terms energy: -275.365481
where:
bonds (distance) C4'-P energy: -52.415
bonds (distance) P-C4' energy: -53.736
flat angles C4'-P-C4' energy: -52.988
flat angles P-C4'-P energy: -40.656
tors. eta vs tors. theta energy: -75.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -942.100589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.100589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.100589 (E_RNA)
where:
Base-Base interactions energy: -647.078
where: short stacking energy: -257.895
Base-Backbone interact. energy: -1.060
local terms energy: -293.962779
where:
bonds (distance) C4'-P energy: -52.926
bonds (distance) P-C4' energy: -52.183
flat angles C4'-P-C4' energy: -62.755
flat angles P-C4'-P energy: -45.360
tors. eta vs tors. theta energy: -80.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -801.576449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.576449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.576449 (E_RNA)
where:
Base-Base interactions energy: -569.220
where: short stacking energy: -228.924
Base-Backbone interact. energy: -0.100
local terms energy: -232.257016
where:
bonds (distance) C4'-P energy: -40.654
bonds (distance) P-C4' energy: -48.776
flat angles C4'-P-C4' energy: -45.355
flat angles P-C4'-P energy: -41.612
tors. eta vs tors. theta energy: -55.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -858.982759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.982759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.982759 (E_RNA)
where:
Base-Base interactions energy: -600.421
where: short stacking energy: -234.180
Base-Backbone interact. energy: 0.221
local terms energy: -258.782750
where:
bonds (distance) C4'-P energy: -53.903
bonds (distance) P-C4' energy: -54.141
flat angles C4'-P-C4' energy: -51.902
flat angles P-C4'-P energy: -34.349
tors. eta vs tors. theta energy: -64.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -759.021193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.021193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.021193 (E_RNA)
where:
Base-Base interactions energy: -528.319
where: short stacking energy: -208.153
Base-Backbone interact. energy: -0.878
local terms energy: -229.824030
where:
bonds (distance) C4'-P energy: -35.359
bonds (distance) P-C4' energy: -44.972
flat angles C4'-P-C4' energy: -54.186
flat angles P-C4'-P energy: -39.834
tors. eta vs tors. theta energy: -55.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -769.881164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.881164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.881164 (E_RNA)
where:
Base-Base interactions energy: -529.499
where: short stacking energy: -201.094
Base-Backbone interact. energy: -2.229
local terms energy: -238.153392
where:
bonds (distance) C4'-P energy: -46.093
bonds (distance) P-C4' energy: -53.514
flat angles C4'-P-C4' energy: -53.128
flat angles P-C4'-P energy: -31.307
tors. eta vs tors. theta energy: -54.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -690.896029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.896029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.896029 (E_RNA)
where:
Base-Base interactions energy: -479.026
where: short stacking energy: -191.905
Base-Backbone interact. energy: -0.281
local terms energy: -211.588339
where:
bonds (distance) C4'-P energy: -39.763
bonds (distance) P-C4' energy: -40.175
flat angles C4'-P-C4' energy: -60.008
flat angles P-C4'-P energy: -26.497
tors. eta vs tors. theta energy: -45.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -656.616463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.616463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.616463 (E_RNA)
where:
Base-Base interactions energy: -438.138
where: short stacking energy: -181.902
Base-Backbone interact. energy: -3.008
local terms energy: -215.469754
where:
bonds (distance) C4'-P energy: -43.754
bonds (distance) P-C4' energy: -48.712
flat angles C4'-P-C4' energy: -51.749
flat angles P-C4'-P energy: -27.586
tors. eta vs tors. theta energy: -43.669
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: 3
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -415.919323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.919323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.919323 (E_RNA)
where:
Base-Base interactions energy: -248.635
where: short stacking energy: -132.252
Base-Backbone interact. energy: -0.727
local terms energy: -166.557024
where:
bonds (distance) C4'-P energy: -36.295
bonds (distance) P-C4' energy: -50.433
flat angles C4'-P-C4' energy: -42.508
flat angles P-C4'-P energy: -25.721
tors. eta vs tors. theta energy: -11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -948.638707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.638707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.638707 (E_RNA)
where:
Base-Base interactions energy: -665.214
where: short stacking energy: -271.803
Base-Backbone interact. energy: -2.479
local terms energy: -280.945929
where:
bonds (distance) C4'-P energy: -44.390
bonds (distance) P-C4' energy: -55.370
flat angles C4'-P-C4' energy: -60.731
flat angles P-C4'-P energy: -40.317
tors. eta vs tors. theta energy: -80.138
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: 10
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -937.919483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.919483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.919483 (E_RNA)
where:
Base-Base interactions energy: -659.593
where: short stacking energy: -270.573
Base-Backbone interact. energy: -2.450
local terms energy: -275.876213
where:
bonds (distance) C4'-P energy: -49.336
bonds (distance) P-C4' energy: -49.148
flat angles C4'-P-C4' energy: -60.428
flat angles P-C4'-P energy: -42.012
tors. eta vs tors. theta energy: -74.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -921.501865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.501865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.501865 (E_RNA)
where:
Base-Base interactions energy: -625.025
where: short stacking energy: -256.058
Base-Backbone interact. energy: -0.709
local terms energy: -295.767201
where:
bonds (distance) C4'-P energy: -59.898
bonds (distance) P-C4' energy: -47.869
flat angles C4'-P-C4' energy: -57.837
flat angles P-C4'-P energy: -48.285
tors. eta vs tors. theta energy: -81.879
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: 1
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -818.370381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.370381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.370381 (E_RNA)
where:
Base-Base interactions energy: -576.206
where: short stacking energy: -245.114
Base-Backbone interact. energy: -1.113
local terms energy: -241.051750
where:
bonds (distance) C4'-P energy: -56.880
bonds (distance) P-C4' energy: -36.851
flat angles C4'-P-C4' energy: -51.026
flat angles P-C4'-P energy: -30.146
tors. eta vs tors. theta energy: -66.150
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: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -852.925798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.925798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.925798 (E_RNA)
where:
Base-Base interactions energy: -574.853
where: short stacking energy: -243.795
Base-Backbone interact. energy: -2.542
local terms energy: -275.530891
where:
bonds (distance) C4'-P energy: -48.025
bonds (distance) P-C4' energy: -57.874
flat angles C4'-P-C4' energy: -63.723
flat angles P-C4'-P energy: -40.337
tors. eta vs tors. theta energy: -65.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -737.555186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.555186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.555186 (E_RNA)
where:
Base-Base interactions energy: -503.994
where: short stacking energy: -223.524
Base-Backbone interact. energy: 0.688
local terms energy: -234.249826
where:
bonds (distance) C4'-P energy: -37.197
bonds (distance) P-C4' energy: -53.122
flat angles C4'-P-C4' energy: -53.579
flat angles P-C4'-P energy: -34.963
tors. eta vs tors. theta energy: -55.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -748.722298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.722298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.722298 (E_RNA)
where:
Base-Base interactions energy: -524.983
where: short stacking energy: -202.856
Base-Backbone interact. energy: -1.853
local terms energy: -221.886155
where:
bonds (distance) C4'-P energy: -36.923
bonds (distance) P-C4' energy: -49.830
flat angles C4'-P-C4' energy: -52.322
flat angles P-C4'-P energy: -31.664
tors. eta vs tors. theta energy: -51.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -706.303777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.303777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.303777 (E_RNA)
where:
Base-Base interactions energy: -492.027
where: short stacking energy: -202.526
Base-Backbone interact. energy: -1.935
local terms energy: -212.341540
where:
bonds (distance) C4'-P energy: -41.278
bonds (distance) P-C4' energy: -43.828
flat angles C4'-P-C4' energy: -48.677
flat angles P-C4'-P energy: -36.105
tors. eta vs tors. theta energy: -42.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -633.088973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.088973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.088973 (E_RNA)
where:
Base-Base interactions energy: -404.697
where: short stacking energy: -180.422
Base-Backbone interact. energy: -0.166
local terms energy: -228.225729
where:
bonds (distance) C4'-P energy: -42.054
bonds (distance) P-C4' energy: -55.910
flat angles C4'-P-C4' energy: -52.977
flat angles P-C4'-P energy: -34.109
tors. eta vs tors. theta energy: -43.176
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: 3
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -408.012742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.012742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.012742 (E_RNA)
where:
Base-Base interactions energy: -225.650
where: short stacking energy: -93.519
Base-Backbone interact. energy: -1.469
local terms energy: -180.893733
where:
bonds (distance) C4'-P energy: -35.612
bonds (distance) P-C4' energy: -37.764
flat angles C4'-P-C4' energy: -51.772
flat angles P-C4'-P energy: -42.517
tors. eta vs tors. theta energy: -13.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -941.741760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.741760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.741760 (E_RNA)
where:
Base-Base interactions energy: -649.860
where: short stacking energy: -253.606
Base-Backbone interact. energy: -2.726
local terms energy: -289.155732
where:
bonds (distance) C4'-P energy: -52.394
bonds (distance) P-C4' energy: -57.219
flat angles C4'-P-C4' energy: -59.085
flat angles P-C4'-P energy: -46.492
tors. eta vs tors. theta energy: -73.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -946.620693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.620693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.620693 (E_RNA)
where:
Base-Base interactions energy: -649.057
where: short stacking energy: -255.880
Base-Backbone interact. energy: -2.529
local terms energy: -295.035021
where:
bonds (distance) C4'-P energy: -58.059
bonds (distance) P-C4' energy: -55.470
flat angles C4'-P-C4' energy: -57.039
flat angles P-C4'-P energy: -43.676
tors. eta vs tors. theta energy: -80.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -925.153822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.153822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.153822 (E_RNA)
where:
Base-Base interactions energy: -645.583
where: short stacking energy: -251.106
Base-Backbone interact. energy: -1.600
local terms energy: -277.970824
where:
bonds (distance) C4'-P energy: -50.063
bonds (distance) P-C4' energy: -54.684
flat angles C4'-P-C4' energy: -56.435
flat angles P-C4'-P energy: -43.800
tors. eta vs tors. theta energy: -72.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -900.798744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.798744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.798744 (E_RNA)
where:
Base-Base interactions energy: -619.731
where: short stacking energy: -249.366
Base-Backbone interact. energy: -2.679
local terms energy: -278.388477
where:
bonds (distance) C4'-P energy: -54.663
bonds (distance) P-C4' energy: -57.997
flat angles C4'-P-C4' energy: -54.914
flat angles P-C4'-P energy: -36.009
tors. eta vs tors. theta energy: -74.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -811.094712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.094712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.094712 (E_RNA)
where:
Base-Base interactions energy: -564.063
where: short stacking energy: -230.733
Base-Backbone interact. energy: 0.238
local terms energy: -247.269694
where:
bonds (distance) C4'-P energy: -50.905
bonds (distance) P-C4' energy: -47.766
flat angles C4'-P-C4' energy: -52.869
flat angles P-C4'-P energy: -32.900
tors. eta vs tors. theta energy: -62.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -762.912233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.912233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.912233 (E_RNA)
where:
Base-Base interactions energy: -524.682
where: short stacking energy: -214.755
Base-Backbone interact. energy: -0.456
local terms energy: -237.774612
where:
bonds (distance) C4'-P energy: -52.859
bonds (distance) P-C4' energy: -42.395
flat angles C4'-P-C4' energy: -59.472
flat angles P-C4'-P energy: -24.416
tors. eta vs tors. theta energy: -58.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -761.088734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.088734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.088734 (E_RNA)
where:
Base-Base interactions energy: -528.161
where: short stacking energy: -218.744
Base-Backbone interact. energy: -0.420
local terms energy: -232.508411
where:
bonds (distance) C4'-P energy: -52.364
bonds (distance) P-C4' energy: -43.901
flat angles C4'-P-C4' energy: -53.268
flat angles P-C4'-P energy: -28.227
tors. eta vs tors. theta energy: -54.748
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: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -705.771401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.771401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.771401 (E_RNA)
where:
Base-Base interactions energy: -499.129
where: short stacking energy: -206.793
Base-Backbone interact. energy: -0.147
local terms energy: -206.495344
where:
bonds (distance) C4'-P energy: -48.429
bonds (distance) P-C4' energy: -48.662
flat angles C4'-P-C4' energy: -33.939
flat angles P-C4'-P energy: -29.016
tors. eta vs tors. theta energy: -46.449
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: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -615.801923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.801923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.801923 (E_RNA)
where:
Base-Base interactions energy: -392.182
where: short stacking energy: -173.647
Base-Backbone interact. energy: -0.184
local terms energy: -223.436781
where:
bonds (distance) C4'-P energy: -43.729
bonds (distance) P-C4' energy: -51.075
flat angles C4'-P-C4' energy: -53.252
flat angles P-C4'-P energy: -31.981
tors. eta vs tors. theta energy: -43.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -442.932523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.932523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.932523 (E_RNA)
where:
Base-Base interactions energy: -273.735
where: short stacking energy: -144.422
Base-Backbone interact. energy: -0.743
local terms energy: -168.454633
where:
bonds (distance) C4'-P energy: -36.942
bonds (distance) P-C4' energy: -53.360
flat angles C4'-P-C4' energy: -39.440
flat angles P-C4'-P energy: -17.718
tors. eta vs tors. theta energy: -20.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -971.748102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.748102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.748102 (E_RNA)
where:
Base-Base interactions energy: -675.836
where: short stacking energy: -265.087
Base-Backbone interact. energy: -3.598
local terms energy: -292.313915
where:
bonds (distance) C4'-P energy: -50.286
bonds (distance) P-C4' energy: -56.071
flat angles C4'-P-C4' energy: -58.187
flat angles P-C4'-P energy: -42.211
tors. eta vs tors. theta energy: -85.559
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: 6
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -937.005507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.005507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.005507 (E_RNA)
where:
Base-Base interactions energy: -650.778
where: short stacking energy: -264.430
Base-Backbone interact. energy: -1.253
local terms energy: -284.974325
where:
bonds (distance) C4'-P energy: -56.804
bonds (distance) P-C4' energy: -53.622
flat angles C4'-P-C4' energy: -56.069
flat angles P-C4'-P energy: -42.076
tors. eta vs tors. theta energy: -76.403
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: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -936.212850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.212850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.212850 (E_RNA)
where:
Base-Base interactions energy: -654.103
where: short stacking energy: -257.198
Base-Backbone interact. energy: -3.063
local terms energy: -279.046095
where:
bonds (distance) C4'-P energy: -53.922
bonds (distance) P-C4' energy: -61.375
flat angles C4'-P-C4' energy: -51.618
flat angles P-C4'-P energy: -38.489
tors. eta vs tors. theta energy: -73.642
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: 4, replica: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -866.276587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.276587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.276587 (E_RNA)
where:
Base-Base interactions energy: -599.073
where: short stacking energy: -234.532
Base-Backbone interact. energy: -0.475
local terms energy: -266.728142
where:
bonds (distance) C4'-P energy: -51.428
bonds (distance) P-C4' energy: -55.640
flat angles C4'-P-C4' energy: -50.737
flat angles P-C4'-P energy: -47.170
tors. eta vs tors. theta energy: -61.754
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: 8
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -802.008726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.008726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.008726 (E_RNA)
where:
Base-Base interactions energy: -568.285
where: short stacking energy: -216.551
Base-Backbone interact. energy: -3.036
local terms energy: -230.687447
where:
bonds (distance) C4'-P energy: -38.629
bonds (distance) P-C4' energy: -52.846
flat angles C4'-P-C4' energy: -49.108
flat angles P-C4'-P energy: -37.839
tors. eta vs tors. theta energy: -52.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -803.285120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.285120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.285120 (E_RNA)
where:
Base-Base interactions energy: -551.534
where: short stacking energy: -235.566
Base-Backbone interact. energy: -0.275
local terms energy: -251.475999
where:
bonds (distance) C4'-P energy: -44.057
bonds (distance) P-C4' energy: -44.203
flat angles C4'-P-C4' energy: -57.660
flat angles P-C4'-P energy: -36.157
tors. eta vs tors. theta energy: -69.399
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: 7, replica: 5
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -727.545108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.545108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.545108 (E_RNA)
where:
Base-Base interactions energy: -507.826
where: short stacking energy: -204.442
Base-Backbone interact. energy: -0.594
local terms energy: -219.124827
where:
bonds (distance) C4'-P energy: -44.051
bonds (distance) P-C4' energy: -43.060
flat angles C4'-P-C4' energy: -43.435
flat angles P-C4'-P energy: -34.944
tors. eta vs tors. theta energy: -53.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -724.268396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.268396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.268396 (E_RNA)
where:
Base-Base interactions energy: -519.375
where: short stacking energy: -225.776
Base-Backbone interact. energy: -2.058
local terms energy: -202.835474
where:
bonds (distance) C4'-P energy: -50.857
bonds (distance) P-C4' energy: -33.442
flat angles C4'-P-C4' energy: -48.882
flat angles P-C4'-P energy: -26.012
tors. eta vs tors. theta energy: -43.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -638.181929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.181929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.181929 (E_RNA)
where:
Base-Base interactions energy: -423.404
where: short stacking energy: -177.810
Base-Backbone interact. energy: -1.398
local terms energy: -213.379765
where:
bonds (distance) C4'-P energy: -44.704
bonds (distance) P-C4' energy: -39.208
flat angles C4'-P-C4' energy: -49.521
flat angles P-C4'-P energy: -39.745
tors. eta vs tors. theta energy: -40.201
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: 3
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -420.219729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.219729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.219729 (E_RNA)
where:
Base-Base interactions energy: -248.126
where: short stacking energy: -113.091
Base-Backbone interact. energy: 2.483
local terms energy: -174.576603
where:
bonds (distance) C4'-P energy: -46.689
bonds (distance) P-C4' energy: -39.079
flat angles C4'-P-C4' energy: -38.624
flat angles P-C4'-P energy: -31.588
tors. eta vs tors. theta energy: -18.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -964.689724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.689724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.689724 (E_RNA)
where:
Base-Base interactions energy: -671.341
where: short stacking energy: -268.161
Base-Backbone interact. energy: -2.139
local terms energy: -291.209138
where:
bonds (distance) C4'-P energy: -52.262
bonds (distance) P-C4' energy: -45.109
flat angles C4'-P-C4' energy: -66.665
flat angles P-C4'-P energy: -37.663
tors. eta vs tors. theta energy: -89.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -950.465451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.465451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.465451 (E_RNA)
where:
Base-Base interactions energy: -670.282
where: short stacking energy: -263.903
Base-Backbone interact. energy: -2.888
local terms energy: -277.295093
where:
bonds (distance) C4'-P energy: -43.581
bonds (distance) P-C4' energy: -56.387
flat angles C4'-P-C4' energy: -56.607
flat angles P-C4'-P energy: -39.934
tors. eta vs tors. theta energy: -80.786
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: 3, replica: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -906.648052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.648052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.648052 (E_RNA)
where:
Base-Base interactions energy: -638.230
where: short stacking energy: -253.440
Base-Backbone interact. energy: -2.680
local terms energy: -265.737979
where:
bonds (distance) C4'-P energy: -51.068
bonds (distance) P-C4' energy: -57.205
flat angles C4'-P-C4' energy: -51.807
flat angles P-C4'-P energy: -38.674
tors. eta vs tors. theta energy: -66.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -862.986051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.986051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.986051 (E_RNA)
where:
Base-Base interactions energy: -612.927
where: short stacking energy: -249.153
Base-Backbone interact. energy: -0.038
local terms energy: -250.020455
where:
bonds (distance) C4'-P energy: -40.464
bonds (distance) P-C4' energy: -51.394
flat angles C4'-P-C4' energy: -56.131
flat angles P-C4'-P energy: -38.189
tors. eta vs tors. theta energy: -63.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -821.827399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.827399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.827399 (E_RNA)
where:
Base-Base interactions energy: -572.165
where: short stacking energy: -231.392
Base-Backbone interact. energy: -0.676
local terms energy: -248.986296
where:
bonds (distance) C4'-P energy: -47.840
bonds (distance) P-C4' energy: -48.927
flat angles C4'-P-C4' energy: -57.116
flat angles P-C4'-P energy: -34.974
tors. eta vs tors. theta energy: -60.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -785.778637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.778637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.778637 (E_RNA)
where:
Base-Base interactions energy: -561.724
where: short stacking energy: -230.763
Base-Backbone interact. energy: -1.253
local terms energy: -222.801727
where:
bonds (distance) C4'-P energy: -46.776
bonds (distance) P-C4' energy: -41.805
flat angles C4'-P-C4' energy: -39.346
flat angles P-C4'-P energy: -32.850
tors. eta vs tors. theta energy: -62.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -759.025824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.025824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.025824 (E_RNA)
where:
Base-Base interactions energy: -528.040
where: short stacking energy: -211.044
Base-Backbone interact. energy: 0.129
local terms energy: -231.115400
where:
bonds (distance) C4'-P energy: -42.741
bonds (distance) P-C4' energy: -43.053
flat angles C4'-P-C4' energy: -54.291
flat angles P-C4'-P energy: -38.741
tors. eta vs tors. theta energy: -52.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -670.978260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.978260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.978260 (E_RNA)
where:
Base-Base interactions energy: -452.512
where: short stacking energy: -184.949
Base-Backbone interact. energy: -0.866
local terms energy: -217.600332
where:
bonds (distance) C4'-P energy: -48.678
bonds (distance) P-C4' energy: -48.230
flat angles C4'-P-C4' energy: -46.450
flat angles P-C4'-P energy: -33.247
tors. eta vs tors. theta energy: -40.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -678.084788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.084788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.084788 (E_RNA)
where:
Base-Base interactions energy: -474.449
where: short stacking energy: -184.526
Base-Backbone interact. energy: -0.609
local terms energy: -203.026880
where:
bonds (distance) C4'-P energy: -47.629
bonds (distance) P-C4' energy: -42.367
flat angles C4'-P-C4' energy: -41.304
flat angles P-C4'-P energy: -30.297
tors. eta vs tors. theta energy: -41.430
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: 3
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -423.180922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.180922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.180922 (E_RNA)
where:
Base-Base interactions energy: -233.438
where: short stacking energy: -101.548
Base-Backbone interact. energy: -0.625
local terms energy: -189.118499
where:
bonds (distance) C4'-P energy: -46.385
bonds (distance) P-C4' energy: -45.634
flat angles C4'-P-C4' energy: -49.467
flat angles P-C4'-P energy: -38.060
tors. eta vs tors. theta energy: -9.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -959.982799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.982799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.982799 (E_RNA)
where:
Base-Base interactions energy: -659.098
where: short stacking energy: -269.062
Base-Backbone interact. energy: -0.848
local terms energy: -300.036811
where:
bonds (distance) C4'-P energy: -56.179
bonds (distance) P-C4' energy: -54.038
flat angles C4'-P-C4' energy: -63.180
flat angles P-C4'-P energy: -39.733
tors. eta vs tors. theta energy: -86.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -964.365195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.365195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.365195 (E_RNA)
where:
Base-Base interactions energy: -662.030
where: short stacking energy: -264.850
Base-Backbone interact. energy: -2.578
local terms energy: -299.757561
where:
bonds (distance) C4'-P energy: -52.705
bonds (distance) P-C4' energy: -57.362
flat angles C4'-P-C4' energy: -60.469
flat angles P-C4'-P energy: -45.003
tors. eta vs tors. theta energy: -84.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -928.349520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.349520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.349520 (E_RNA)
where:
Base-Base interactions energy: -656.693
where: short stacking energy: -253.453
Base-Backbone interact. energy: -0.223
local terms energy: -271.433600
where:
bonds (distance) C4'-P energy: -51.152
bonds (distance) P-C4' energy: -56.426
flat angles C4'-P-C4' energy: -48.486
flat angles P-C4'-P energy: -43.610
tors. eta vs tors. theta energy: -71.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -887.800266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.800266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.800266 (E_RNA)
where:
Base-Base interactions energy: -632.857
where: short stacking energy: -270.465
Base-Backbone interact. energy: -1.794
local terms energy: -253.149418
where:
bonds (distance) C4'-P energy: -45.169
bonds (distance) P-C4' energy: -42.879
flat angles C4'-P-C4' energy: -56.251
flat angles P-C4'-P energy: -32.443
tors. eta vs tors. theta energy: -76.407
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: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -797.698642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.698642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.698642 (E_RNA)
where:
Base-Base interactions energy: -556.243
where: short stacking energy: -229.476
Base-Backbone interact. energy: -2.051
local terms energy: -239.404471
where:
bonds (distance) C4'-P energy: -55.327
bonds (distance) P-C4' energy: -47.316
flat angles C4'-P-C4' energy: -47.333
flat angles P-C4'-P energy: -30.295
tors. eta vs tors. theta energy: -59.134
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: 102
Temperature: 1.150000
Total energy: -795.103721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.103721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.103721 (E_RNA)
where:
Base-Base interactions energy: -558.275
where: short stacking energy: -217.748
Base-Backbone interact. energy: -1.477
local terms energy: -235.351972
where:
bonds (distance) C4'-P energy: -45.858
bonds (distance) P-C4' energy: -42.381
flat angles C4'-P-C4' energy: -59.882
flat angles P-C4'-P energy: -33.254
tors. eta vs tors. theta energy: -53.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -756.730683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.730683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.730683 (E_RNA)
where:
Base-Base interactions energy: -524.077
where: short stacking energy: -188.761
Base-Backbone interact. energy: -0.886
local terms energy: -231.767868
where:
bonds (distance) C4'-P energy: -38.269
bonds (distance) P-C4' energy: -41.384
flat angles C4'-P-C4' energy: -52.463
flat angles P-C4'-P energy: -49.329
tors. eta vs tors. theta energy: -50.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -671.484282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.484282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.484282 (E_RNA)
where:
Base-Base interactions energy: -444.504
where: short stacking energy: -200.432
Base-Backbone interact. energy: -1.270
local terms energy: -225.709576
where:
bonds (distance) C4'-P energy: -51.654
bonds (distance) P-C4' energy: -48.932
flat angles C4'-P-C4' energy: -43.882
flat angles P-C4'-P energy: -28.181
tors. eta vs tors. theta energy: -53.061
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: 7
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -671.891975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.891975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.891975 (E_RNA)
where:
Base-Base interactions energy: -484.347
where: short stacking energy: -189.433
Base-Backbone interact. energy: 2.602
local terms energy: -190.146961
where:
bonds (distance) C4'-P energy: -35.075
bonds (distance) P-C4' energy: -51.606
flat angles C4'-P-C4' energy: -42.078
flat angles P-C4'-P energy: -29.762
tors. eta vs tors. theta energy: -31.626
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: 3
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -434.975201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.975201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.975201 (E_RNA)
where:
Base-Base interactions energy: -260.939
where: short stacking energy: -134.796
Base-Backbone interact. energy: -0.236
local terms energy: -173.800644
where:
bonds (distance) C4'-P energy: -42.678
bonds (distance) P-C4' energy: -43.138
flat angles C4'-P-C4' energy: -43.496
flat angles P-C4'-P energy: -26.016
tors. eta vs tors. theta energy: -18.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -973.520431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.520431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.520431 (E_RNA)
where:
Base-Base interactions energy: -682.913
where: short stacking energy: -263.577
Base-Backbone interact. energy: -1.239
local terms energy: -289.368208
where:
bonds (distance) C4'-P energy: -59.342
bonds (distance) P-C4' energy: -48.595
flat angles C4'-P-C4' energy: -58.144
flat angles P-C4'-P energy: -41.395
tors. eta vs tors. theta energy: -81.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -936.303424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.303424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.303424 (E_RNA)
where:
Base-Base interactions energy: -640.960
where: short stacking energy: -259.583
Base-Backbone interact. energy: -0.986
local terms energy: -294.357193
where:
bonds (distance) C4'-P energy: -59.174
bonds (distance) P-C4' energy: -58.559
flat angles C4'-P-C4' energy: -61.211
flat angles P-C4'-P energy: -42.744
tors. eta vs tors. theta energy: -72.669
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: 103
Temperature: 1.000000
Total energy: -916.873298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.873298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.873298 (E_RNA)
where:
Base-Base interactions energy: -641.128
where: short stacking energy: -258.656
Base-Backbone interact. energy: -1.888
local terms energy: -273.856834
where:
bonds (distance) C4'-P energy: -50.466
bonds (distance) P-C4' energy: -43.897
flat angles C4'-P-C4' energy: -56.799
flat angles P-C4'-P energy: -37.467
tors. eta vs tors. theta energy: -85.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -872.870086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.870086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.870086 (E_RNA)
where:
Base-Base interactions energy: -595.035
where: short stacking energy: -236.470
Base-Backbone interact. energy: -1.613
local terms energy: -276.221514
where:
bonds (distance) C4'-P energy: -56.297
bonds (distance) P-C4' energy: -57.407
flat angles C4'-P-C4' energy: -58.585
flat angles P-C4'-P energy: -41.168
tors. eta vs tors. theta energy: -62.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -804.611902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.611902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.611902 (E_RNA)
where:
Base-Base interactions energy: -565.201
where: short stacking energy: -215.139
Base-Backbone interact. energy: -2.448
local terms energy: -236.963225
where:
bonds (distance) C4'-P energy: -40.801
bonds (distance) P-C4' energy: -54.348
flat angles C4'-P-C4' energy: -47.499
flat angles P-C4'-P energy: -37.903
tors. eta vs tors. theta energy: -56.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -778.649835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.649835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.649835 (E_RNA)
where:
Base-Base interactions energy: -543.063
where: short stacking energy: -232.610
Base-Backbone interact. energy: -1.701
local terms energy: -233.886154
where:
bonds (distance) C4'-P energy: -39.530
bonds (distance) P-C4' energy: -44.583
flat angles C4'-P-C4' energy: -56.630
flat angles P-C4'-P energy: -33.381
tors. eta vs tors. theta energy: -59.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -780.058364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.058364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.058364 (E_RNA)
where:
Base-Base interactions energy: -543.799
where: short stacking energy: -221.086
Base-Backbone interact. energy: -0.863
local terms energy: -235.396840
where:
bonds (distance) C4'-P energy: -50.728
bonds (distance) P-C4' energy: -39.803
flat angles C4'-P-C4' energy: -55.113
flat angles P-C4'-P energy: -33.845
tors. eta vs tors. theta energy: -55.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -681.471459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.471459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.471459 (E_RNA)
where:
Base-Base interactions energy: -481.348
where: short stacking energy: -176.927
Base-Backbone interact. energy: -1.664
local terms energy: -198.459424
where:
bonds (distance) C4'-P energy: -45.386
bonds (distance) P-C4' energy: -40.783
flat angles C4'-P-C4' energy: -43.500
flat angles P-C4'-P energy: -32.751
tors. eta vs tors. theta energy: -36.039
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: 103
Temperature: 1.300000
Total energy: -630.720586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.720586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.720586 (E_RNA)
where:
Base-Base interactions energy: -422.431
where: short stacking energy: -182.116
Base-Backbone interact. energy: -0.195
local terms energy: -208.095579
where:
bonds (distance) C4'-P energy: -38.168
bonds (distance) P-C4' energy: -54.522
flat angles C4'-P-C4' energy: -48.078
flat angles P-C4'-P energy: -29.522
tors. eta vs tors. theta energy: -37.805
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: 3
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -367.382076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.382076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.382076 (E_RNA)
where:
Base-Base interactions energy: -183.047
where: short stacking energy: -108.585
Base-Backbone interact. energy: -1.596
local terms energy: -182.738778
where:
bonds (distance) C4'-P energy: -53.066
bonds (distance) P-C4' energy: -47.438
flat angles C4'-P-C4' energy: -46.501
flat angles P-C4'-P energy: -27.236
tors. eta vs tors. theta energy: -8.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -957.715434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.715434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.715434 (E_RNA)
where:
Base-Base interactions energy: -679.555
where: short stacking energy: -268.090
Base-Backbone interact. energy: -1.520
local terms energy: -276.640129
where:
bonds (distance) C4'-P energy: -52.842
bonds (distance) P-C4' energy: -49.165
flat angles C4'-P-C4' energy: -48.474
flat angles P-C4'-P energy: -44.877
tors. eta vs tors. theta energy: -81.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -947.862288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.862288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.862288 (E_RNA)
where:
Base-Base interactions energy: -665.374
where: short stacking energy: -286.859
Base-Backbone interact. energy: 0.179
local terms energy: -282.667988
where:
bonds (distance) C4'-P energy: -51.177
bonds (distance) P-C4' energy: -41.705
flat angles C4'-P-C4' energy: -68.800
flat angles P-C4'-P energy: -37.254
tors. eta vs tors. theta energy: -83.732
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: 3, replica: 6
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -919.341182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.341182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.341182 (E_RNA)
where:
Base-Base interactions energy: -643.195
where: short stacking energy: -250.645
Base-Backbone interact. energy: -2.048
local terms energy: -274.098733
where:
bonds (distance) C4'-P energy: -48.608
bonds (distance) P-C4' energy: -51.843
flat angles C4'-P-C4' energy: -55.092
flat angles P-C4'-P energy: -41.975
tors. eta vs tors. theta energy: -76.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -887.266181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.266181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.266181 (E_RNA)
where:
Base-Base interactions energy: -617.039
where: short stacking energy: -243.319
Base-Backbone interact. energy: -2.052
local terms energy: -268.175096
where:
bonds (distance) C4'-P energy: -53.191
bonds (distance) P-C4' energy: -57.809
flat angles C4'-P-C4' energy: -51.366
flat angles P-C4'-P energy: -39.953
tors. eta vs tors. theta energy: -65.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -798.084781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.084781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.084781 (E_RNA)
where:
Base-Base interactions energy: -545.173
where: short stacking energy: -215.872
Base-Backbone interact. energy: -1.287
local terms energy: -251.624209
where:
bonds (distance) C4'-P energy: -57.542
bonds (distance) P-C4' energy: -42.508
flat angles C4'-P-C4' energy: -58.833
flat angles P-C4'-P energy: -32.633
tors. eta vs tors. theta energy: -60.107
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: 8
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -766.781278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.781278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.781278 (E_RNA)
where:
Base-Base interactions energy: -528.259
where: short stacking energy: -217.655
Base-Backbone interact. energy: -1.353
local terms energy: -237.169569
where:
bonds (distance) C4'-P energy: -47.970
bonds (distance) P-C4' energy: -56.947
flat angles C4'-P-C4' energy: -54.420
flat angles P-C4'-P energy: -31.469
tors. eta vs tors. theta energy: -46.364
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: 5
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -806.699665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.699665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.699665 (E_RNA)
where:
Base-Base interactions energy: -576.575
where: short stacking energy: -221.701
Base-Backbone interact. energy: 3.333
local terms energy: -233.457963
where:
bonds (distance) C4'-P energy: -40.689
bonds (distance) P-C4' energy: -40.364
flat angles C4'-P-C4' energy: -57.058
flat angles P-C4'-P energy: -38.387
tors. eta vs tors. theta energy: -56.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -645.205806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.205806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.205806 (E_RNA)
where:
Base-Base interactions energy: -453.267
where: short stacking energy: -180.195
Base-Backbone interact. energy: 0.780
local terms energy: -192.719004
where:
bonds (distance) C4'-P energy: -32.891
bonds (distance) P-C4' energy: -51.288
flat angles C4'-P-C4' energy: -47.646
flat angles P-C4'-P energy: -28.083
tors. eta vs tors. theta energy: -32.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -649.389819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.389819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.389819 (E_RNA)
where:
Base-Base interactions energy: -438.173
where: short stacking energy: -187.847
Base-Backbone interact. energy: -0.732
local terms energy: -210.485106
where:
bonds (distance) C4'-P energy: -49.868
bonds (distance) P-C4' energy: -43.920
flat angles C4'-P-C4' energy: -41.342
flat angles P-C4'-P energy: -30.040
tors. eta vs tors. theta energy: -45.315
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: 10, replica: 3
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -371.958271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.958271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.958271 (E_RNA)
where:
Base-Base interactions energy: -200.782
where: short stacking energy: -114.120
Base-Backbone interact. energy: -1.203
local terms energy: -169.973863
where:
bonds (distance) C4'-P energy: -43.507
bonds (distance) P-C4' energy: -54.709
flat angles C4'-P-C4' energy: -39.455
flat angles P-C4'-P energy: -18.113
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -960.455728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.455728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.455728 (E_RNA)
where:
Base-Base interactions energy: -665.012
where: short stacking energy: -265.126
Base-Backbone interact. energy: -1.428
local terms energy: -294.015829
where:
bonds (distance) C4'-P energy: -55.345
bonds (distance) P-C4' energy: -55.803
flat angles C4'-P-C4' energy: -62.775
flat angles P-C4'-P energy: -39.139
tors. eta vs tors. theta energy: -80.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -945.623228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.623228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.623228 (E_RNA)
where:
Base-Base interactions energy: -640.100
where: short stacking energy: -252.355
Base-Backbone interact. energy: -3.300
local terms energy: -302.223530
where:
bonds (distance) C4'-P energy: -56.935
bonds (distance) P-C4' energy: -53.087
flat angles C4'-P-C4' energy: -65.126
flat angles P-C4'-P energy: -47.054
tors. eta vs tors. theta energy: -80.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -921.684364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.684364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.684364 (E_RNA)
where:
Base-Base interactions energy: -652.096
where: short stacking energy: -271.055
Base-Backbone interact. energy: -0.961
local terms energy: -268.627193
where:
bonds (distance) C4'-P energy: -39.067
bonds (distance) P-C4' energy: -56.097
flat angles C4'-P-C4' energy: -56.033
flat angles P-C4'-P energy: -40.111
tors. eta vs tors. theta energy: -77.319
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: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -887.709792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.709792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.709792 (E_RNA)
where:
Base-Base interactions energy: -638.853
where: short stacking energy: -255.093
Base-Backbone interact. energy: 1.372
local terms energy: -250.228247
where:
bonds (distance) C4'-P energy: -51.313
bonds (distance) P-C4' energy: -41.853
flat angles C4'-P-C4' energy: -59.351
flat angles P-C4'-P energy: -28.619
tors. eta vs tors. theta energy: -69.093
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: 5, replica: 1
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -803.129969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.129969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.129969 (E_RNA)
where:
Base-Base interactions energy: -560.665
where: short stacking energy: -224.547
Base-Backbone interact. energy: -1.882
local terms energy: -240.582865
where:
bonds (distance) C4'-P energy: -39.940
bonds (distance) P-C4' energy: -45.781
flat angles C4'-P-C4' energy: -57.914
flat angles P-C4'-P energy: -40.051
tors. eta vs tors. theta energy: -56.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -832.325807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.325807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.325807 (E_RNA)
where:
Base-Base interactions energy: -594.342
where: short stacking energy: -251.591
Base-Backbone interact. energy: 0.026
local terms energy: -238.009110
where:
bonds (distance) C4'-P energy: -44.085
bonds (distance) P-C4' energy: -36.262
flat angles C4'-P-C4' energy: -56.130
flat angles P-C4'-P energy: -35.672
tors. eta vs tors. theta energy: -65.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -764.442772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.442772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.442772 (E_RNA)
where:
Base-Base interactions energy: -527.619
where: short stacking energy: -216.996
Base-Backbone interact. energy: 0.224
local terms energy: -237.047726
where:
bonds (distance) C4'-P energy: -46.488
bonds (distance) P-C4' energy: -51.348
flat angles C4'-P-C4' energy: -51.981
flat angles P-C4'-P energy: -32.345
tors. eta vs tors. theta energy: -54.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -670.472546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.472546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.472546 (E_RNA)
where:
Base-Base interactions energy: -455.129
where: short stacking energy: -175.822
Base-Backbone interact. energy: -0.640
local terms energy: -214.703621
where:
bonds (distance) C4'-P energy: -49.948
bonds (distance) P-C4' energy: -42.568
flat angles C4'-P-C4' energy: -43.603
flat angles P-C4'-P energy: -38.107
tors. eta vs tors. theta energy: -40.478
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: 7
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -623.737076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.737076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.737076 (E_RNA)
where:
Base-Base interactions energy: -427.001
where: short stacking energy: -185.838
Base-Backbone interact. energy: -0.553
local terms energy: -196.182654
where:
bonds (distance) C4'-P energy: -45.479
bonds (distance) P-C4' energy: -39.075
flat angles C4'-P-C4' energy: -45.375
flat angles P-C4'-P energy: -27.664
tors. eta vs tors. theta energy: -38.590
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: 3
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -400.105034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.105034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.105034 (E_RNA)
where:
Base-Base interactions energy: -240.961
where: short stacking energy: -95.979
Base-Backbone interact. energy: 2.116
local terms energy: -161.259724
where:
bonds (distance) C4'-P energy: -40.398
bonds (distance) P-C4' energy: -50.948
flat angles C4'-P-C4' energy: -45.139
flat angles P-C4'-P energy: -23.900
tors. eta vs tors. theta energy: -0.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -981.017884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.017884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.017884 (E_RNA)
where:
Base-Base interactions energy: -694.027
where: short stacking energy: -281.476
Base-Backbone interact. energy: -3.283
local terms energy: -283.707950
where:
bonds (distance) C4'-P energy: -46.507
bonds (distance) P-C4' energy: -57.496
flat angles C4'-P-C4' energy: -54.577
flat angles P-C4'-P energy: -43.607
tors. eta vs tors. theta energy: -81.521
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: 6
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -930.324632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.324632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.324632 (E_RNA)
where:
Base-Base interactions energy: -661.390
where: short stacking energy: -268.779
Base-Backbone interact. energy: -0.716
local terms energy: -268.218735
where:
bonds (distance) C4'-P energy: -50.987
bonds (distance) P-C4' energy: -43.935
flat angles C4'-P-C4' energy: -52.213
flat angles P-C4'-P energy: -38.666
tors. eta vs tors. theta energy: -82.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -898.693581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.693581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.693581 (E_RNA)
where:
Base-Base interactions energy: -628.605
where: short stacking energy: -250.648
Base-Backbone interact. energy: -2.918
local terms energy: -267.170308
where:
bonds (distance) C4'-P energy: -48.457
bonds (distance) P-C4' energy: -58.433
flat angles C4'-P-C4' energy: -55.114
flat angles P-C4'-P energy: -33.305
tors. eta vs tors. theta energy: -71.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -872.317837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.317837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.317837 (E_RNA)
where:
Base-Base interactions energy: -609.465
where: short stacking energy: -242.824
Base-Backbone interact. energy: -1.418
local terms energy: -261.434819
where:
bonds (distance) C4'-P energy: -53.097
bonds (distance) P-C4' energy: -49.675
flat angles C4'-P-C4' energy: -48.748
flat angles P-C4'-P energy: -39.450
tors. eta vs tors. theta energy: -70.466
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: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -831.897952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.897952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.897952 (E_RNA)
where:
Base-Base interactions energy: -588.963
where: short stacking energy: -222.793
Base-Backbone interact. energy: -0.245
local terms energy: -242.690765
where:
bonds (distance) C4'-P energy: -41.719
bonds (distance) P-C4' energy: -47.043
flat angles C4'-P-C4' energy: -48.623
flat angles P-C4'-P energy: -41.064
tors. eta vs tors. theta energy: -64.243
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: 1
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -809.155551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.155551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.155551 (E_RNA)
where:
Base-Base interactions energy: -569.504
where: short stacking energy: -235.152
Base-Backbone interact. energy: -0.837
local terms energy: -238.814326
where:
bonds (distance) C4'-P energy: -44.171
bonds (distance) P-C4' energy: -44.149
flat angles C4'-P-C4' energy: -59.092
flat angles P-C4'-P energy: -33.438
tors. eta vs tors. theta energy: -57.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -709.215143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.215143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.215143 (E_RNA)
where:
Base-Base interactions energy: -483.305
where: short stacking energy: -198.463
Base-Backbone interact. energy: -0.158
local terms energy: -225.752713
where:
bonds (distance) C4'-P energy: -44.810
bonds (distance) P-C4' energy: -39.588
flat angles C4'-P-C4' energy: -56.671
flat angles P-C4'-P energy: -36.389
tors. eta vs tors. theta energy: -48.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -709.028611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.028611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.028611 (E_RNA)
where:
Base-Base interactions energy: -492.080
where: short stacking energy: -197.277
Base-Backbone interact. energy: -0.635
local terms energy: -216.313696
where:
bonds (distance) C4'-P energy: -34.337
bonds (distance) P-C4' energy: -51.903
flat angles C4'-P-C4' energy: -50.081
flat angles P-C4'-P energy: -36.584
tors. eta vs tors. theta energy: -43.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -655.820331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.820331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.820331 (E_RNA)
where:
Base-Base interactions energy: -469.532
where: short stacking energy: -192.635
Base-Backbone interact. energy: -2.565
local terms energy: -183.723547
where:
bonds (distance) C4'-P energy: -28.487
bonds (distance) P-C4' energy: -47.750
flat angles C4'-P-C4' energy: -37.144
flat angles P-C4'-P energy: -36.654
tors. eta vs tors. theta energy: -33.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -368.798443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.798443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.798443 (E_RNA)
where:
Base-Base interactions energy: -204.285
where: short stacking energy: -113.158
Base-Backbone interact. energy: 0.410
local terms energy: -164.924009
where:
bonds (distance) C4'-P energy: -36.038
bonds (distance) P-C4' energy: -34.402
flat angles C4'-P-C4' energy: -46.144
flat angles P-C4'-P energy: -33.553
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -966.772651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.772651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.772651 (E_RNA)
where:
Base-Base interactions energy: -665.591
where: short stacking energy: -267.980
Base-Backbone interact. energy: -1.024
local terms energy: -300.157723
where:
bonds (distance) C4'-P energy: -59.947
bonds (distance) P-C4' energy: -58.068
flat angles C4'-P-C4' energy: -54.042
flat angles P-C4'-P energy: -46.010
tors. eta vs tors. theta energy: -82.090
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: 2, replica: 6
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -943.707233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.707233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.707233 (E_RNA)
where:
Base-Base interactions energy: -660.111
where: short stacking energy: -269.530
Base-Backbone interact. energy: -2.635
local terms energy: -280.961146
where:
bonds (distance) C4'-P energy: -49.394
bonds (distance) P-C4' energy: -47.595
flat angles C4'-P-C4' energy: -59.090
flat angles P-C4'-P energy: -45.386
tors. eta vs tors. theta energy: -79.497
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: 10
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -929.157510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.157510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.157510 (E_RNA)
where:
Base-Base interactions energy: -646.311
where: short stacking energy: -252.608
Base-Backbone interact. energy: -1.649
local terms energy: -281.198055
where:
bonds (distance) C4'-P energy: -56.676
bonds (distance) P-C4' energy: -47.266
flat angles C4'-P-C4' energy: -61.499
flat angles P-C4'-P energy: -37.928
tors. eta vs tors. theta energy: -77.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -854.222776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.222776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.222776 (E_RNA)
where:
Base-Base interactions energy: -590.828
where: short stacking energy: -236.768
Base-Backbone interact. energy: -2.222
local terms energy: -261.173275
where:
bonds (distance) C4'-P energy: -44.979
bonds (distance) P-C4' energy: -56.311
flat angles C4'-P-C4' energy: -54.390
flat angles P-C4'-P energy: -39.463
tors. eta vs tors. theta energy: -66.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -838.088672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.088672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.088672 (E_RNA)
where:
Base-Base interactions energy: -602.805
where: short stacking energy: -238.183
Base-Backbone interact. energy: -0.334
local terms energy: -234.950318
where:
bonds (distance) C4'-P energy: -42.398
bonds (distance) P-C4' energy: -41.981
flat angles C4'-P-C4' energy: -52.975
flat angles P-C4'-P energy: -33.488
tors. eta vs tors. theta energy: -64.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -796.186141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.186141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.186141 (E_RNA)
where:
Base-Base interactions energy: -558.312
where: short stacking energy: -207.872
Base-Backbone interact. energy: -2.025
local terms energy: -235.849118
where:
bonds (distance) C4'-P energy: -41.498
bonds (distance) P-C4' energy: -52.150
flat angles C4'-P-C4' energy: -60.872
flat angles P-C4'-P energy: -28.495
tors. eta vs tors. theta energy: -52.835
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: 9
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -710.704853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.704853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.704853 (E_RNA)
where:
Base-Base interactions energy: -476.183
where: short stacking energy: -191.800
Base-Backbone interact. energy: -1.753
local terms energy: -232.769758
where:
bonds (distance) C4'-P energy: -43.518
bonds (distance) P-C4' energy: -52.488
flat angles C4'-P-C4' energy: -57.651
flat angles P-C4'-P energy: -33.447
tors. eta vs tors. theta energy: -45.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -689.916990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.916990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.916990 (E_RNA)
where:
Base-Base interactions energy: -461.085
where: short stacking energy: -173.243
Base-Backbone interact. energy: -0.496
local terms energy: -228.336379
where:
bonds (distance) C4'-P energy: -46.931
bonds (distance) P-C4' energy: -55.667
flat angles C4'-P-C4' energy: -51.248
flat angles P-C4'-P energy: -31.700
tors. eta vs tors. theta energy: -42.791
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: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -639.536603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.536603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.536603 (E_RNA)
where:
Base-Base interactions energy: -432.170
where: short stacking energy: -177.333
Base-Backbone interact. energy: -0.376
local terms energy: -206.990559
where:
bonds (distance) C4'-P energy: -48.952
bonds (distance) P-C4' energy: -40.079
flat angles C4'-P-C4' energy: -52.338
flat angles P-C4'-P energy: -27.840
tors. eta vs tors. theta energy: -37.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -392.840840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.840840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.840840 (E_RNA)
where:
Base-Base interactions energy: -216.897
where: short stacking energy: -116.594
Base-Backbone interact. energy: -0.054
local terms energy: -175.890025
where:
bonds (distance) C4'-P energy: -36.936
bonds (distance) P-C4' energy: -39.129
flat angles C4'-P-C4' energy: -47.164
flat angles P-C4'-P energy: -28.738
tors. eta vs tors. theta energy: -23.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -978.526430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.526430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.526430 (E_RNA)
where:
Base-Base interactions energy: -675.785
where: short stacking energy: -264.132
Base-Backbone interact. energy: -0.997
local terms energy: -301.744822
where:
bonds (distance) C4'-P energy: -49.650
bonds (distance) P-C4' energy: -56.350
flat angles C4'-P-C4' energy: -65.210
flat angles P-C4'-P energy: -46.208
tors. eta vs tors. theta energy: -84.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -964.904704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.904704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.904704 (E_RNA)
where:
Base-Base interactions energy: -672.009
where: short stacking energy: -270.226
Base-Backbone interact. energy: -1.633
local terms energy: -291.263421
where:
bonds (distance) C4'-P energy: -56.182
bonds (distance) P-C4' energy: -49.882
flat angles C4'-P-C4' energy: -61.719
flat angles P-C4'-P energy: -43.812
tors. eta vs tors. theta energy: -79.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -938.182939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.182939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.182939 (E_RNA)
where:
Base-Base interactions energy: -668.771
where: short stacking energy: -272.139
Base-Backbone interact. energy: -3.462
local terms energy: -265.950060
where:
bonds (distance) C4'-P energy: -44.162
bonds (distance) P-C4' energy: -49.870
flat angles C4'-P-C4' energy: -57.432
flat angles P-C4'-P energy: -42.580
tors. eta vs tors. theta energy: -71.907
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: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -841.326404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.326404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.326404 (E_RNA)
where:
Base-Base interactions energy: -582.996
where: short stacking energy: -236.601
Base-Backbone interact. energy: -1.424
local terms energy: -256.906265
where:
bonds (distance) C4'-P energy: -43.085
bonds (distance) P-C4' energy: -56.635
flat angles C4'-P-C4' energy: -60.852
flat angles P-C4'-P energy: -32.347
tors. eta vs tors. theta energy: -63.987
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: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -779.449325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.449325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.449325 (E_RNA)
where:
Base-Base interactions energy: -546.982
where: short stacking energy: -221.710
Base-Backbone interact. energy: -2.082
local terms energy: -230.384976
where:
bonds (distance) C4'-P energy: -36.093
bonds (distance) P-C4' energy: -43.926
flat angles C4'-P-C4' energy: -58.515
flat angles P-C4'-P energy: -39.211
tors. eta vs tors. theta energy: -52.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -832.110897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.110897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.110897 (E_RNA)
where:
Base-Base interactions energy: -591.683
where: short stacking energy: -232.714
Base-Backbone interact. energy: -1.555
local terms energy: -238.873558
where:
bonds (distance) C4'-P energy: -42.145
bonds (distance) P-C4' energy: -50.655
flat angles C4'-P-C4' energy: -48.250
flat angles P-C4'-P energy: -34.598
tors. eta vs tors. theta energy: -63.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -733.435352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.435352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.435352 (E_RNA)
where:
Base-Base interactions energy: -518.986
where: short stacking energy: -222.553
Base-Backbone interact. energy: -1.121
local terms energy: -213.328447
where:
bonds (distance) C4'-P energy: -46.443
bonds (distance) P-C4' energy: -47.054
flat angles C4'-P-C4' energy: -45.493
flat angles P-C4'-P energy: -21.921
tors. eta vs tors. theta energy: -52.416
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: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -681.972080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.972080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.972080 (E_RNA)
where:
Base-Base interactions energy: -465.256
where: short stacking energy: -199.250
Base-Backbone interact. energy: 0.888
local terms energy: -217.604628
where:
bonds (distance) C4'-P energy: -40.918
bonds (distance) P-C4' energy: -41.207
flat angles C4'-P-C4' energy: -53.425
flat angles P-C4'-P energy: -32.968
tors. eta vs tors. theta energy: -49.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -562.360434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.360434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.360434 (E_RNA)
where:
Base-Base interactions energy: -368.529
where: short stacking energy: -168.380
Base-Backbone interact. energy: -1.534
local terms energy: -192.298336
where:
bonds (distance) C4'-P energy: -47.554
bonds (distance) P-C4' energy: -44.941
flat angles C4'-P-C4' energy: -46.250
flat angles P-C4'-P energy: -25.080
tors. eta vs tors. theta energy: -28.473
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: 3
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -353.390057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.390057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.390057 (E_RNA)
where:
Base-Base interactions energy: -199.482
where: short stacking energy: -100.082
Base-Backbone interact. energy: 0.217
local terms energy: -154.124606
where:
bonds (distance) C4'-P energy: -34.018
bonds (distance) P-C4' energy: -42.756
flat angles C4'-P-C4' energy: -37.067
flat angles P-C4'-P energy: -28.848
tors. eta vs tors. theta energy: -11.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -957.862976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.862976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.862976 (E_RNA)
where:
Base-Base interactions energy: -671.667
where: short stacking energy: -266.234
Base-Backbone interact. energy: -1.826
local terms energy: -284.369912
where:
bonds (distance) C4'-P energy: -51.205
bonds (distance) P-C4' energy: -50.272
flat angles C4'-P-C4' energy: -55.004
flat angles P-C4'-P energy: -46.887
tors. eta vs tors. theta energy: -81.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -958.682518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.682518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.682518 (E_RNA)
where:
Base-Base interactions energy: -675.979
where: short stacking energy: -269.973
Base-Backbone interact. energy: -1.330
local terms energy: -281.373555
where:
bonds (distance) C4'-P energy: -51.919
bonds (distance) P-C4' energy: -50.279
flat angles C4'-P-C4' energy: -61.095
flat angles P-C4'-P energy: -36.687
tors. eta vs tors. theta energy: -81.395
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: 3, replica: 10
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -933.562028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.562028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.562028 (E_RNA)
where:
Base-Base interactions energy: -663.544
where: short stacking energy: -270.983
Base-Backbone interact. energy: -3.306
local terms energy: -266.711500
where:
bonds (distance) C4'-P energy: -47.309
bonds (distance) P-C4' energy: -53.395
flat angles C4'-P-C4' energy: -57.144
flat angles P-C4'-P energy: -43.028
tors. eta vs tors. theta energy: -65.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -855.991428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.991428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.991428 (E_RNA)
where:
Base-Base interactions energy: -585.785
where: short stacking energy: -243.132
Base-Backbone interact. energy: 1.425
local terms energy: -271.631463
where:
bonds (distance) C4'-P energy: -52.257
bonds (distance) P-C4' energy: -45.974
flat angles C4'-P-C4' energy: -56.201
flat angles P-C4'-P energy: -42.362
tors. eta vs tors. theta energy: -74.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -809.515294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.515294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.515294 (E_RNA)
where:
Base-Base interactions energy: -572.344
where: short stacking energy: -222.977
Base-Backbone interact. energy: -1.109
local terms energy: -236.062583
where:
bonds (distance) C4'-P energy: -45.907
bonds (distance) P-C4' energy: -43.620
flat angles C4'-P-C4' energy: -47.124
flat angles P-C4'-P energy: -37.847
tors. eta vs tors. theta energy: -61.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -811.861910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.861910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.861910 (E_RNA)
where:
Base-Base interactions energy: -570.071
where: short stacking energy: -215.862
Base-Backbone interact. energy: -2.759
local terms energy: -239.032750
where:
bonds (distance) C4'-P energy: -46.956
bonds (distance) P-C4' energy: -47.613
flat angles C4'-P-C4' energy: -52.313
flat angles P-C4'-P energy: -36.591
tors. eta vs tors. theta energy: -55.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -717.793977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.793977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.793977 (E_RNA)
where:
Base-Base interactions energy: -520.364
where: short stacking energy: -193.409
Base-Backbone interact. energy: -0.748
local terms energy: -196.681097
where:
bonds (distance) C4'-P energy: -43.158
bonds (distance) P-C4' energy: -47.113
flat angles C4'-P-C4' energy: -38.315
flat angles P-C4'-P energy: -28.402
tors. eta vs tors. theta energy: -39.694
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: 9
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -650.596884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.596884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.596884 (E_RNA)
where:
Base-Base interactions energy: -437.977
where: short stacking energy: -184.791
Base-Backbone interact. energy: -0.682
local terms energy: -211.938272
where:
bonds (distance) C4'-P energy: -38.220
bonds (distance) P-C4' energy: -43.768
flat angles C4'-P-C4' energy: -50.667
flat angles P-C4'-P energy: -38.900
tors. eta vs tors. theta energy: -40.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -557.532730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.532730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.532730 (E_RNA)
where:
Base-Base interactions energy: -374.008
where: short stacking energy: -152.046
Base-Backbone interact. energy: -0.667
local terms energy: -182.857754
where:
bonds (distance) C4'-P energy: -33.493
bonds (distance) P-C4' energy: -40.828
flat angles C4'-P-C4' energy: -40.714
flat angles P-C4'-P energy: -36.614
tors. eta vs tors. theta energy: -31.210
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: 3
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -323.880217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.880217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.880217 (E_RNA)
where:
Base-Base interactions energy: -163.382
where: short stacking energy: -93.919
Base-Backbone interact. energy: -0.401
local terms energy: -160.097022
where:
bonds (distance) C4'-P energy: -50.133
bonds (distance) P-C4' energy: -40.568
flat angles C4'-P-C4' energy: -41.883
flat angles P-C4'-P energy: -23.840
tors. eta vs tors. theta energy: -3.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -973.514736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.514736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.514736 (E_RNA)
where:
Base-Base interactions energy: -678.660
where: short stacking energy: -275.855
Base-Backbone interact. energy: -1.002
local terms energy: -293.852741
where:
bonds (distance) C4'-P energy: -55.716
bonds (distance) P-C4' energy: -55.276
flat angles C4'-P-C4' energy: -64.001
flat angles P-C4'-P energy: -38.834
tors. eta vs tors. theta energy: -80.026
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: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -942.545342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.545342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.545342 (E_RNA)
where:
Base-Base interactions energy: -660.943
where: short stacking energy: -270.351
Base-Backbone interact. energy: -1.233
local terms energy: -280.368761
where:
bonds (distance) C4'-P energy: -54.668
bonds (distance) P-C4' energy: -55.738
flat angles C4'-P-C4' energy: -63.705
flat angles P-C4'-P energy: -24.377
tors. eta vs tors. theta energy: -81.881
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: 3, replica: 1
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -894.283169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.283169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.283169 (E_RNA)
where:
Base-Base interactions energy: -618.499
where: short stacking energy: -239.819
Base-Backbone interact. energy: -0.627
local terms energy: -275.157564
where:
bonds (distance) C4'-P energy: -51.393
bonds (distance) P-C4' energy: -57.628
flat angles C4'-P-C4' energy: -64.250
flat angles P-C4'-P energy: -31.867
tors. eta vs tors. theta energy: -70.019
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: 10
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -899.791387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.791387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.791387 (E_RNA)
where:
Base-Base interactions energy: -621.295
where: short stacking energy: -251.060
Base-Backbone interact. energy: -0.215
local terms energy: -278.281382
where:
bonds (distance) C4'-P energy: -49.457
bonds (distance) P-C4' energy: -57.368
flat angles C4'-P-C4' energy: -58.807
flat angles P-C4'-P energy: -43.831
tors. eta vs tors. theta energy: -68.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -818.996936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.996936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.996936 (E_RNA)
where:
Base-Base interactions energy: -572.178
where: short stacking energy: -225.043
Base-Backbone interact. energy: -2.059
local terms energy: -244.759655
where:
bonds (distance) C4'-P energy: -39.737
bonds (distance) P-C4' energy: -54.015
flat angles C4'-P-C4' energy: -53.015
flat angles P-C4'-P energy: -37.946
tors. eta vs tors. theta energy: -60.048
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: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -747.931384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.931384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.931384 (E_RNA)
where:
Base-Base interactions energy: -514.747
where: short stacking energy: -190.684
Base-Backbone interact. energy: 0.176
local terms energy: -233.360949
where:
bonds (distance) C4'-P energy: -39.932
bonds (distance) P-C4' energy: -44.469
flat angles C4'-P-C4' energy: -62.224
flat angles P-C4'-P energy: -41.720
tors. eta vs tors. theta energy: -45.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -718.799024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.799024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.799024 (E_RNA)
where:
Base-Base interactions energy: -497.223
where: short stacking energy: -191.032
Base-Backbone interact. energy: -0.255
local terms energy: -221.321483
where:
bonds (distance) C4'-P energy: -43.423
bonds (distance) P-C4' energy: -51.383
flat angles C4'-P-C4' energy: -49.287
flat angles P-C4'-P energy: -32.926
tors. eta vs tors. theta energy: -44.302
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: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -661.080492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.080492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.080492 (E_RNA)
where:
Base-Base interactions energy: -457.004
where: short stacking energy: -182.139
Base-Backbone interact. energy: 1.375
local terms energy: -205.451136
where:
bonds (distance) C4'-P energy: -52.787
bonds (distance) P-C4' energy: -45.399
flat angles C4'-P-C4' energy: -37.383
flat angles P-C4'-P energy: -27.958
tors. eta vs tors. theta energy: -41.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -569.854581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.854581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.854581 (E_RNA)
where:
Base-Base interactions energy: -366.026
where: short stacking energy: -156.667
Base-Backbone interact. energy: -0.541
local terms energy: -203.287762
where:
bonds (distance) C4'-P energy: -48.282
bonds (distance) P-C4' energy: -43.354
flat angles C4'-P-C4' energy: -55.973
flat angles P-C4'-P energy: -19.973
tors. eta vs tors. theta energy: -35.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -347.032140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.032140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.032140 (E_RNA)
where:
Base-Base interactions energy: -187.938
where: short stacking energy: -85.051
Base-Backbone interact. energy: -0.379
local terms energy: -158.714584
where:
bonds (distance) C4'-P energy: -41.671
bonds (distance) P-C4' energy: -49.978
flat angles C4'-P-C4' energy: -36.212
flat angles P-C4'-P energy: -26.275
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -960.528599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.528599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.528599 (E_RNA)
where:
Base-Base interactions energy: -674.596
where: short stacking energy: -276.807
Base-Backbone interact. energy: -1.027
local terms energy: -284.906339
where:
bonds (distance) C4'-P energy: -61.977
bonds (distance) P-C4' energy: -45.670
flat angles C4'-P-C4' energy: -62.141
flat angles P-C4'-P energy: -31.799
tors. eta vs tors. theta energy: -83.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -940.623692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.623692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.623692 (E_RNA)
where:
Base-Base interactions energy: -664.387
where: short stacking energy: -271.050
Base-Backbone interact. energy: -0.350
local terms energy: -275.886661
where:
bonds (distance) C4'-P energy: -47.854
bonds (distance) P-C4' energy: -48.238
flat angles C4'-P-C4' energy: -58.354
flat angles P-C4'-P energy: -40.976
tors. eta vs tors. theta energy: -80.466
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: 111
Temperature: 1.000000
Total energy: -880.208226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.208226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.208226 (E_RNA)
where:
Base-Base interactions energy: -615.423
where: short stacking energy: -254.898
Base-Backbone interact. energy: -2.173
local terms energy: -262.612080
where:
bonds (distance) C4'-P energy: -50.543
bonds (distance) P-C4' energy: -46.397
flat angles C4'-P-C4' energy: -50.265
flat angles P-C4'-P energy: -39.908
tors. eta vs tors. theta energy: -75.500
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: 10
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -884.535863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.535863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.535863 (E_RNA)
where:
Base-Base interactions energy: -644.693
where: short stacking energy: -242.551
Base-Backbone interact. energy: -0.177
local terms energy: -239.665719
where:
bonds (distance) C4'-P energy: -48.724
bonds (distance) P-C4' energy: -37.626
flat angles C4'-P-C4' energy: -44.822
flat angles P-C4'-P energy: -36.617
tors. eta vs tors. theta energy: -71.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -807.709332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.709332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.709332 (E_RNA)
where:
Base-Base interactions energy: -553.358
where: short stacking energy: -242.035
Base-Backbone interact. energy: -0.790
local terms energy: -253.561076
where:
bonds (distance) C4'-P energy: -46.974
bonds (distance) P-C4' energy: -53.112
flat angles C4'-P-C4' energy: -46.279
flat angles P-C4'-P energy: -43.515
tors. eta vs tors. theta energy: -63.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -774.414110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.414110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.414110 (E_RNA)
where:
Base-Base interactions energy: -532.186
where: short stacking energy: -209.899
Base-Backbone interact. energy: -1.314
local terms energy: -240.914492
where:
bonds (distance) C4'-P energy: -43.163
bonds (distance) P-C4' energy: -54.526
flat angles C4'-P-C4' energy: -52.561
flat angles P-C4'-P energy: -36.963
tors. eta vs tors. theta energy: -53.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -696.177009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.177009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.177009 (E_RNA)
where:
Base-Base interactions energy: -479.501
where: short stacking energy: -202.992
Base-Backbone interact. energy: -1.235
local terms energy: -215.441708
where:
bonds (distance) C4'-P energy: -45.467
bonds (distance) P-C4' energy: -50.505
flat angles C4'-P-C4' energy: -49.748
flat angles P-C4'-P energy: -26.729
tors. eta vs tors. theta energy: -42.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -692.961107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.961107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.961107 (E_RNA)
where:
Base-Base interactions energy: -474.336
where: short stacking energy: -196.718
Base-Backbone interact. energy: 0.284
local terms energy: -218.909044
where:
bonds (distance) C4'-P energy: -43.575
bonds (distance) P-C4' energy: -42.580
flat angles C4'-P-C4' energy: -52.681
flat angles P-C4'-P energy: -26.772
tors. eta vs tors. theta energy: -53.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -570.546681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.546681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.546681 (E_RNA)
where:
Base-Base interactions energy: -374.375
where: short stacking energy: -160.875
Base-Backbone interact. energy: -0.451
local terms energy: -195.721218
where:
bonds (distance) C4'-P energy: -46.086
bonds (distance) P-C4' energy: -42.243
flat angles C4'-P-C4' energy: -42.589
flat angles P-C4'-P energy: -26.203
tors. eta vs tors. theta energy: -38.600
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: 3
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -340.875001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.875001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.875001 (E_RNA)
where:
Base-Base interactions energy: -176.057
where: short stacking energy: -95.522
Base-Backbone interact. energy: -0.123
local terms energy: -164.695407
where:
bonds (distance) C4'-P energy: -50.474
bonds (distance) P-C4' energy: -46.891
flat angles C4'-P-C4' energy: -26.820
flat angles P-C4'-P energy: -30.831
tors. eta vs tors. theta energy: -9.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -969.961691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.961691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.961691 (E_RNA)
where:
Base-Base interactions energy: -673.432
where: short stacking energy: -275.381
Base-Backbone interact. energy: -2.148
local terms energy: -294.381882
where:
bonds (distance) C4'-P energy: -53.653
bonds (distance) P-C4' energy: -53.771
flat angles C4'-P-C4' energy: -65.441
flat angles P-C4'-P energy: -37.994
tors. eta vs tors. theta energy: -83.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -938.358804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.358804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.358804 (E_RNA)
where:
Base-Base interactions energy: -652.728
where: short stacking energy: -263.562
Base-Backbone interact. energy: -2.099
local terms energy: -283.531167
where:
bonds (distance) C4'-P energy: -50.635
bonds (distance) P-C4' energy: -51.861
flat angles C4'-P-C4' energy: -57.929
flat angles P-C4'-P energy: -38.941
tors. eta vs tors. theta energy: -84.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -921.058668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.058668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.058668 (E_RNA)
where:
Base-Base interactions energy: -658.373
where: short stacking energy: -257.524
Base-Backbone interact. energy: -0.652
local terms energy: -262.034545
where:
bonds (distance) C4'-P energy: -45.817
bonds (distance) P-C4' energy: -57.713
flat angles C4'-P-C4' energy: -53.995
flat angles P-C4'-P energy: -32.841
tors. eta vs tors. theta energy: -71.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -860.164121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.164121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.164121 (E_RNA)
where:
Base-Base interactions energy: -603.164
where: short stacking energy: -239.086
Base-Backbone interact. energy: 3.699
local terms energy: -260.699252
where:
bonds (distance) C4'-P energy: -50.677
bonds (distance) P-C4' energy: -52.230
flat angles C4'-P-C4' energy: -57.492
flat angles P-C4'-P energy: -35.842
tors. eta vs tors. theta energy: -64.458
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: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -804.487212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.487212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.487212 (E_RNA)
where:
Base-Base interactions energy: -552.116
where: short stacking energy: -209.565
Base-Backbone interact. energy: -1.456
local terms energy: -250.915157
where:
bonds (distance) C4'-P energy: -59.508
bonds (distance) P-C4' energy: -43.107
flat angles C4'-P-C4' energy: -50.907
flat angles P-C4'-P energy: -42.070
tors. eta vs tors. theta energy: -55.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -746.814167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.814167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.814167 (E_RNA)
where:
Base-Base interactions energy: -517.482
where: short stacking energy: -208.340
Base-Backbone interact. energy: -1.022
local terms energy: -228.310756
where:
bonds (distance) C4'-P energy: -47.441
bonds (distance) P-C4' energy: -41.809
flat angles C4'-P-C4' energy: -49.282
flat angles P-C4'-P energy: -37.889
tors. eta vs tors. theta energy: -51.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -687.559439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.559439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.559439 (E_RNA)
where:
Base-Base interactions energy: -477.413
where: short stacking energy: -210.448
Base-Backbone interact. energy: 2.505
local terms energy: -212.651056
where:
bonds (distance) C4'-P energy: -42.828
bonds (distance) P-C4' energy: -44.716
flat angles C4'-P-C4' energy: -42.719
flat angles P-C4'-P energy: -32.722
tors. eta vs tors. theta energy: -49.667
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: 7
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -668.180709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.180709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.180709 (E_RNA)
where:
Base-Base interactions energy: -463.776
where: short stacking energy: -182.566
Base-Backbone interact. energy: -5.519
local terms energy: -198.885695
where:
bonds (distance) C4'-P energy: -28.694
bonds (distance) P-C4' energy: -58.096
flat angles C4'-P-C4' energy: -42.366
flat angles P-C4'-P energy: -25.904
tors. eta vs tors. theta energy: -43.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -544.260268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.260268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.260268 (E_RNA)
where:
Base-Base interactions energy: -357.008
where: short stacking energy: -172.023
Base-Backbone interact. energy: -1.086
local terms energy: -186.166481
where:
bonds (distance) C4'-P energy: -37.452
bonds (distance) P-C4' energy: -35.465
flat angles C4'-P-C4' energy: -51.201
flat angles P-C4'-P energy: -27.111
tors. eta vs tors. theta energy: -34.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -361.887070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.887070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.887070 (E_RNA)
where:
Base-Base interactions energy: -197.992
where: short stacking energy: -106.108
Base-Backbone interact. energy: -0.681
local terms energy: -163.214000
where:
bonds (distance) C4'-P energy: -51.000
bonds (distance) P-C4' energy: -48.405
flat angles C4'-P-C4' energy: -34.135
flat angles P-C4'-P energy: -28.106
tors. eta vs tors. theta energy: -1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -981.953643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.953643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.953643 (E_RNA)
where:
Base-Base interactions energy: -685.407
where: short stacking energy: -278.989
Base-Backbone interact. energy: -4.042
local terms energy: -292.504242
where:
bonds (distance) C4'-P energy: -51.397
bonds (distance) P-C4' energy: -57.163
flat angles C4'-P-C4' energy: -61.539
flat angles P-C4'-P energy: -33.582
tors. eta vs tors. theta energy: -88.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -917.772262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.772262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.772262 (E_RNA)
where:
Base-Base interactions energy: -644.582
where: short stacking energy: -252.420
Base-Backbone interact. energy: -2.320
local terms energy: -270.869642
where:
bonds (distance) C4'-P energy: -41.555
bonds (distance) P-C4' energy: -57.171
flat angles C4'-P-C4' energy: -56.612
flat angles P-C4'-P energy: -43.586
tors. eta vs tors. theta energy: -71.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -898.052492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.052492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.052492 (E_RNA)
where:
Base-Base interactions energy: -615.474
where: short stacking energy: -245.478
Base-Backbone interact. energy: -1.782
local terms energy: -280.797367
where:
bonds (distance) C4'-P energy: -53.236
bonds (distance) P-C4' energy: -48.703
flat angles C4'-P-C4' energy: -58.783
flat angles P-C4'-P energy: -47.137
tors. eta vs tors. theta energy: -72.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -830.754720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.754720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.754720 (E_RNA)
where:
Base-Base interactions energy: -580.592
where: short stacking energy: -240.904
Base-Backbone interact. energy: -3.805
local terms energy: -246.357684
where:
bonds (distance) C4'-P energy: -45.112
bonds (distance) P-C4' energy: -44.696
flat angles C4'-P-C4' energy: -53.744
flat angles P-C4'-P energy: -39.224
tors. eta vs tors. theta energy: -63.581
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: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -834.200409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.200409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.200409 (E_RNA)
where:
Base-Base interactions energy: -555.097
where: short stacking energy: -224.575
Base-Backbone interact. energy: -1.733
local terms energy: -277.370152
where:
bonds (distance) C4'-P energy: -56.619
bonds (distance) P-C4' energy: -53.429
flat angles C4'-P-C4' energy: -58.146
flat angles P-C4'-P energy: -48.681
tors. eta vs tors. theta energy: -60.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -755.327645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.327645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.327645 (E_RNA)
where:
Base-Base interactions energy: -518.512
where: short stacking energy: -201.236
Base-Backbone interact. energy: -1.285
local terms energy: -235.531208
where:
bonds (distance) C4'-P energy: -47.025
bonds (distance) P-C4' energy: -60.032
flat angles C4'-P-C4' energy: -51.211
flat angles P-C4'-P energy: -18.711
tors. eta vs tors. theta energy: -58.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -702.506192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.506192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.506192 (E_RNA)
where:
Base-Base interactions energy: -487.050
where: short stacking energy: -212.833
Base-Backbone interact. energy: -0.147
local terms energy: -215.309920
where:
bonds (distance) C4'-P energy: -40.284
bonds (distance) P-C4' energy: -45.020
flat angles C4'-P-C4' energy: -53.186
flat angles P-C4'-P energy: -30.801
tors. eta vs tors. theta energy: -46.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -660.123790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.123790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.123790 (E_RNA)
where:
Base-Base interactions energy: -433.951
where: short stacking energy: -168.583
Base-Backbone interact. energy: -0.799
local terms energy: -225.373607
where:
bonds (distance) C4'-P energy: -38.974
bonds (distance) P-C4' energy: -55.187
flat angles C4'-P-C4' energy: -51.054
flat angles P-C4'-P energy: -32.892
tors. eta vs tors. theta energy: -47.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -558.594812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.594812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.594812 (E_RNA)
where:
Base-Base interactions energy: -339.336
where: short stacking energy: -149.197
Base-Backbone interact. energy: -1.271
local terms energy: -217.988208
where:
bonds (distance) C4'-P energy: -56.106
bonds (distance) P-C4' energy: -51.710
flat angles C4'-P-C4' energy: -50.264
flat angles P-C4'-P energy: -29.898
tors. eta vs tors. theta energy: -30.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -406.125399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.125399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.125399 (E_RNA)
where:
Base-Base interactions energy: -245.742
where: short stacking energy: -114.152
Base-Backbone interact. energy: -0.423
local terms energy: -159.960605
where:
bonds (distance) C4'-P energy: -43.544
bonds (distance) P-C4' energy: -45.170
flat angles C4'-P-C4' energy: -41.585
flat angles P-C4'-P energy: -27.431
tors. eta vs tors. theta energy: -2.230
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: 6
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -975.944939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.944939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.944939 (E_RNA)
where:
Base-Base interactions energy: -672.234
where: short stacking energy: -270.872
Base-Backbone interact. energy: -1.205
local terms energy: -302.505377
where:
bonds (distance) C4'-P energy: -57.723
bonds (distance) P-C4' energy: -50.600
flat angles C4'-P-C4' energy: -66.124
flat angles P-C4'-P energy: -42.689
tors. eta vs tors. theta energy: -85.369
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: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -946.062443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.062443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.062443 (E_RNA)
where:
Base-Base interactions energy: -662.526
where: short stacking energy: -269.398
Base-Backbone interact. energy: -2.182
local terms energy: -281.355226
where:
bonds (distance) C4'-P energy: -50.949
bonds (distance) P-C4' energy: -55.974
flat angles C4'-P-C4' energy: -54.168
flat angles P-C4'-P energy: -42.436
tors. eta vs tors. theta energy: -77.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -911.250047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.250047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.250047 (E_RNA)
where:
Base-Base interactions energy: -637.216
where: short stacking energy: -265.033
Base-Backbone interact. energy: 0.807
local terms energy: -274.841671
where:
bonds (distance) C4'-P energy: -48.389
bonds (distance) P-C4' energy: -57.838
flat angles C4'-P-C4' energy: -57.497
flat angles P-C4'-P energy: -32.342
tors. eta vs tors. theta energy: -78.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -827.622444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.622444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.622444 (E_RNA)
where:
Base-Base interactions energy: -567.317
where: short stacking energy: -224.350
Base-Backbone interact. energy: -1.340
local terms energy: -258.965959
where:
bonds (distance) C4'-P energy: -54.863
bonds (distance) P-C4' energy: -50.515
flat angles C4'-P-C4' energy: -58.541
flat angles P-C4'-P energy: -37.686
tors. eta vs tors. theta energy: -57.361
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: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -803.150802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.150802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.150802 (E_RNA)
where:
Base-Base interactions energy: -567.287
where: short stacking energy: -228.751
Base-Backbone interact. energy: 2.487
local terms energy: -238.349903
where:
bonds (distance) C4'-P energy: -42.475
bonds (distance) P-C4' energy: -46.755
flat angles C4'-P-C4' energy: -56.342
flat angles P-C4'-P energy: -33.492
tors. eta vs tors. theta energy: -59.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -777.701857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.701857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.701857 (E_RNA)
where:
Base-Base interactions energy: -533.115
where: short stacking energy: -232.269
Base-Backbone interact. energy: -0.952
local terms energy: -243.634280
where:
bonds (distance) C4'-P energy: -48.498
bonds (distance) P-C4' energy: -38.320
flat angles C4'-P-C4' energy: -50.710
flat angles P-C4'-P energy: -42.778
tors. eta vs tors. theta energy: -63.328
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: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -704.005406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.005406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.005406 (E_RNA)
where:
Base-Base interactions energy: -486.043
where: short stacking energy: -200.913
Base-Backbone interact. energy: 0.202
local terms energy: -218.164674
where:
bonds (distance) C4'-P energy: -35.777
bonds (distance) P-C4' energy: -55.202
flat angles C4'-P-C4' energy: -56.072
flat angles P-C4'-P energy: -29.239
tors. eta vs tors. theta energy: -41.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -668.667503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.667503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.667503 (E_RNA)
where:
Base-Base interactions energy: -466.335
where: short stacking energy: -186.179
Base-Backbone interact. energy: -2.183
local terms energy: -200.149330
where:
bonds (distance) C4'-P energy: -37.757
bonds (distance) P-C4' energy: -46.647
flat angles C4'-P-C4' energy: -44.327
flat angles P-C4'-P energy: -30.804
tors. eta vs tors. theta energy: -40.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -493.695677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.695677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.695677 (E_RNA)
where:
Base-Base interactions energy: -306.215
where: short stacking energy: -156.162
Base-Backbone interact. energy: -1.848
local terms energy: -185.632549
where:
bonds (distance) C4'-P energy: -42.929
bonds (distance) P-C4' energy: -44.484
flat angles C4'-P-C4' energy: -53.466
flat angles P-C4'-P energy: -21.540
tors. eta vs tors. theta energy: -23.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -404.984922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.984922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.984922 (E_RNA)
where:
Base-Base interactions energy: -245.498
where: short stacking energy: -138.947
Base-Backbone interact. energy: -0.833
local terms energy: -158.654038
where:
bonds (distance) C4'-P energy: -44.358
bonds (distance) P-C4' energy: -37.087
flat angles C4'-P-C4' energy: -34.950
flat angles P-C4'-P energy: -29.096
tors. eta vs tors. theta energy: -13.163
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: 6
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -993.434041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.434041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.434041 (E_RNA)
where:
Base-Base interactions energy: -694.881
where: short stacking energy: -280.212
Base-Backbone interact. energy: -2.506
local terms energy: -296.047132
where:
bonds (distance) C4'-P energy: -62.517
bonds (distance) P-C4' energy: -49.776
flat angles C4'-P-C4' energy: -60.786
flat angles P-C4'-P energy: -35.956
tors. eta vs tors. theta energy: -87.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -922.509262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.509262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.509262 (E_RNA)
where:
Base-Base interactions energy: -649.828
where: short stacking energy: -244.683
Base-Backbone interact. energy: 0.576
local terms energy: -273.257281
where:
bonds (distance) C4'-P energy: -55.044
bonds (distance) P-C4' energy: -45.971
flat angles C4'-P-C4' energy: -53.400
flat angles P-C4'-P energy: -42.650
tors. eta vs tors. theta energy: -76.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -914.472258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.472258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.472258 (E_RNA)
where:
Base-Base interactions energy: -638.849
where: short stacking energy: -249.315
Base-Backbone interact. energy: -2.828
local terms energy: -272.794490
where:
bonds (distance) C4'-P energy: -50.687
bonds (distance) P-C4' energy: -57.665
flat angles C4'-P-C4' energy: -49.195
flat angles P-C4'-P energy: -38.436
tors. eta vs tors. theta energy: -76.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -823.922857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.922857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.922857 (E_RNA)
where:
Base-Base interactions energy: -558.142
where: short stacking energy: -233.046
Base-Backbone interact. energy: 1.565
local terms energy: -267.345517
where:
bonds (distance) C4'-P energy: -55.105
bonds (distance) P-C4' energy: -52.629
flat angles C4'-P-C4' energy: -60.878
flat angles P-C4'-P energy: -37.126
tors. eta vs tors. theta energy: -61.608
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: 1
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -820.401127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.401127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.401127 (E_RNA)
where:
Base-Base interactions energy: -578.271
where: short stacking energy: -220.598
Base-Backbone interact. energy: -2.421
local terms energy: -239.709160
where:
bonds (distance) C4'-P energy: -53.266
bonds (distance) P-C4' energy: -49.010
flat angles C4'-P-C4' energy: -44.768
flat angles P-C4'-P energy: -37.749
tors. eta vs tors. theta energy: -54.917
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: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -761.773784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.773784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.773784 (E_RNA)
where:
Base-Base interactions energy: -528.329
where: short stacking energy: -209.159
Base-Backbone interact. energy: 0.313
local terms energy: -233.758516
where:
bonds (distance) C4'-P energy: -52.483
bonds (distance) P-C4' energy: -50.333
flat angles C4'-P-C4' energy: -52.692
flat angles P-C4'-P energy: -25.276
tors. eta vs tors. theta energy: -52.975
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: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -701.622735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.622735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.622735 (E_RNA)
where:
Base-Base interactions energy: -471.624
where: short stacking energy: -195.221
Base-Backbone interact. energy: 0.588
local terms energy: -230.586793
where:
bonds (distance) C4'-P energy: -43.020
bonds (distance) P-C4' energy: -51.516
flat angles C4'-P-C4' energy: -56.857
flat angles P-C4'-P energy: -41.811
tors. eta vs tors. theta energy: -37.383
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: 115
Temperature: 1.250000
Total energy: -707.360832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.360832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.360832 (E_RNA)
where:
Base-Base interactions energy: -491.617
where: short stacking energy: -207.982
Base-Backbone interact. energy: -0.061
local terms energy: -215.682844
where:
bonds (distance) C4'-P energy: -43.891
bonds (distance) P-C4' energy: -41.583
flat angles C4'-P-C4' energy: -43.972
flat angles P-C4'-P energy: -36.487
tors. eta vs tors. theta energy: -49.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -492.086924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.086924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.086924 (E_RNA)
where:
Base-Base interactions energy: -300.781
where: short stacking energy: -137.125
Base-Backbone interact. energy: -0.314
local terms energy: -190.991137
where:
bonds (distance) C4'-P energy: -46.112
bonds (distance) P-C4' energy: -50.387
flat angles C4'-P-C4' energy: -42.194
flat angles P-C4'-P energy: -29.400
tors. eta vs tors. theta energy: -22.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -436.799647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.799647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.799647 (E_RNA)
where:
Base-Base interactions energy: -263.323
where: short stacking energy: -132.794
Base-Backbone interact. energy: -1.147
local terms energy: -172.330051
where:
bonds (distance) C4'-P energy: -36.438
bonds (distance) P-C4' energy: -50.882
flat angles C4'-P-C4' energy: -34.875
flat angles P-C4'-P energy: -23.394
tors. eta vs tors. theta energy: -26.741
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: 10
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -955.969419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.969419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.969419 (E_RNA)
where:
Base-Base interactions energy: -673.115
where: short stacking energy: -275.833
Base-Backbone interact. energy: -1.113
local terms energy: -281.741169
where:
bonds (distance) C4'-P energy: -53.550
bonds (distance) P-C4' energy: -55.445
flat angles C4'-P-C4' energy: -59.569
flat angles P-C4'-P energy: -40.133
tors. eta vs tors. theta energy: -73.044
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: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -971.274473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.274473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.274473 (E_RNA)
where:
Base-Base interactions energy: -663.023
where: short stacking energy: -282.238
Base-Backbone interact. energy: -2.054
local terms energy: -306.197345
where:
bonds (distance) C4'-P energy: -52.306
bonds (distance) P-C4' energy: -58.616
flat angles C4'-P-C4' energy: -59.695
flat angles P-C4'-P energy: -47.156
tors. eta vs tors. theta energy: -88.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -914.409485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.409485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.409485 (E_RNA)
where:
Base-Base interactions energy: -634.850
where: short stacking energy: -253.664
Base-Backbone interact. energy: -3.113
local terms energy: -276.446260
where:
bonds (distance) C4'-P energy: -58.144
bonds (distance) P-C4' energy: -50.890
flat angles C4'-P-C4' energy: -55.042
flat angles P-C4'-P energy: -39.136
tors. eta vs tors. theta energy: -73.235
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: 2
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -813.596707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.596707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.596707 (E_RNA)
where:
Base-Base interactions energy: -553.436
where: short stacking energy: -230.606
Base-Backbone interact. energy: -0.975
local terms energy: -259.185675
where:
bonds (distance) C4'-P energy: -49.219
bonds (distance) P-C4' energy: -56.131
flat angles C4'-P-C4' energy: -47.494
flat angles P-C4'-P energy: -44.670
tors. eta vs tors. theta energy: -61.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -798.175933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.175933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.175933 (E_RNA)
where:
Base-Base interactions energy: -549.466
where: short stacking energy: -226.286
Base-Backbone interact. energy: -0.215
local terms energy: -248.495179
where:
bonds (distance) C4'-P energy: -54.556
bonds (distance) P-C4' energy: -50.550
flat angles C4'-P-C4' energy: -44.340
flat angles P-C4'-P energy: -37.684
tors. eta vs tors. theta energy: -61.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -767.701010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.701010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.701010 (E_RNA)
where:
Base-Base interactions energy: -538.868
where: short stacking energy: -220.724
Base-Backbone interact. energy: -1.434
local terms energy: -227.399485
where:
bonds (distance) C4'-P energy: -41.181
bonds (distance) P-C4' energy: -51.477
flat angles C4'-P-C4' energy: -49.095
flat angles P-C4'-P energy: -28.517
tors. eta vs tors. theta energy: -57.130
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: 7, replica: 7
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -691.472123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.472123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.472123 (E_RNA)
where:
Base-Base interactions energy: -465.178
where: short stacking energy: -197.054
Base-Backbone interact. energy: 0.278
local terms energy: -226.572721
where:
bonds (distance) C4'-P energy: -41.832
bonds (distance) P-C4' energy: -51.666
flat angles C4'-P-C4' energy: -48.206
flat angles P-C4'-P energy: -34.868
tors. eta vs tors. theta energy: -50.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -666.986288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.986288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.986288 (E_RNA)
where:
Base-Base interactions energy: -464.915
where: short stacking energy: -177.441
Base-Backbone interact. energy: -0.985
local terms energy: -201.087104
where:
bonds (distance) C4'-P energy: -54.402
bonds (distance) P-C4' energy: -43.377
flat angles C4'-P-C4' energy: -40.918
flat angles P-C4'-P energy: -25.849
tors. eta vs tors. theta energy: -36.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -523.581904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.581904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.581904 (E_RNA)
where:
Base-Base interactions energy: -332.747
where: short stacking energy: -152.062
Base-Backbone interact. energy: -1.842
local terms energy: -188.993678
where:
bonds (distance) C4'-P energy: -34.742
bonds (distance) P-C4' energy: -52.119
flat angles C4'-P-C4' energy: -48.506
flat angles P-C4'-P energy: -21.888
tors. eta vs tors. theta energy: -31.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -447.338533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.338533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.338533 (E_RNA)
where:
Base-Base interactions energy: -273.132
where: short stacking energy: -125.195
Base-Backbone interact. energy: 1.491
local terms energy: -175.697775
where:
bonds (distance) C4'-P energy: -50.650
bonds (distance) P-C4' energy: -43.495
flat angles C4'-P-C4' energy: -41.191
flat angles P-C4'-P energy: -27.787
tors. eta vs tors. theta energy: -12.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -960.119146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.119146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.119146 (E_RNA)
where:
Base-Base interactions energy: -676.142
where: short stacking energy: -289.360
Base-Backbone interact. energy: -0.717
local terms energy: -283.260241
where:
bonds (distance) C4'-P energy: -51.850
bonds (distance) P-C4' energy: -52.354
flat angles C4'-P-C4' energy: -61.371
flat angles P-C4'-P energy: -40.311
tors. eta vs tors. theta energy: -77.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -964.456164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.456164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.456164 (E_RNA)
where:
Base-Base interactions energy: -675.443
where: short stacking energy: -280.369
Base-Backbone interact. energy: -2.280
local terms energy: -286.733369
where:
bonds (distance) C4'-P energy: -41.391
bonds (distance) P-C4' energy: -53.054
flat angles C4'-P-C4' energy: -65.679
flat angles P-C4'-P energy: -41.860
tors. eta vs tors. theta energy: -84.750
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: 3, replica: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -937.349051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.349051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.349051 (E_RNA)
where:
Base-Base interactions energy: -649.539
where: short stacking energy: -272.611
Base-Backbone interact. energy: -1.471
local terms energy: -286.339681
where:
bonds (distance) C4'-P energy: -45.324
bonds (distance) P-C4' energy: -54.248
flat angles C4'-P-C4' energy: -62.121
flat angles P-C4'-P energy: -41.274
tors. eta vs tors. theta energy: -83.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -817.644114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.644114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.644114 (E_RNA)
where:
Base-Base interactions energy: -561.594
where: short stacking energy: -220.463
Base-Backbone interact. energy: -0.617
local terms energy: -255.433001
where:
bonds (distance) C4'-P energy: -43.857
bonds (distance) P-C4' energy: -52.583
flat angles C4'-P-C4' energy: -54.957
flat angles P-C4'-P energy: -39.386
tors. eta vs tors. theta energy: -64.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -819.473674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.473674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.473674 (E_RNA)
where:
Base-Base interactions energy: -583.322
where: short stacking energy: -228.015
Base-Backbone interact. energy: -0.712
local terms energy: -235.439553
where:
bonds (distance) C4'-P energy: -52.693
bonds (distance) P-C4' energy: -46.326
flat angles C4'-P-C4' energy: -42.529
flat angles P-C4'-P energy: -35.648
tors. eta vs tors. theta energy: -58.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -775.299354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.299354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.299354 (E_RNA)
where:
Base-Base interactions energy: -529.282
where: short stacking energy: -231.071
Base-Backbone interact. energy: -1.533
local terms energy: -244.484096
where:
bonds (distance) C4'-P energy: -47.742
bonds (distance) P-C4' energy: -46.291
flat angles C4'-P-C4' energy: -57.857
flat angles P-C4'-P energy: -32.223
tors. eta vs tors. theta energy: -60.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -730.036385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.036385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.036385 (E_RNA)
where:
Base-Base interactions energy: -518.264
where: short stacking energy: -219.840
Base-Backbone interact. energy: 0.330
local terms energy: -212.102998
where:
bonds (distance) C4'-P energy: -45.776
bonds (distance) P-C4' energy: -41.341
flat angles C4'-P-C4' energy: -46.697
flat angles P-C4'-P energy: -29.707
tors. eta vs tors. theta energy: -48.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -647.762758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.762758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.762758 (E_RNA)
where:
Base-Base interactions energy: -435.972
where: short stacking energy: -192.562
Base-Backbone interact. energy: -0.687
local terms energy: -211.103890
where:
bonds (distance) C4'-P energy: -37.155
bonds (distance) P-C4' energy: -51.722
flat angles C4'-P-C4' energy: -47.625
flat angles P-C4'-P energy: -31.789
tors. eta vs tors. theta energy: -42.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -577.582919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.582919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.582919 (E_RNA)
where:
Base-Base interactions energy: -371.735
where: short stacking energy: -163.570
Base-Backbone interact. energy: -0.542
local terms energy: -205.305672
where:
bonds (distance) C4'-P energy: -45.011
bonds (distance) P-C4' energy: -40.019
flat angles C4'-P-C4' energy: -47.331
flat angles P-C4'-P energy: -32.403
tors. eta vs tors. theta energy: -40.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -465.421333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.421333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.421333 (E_RNA)
where:
Base-Base interactions energy: -282.246
where: short stacking energy: -132.796
Base-Backbone interact. energy: -0.490
local terms energy: -182.684729
where:
bonds (distance) C4'-P energy: -52.688
bonds (distance) P-C4' energy: -44.975
flat angles C4'-P-C4' energy: -47.686
flat angles P-C4'-P energy: -16.889
tors. eta vs tors. theta energy: -20.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -965.877169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.877169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.877169 (E_RNA)
where:
Base-Base interactions energy: -669.964
where: short stacking energy: -276.660
Base-Backbone interact. energy: -2.946
local terms energy: -292.967255
where:
bonds (distance) C4'-P energy: -54.837
bonds (distance) P-C4' energy: -54.949
flat angles C4'-P-C4' energy: -63.782
flat angles P-C4'-P energy: -41.924
tors. eta vs tors. theta energy: -77.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -931.762594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.762594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.762594 (E_RNA)
where:
Base-Base interactions energy: -651.203
where: short stacking energy: -257.163
Base-Backbone interact. energy: 1.237
local terms energy: -281.796823
where:
bonds (distance) C4'-P energy: -53.008
bonds (distance) P-C4' energy: -61.644
flat angles C4'-P-C4' energy: -55.640
flat angles P-C4'-P energy: -37.354
tors. eta vs tors. theta energy: -74.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -932.851060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.851060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.851060 (E_RNA)
where:
Base-Base interactions energy: -638.033
where: short stacking energy: -261.239
Base-Backbone interact. energy: -0.643
local terms energy: -294.175599
where:
bonds (distance) C4'-P energy: -57.578
bonds (distance) P-C4' energy: -54.616
flat angles C4'-P-C4' energy: -60.545
flat angles P-C4'-P energy: -38.284
tors. eta vs tors. theta energy: -83.153
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: 4, replica: 2
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -846.859591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.859591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.859591 (E_RNA)
where:
Base-Base interactions energy: -579.061
where: short stacking energy: -243.014
Base-Backbone interact. energy: -0.093
local terms energy: -267.705220
where:
bonds (distance) C4'-P energy: -46.759
bonds (distance) P-C4' energy: -53.176
flat angles C4'-P-C4' energy: -54.080
flat angles P-C4'-P energy: -43.792
tors. eta vs tors. theta energy: -69.897
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: 5
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -799.014816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.014816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.014816 (E_RNA)
where:
Base-Base interactions energy: -550.961
where: short stacking energy: -225.225
Base-Backbone interact. energy: -2.219
local terms energy: -245.834887
where:
bonds (distance) C4'-P energy: -50.133
bonds (distance) P-C4' energy: -46.395
flat angles C4'-P-C4' energy: -58.289
flat angles P-C4'-P energy: -35.514
tors. eta vs tors. theta energy: -55.503
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: 1
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -798.771406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.771406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.771406 (E_RNA)
where:
Base-Base interactions energy: -553.497
where: short stacking energy: -222.827
Base-Backbone interact. energy: -2.499
local terms energy: -242.775558
where:
bonds (distance) C4'-P energy: -47.029
bonds (distance) P-C4' energy: -48.563
flat angles C4'-P-C4' energy: -57.413
flat angles P-C4'-P energy: -36.243
tors. eta vs tors. theta energy: -53.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -723.242656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.242656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.242656 (E_RNA)
where:
Base-Base interactions energy: -503.272
where: short stacking energy: -194.015
Base-Backbone interact. energy: -1.573
local terms energy: -218.398082
where:
bonds (distance) C4'-P energy: -40.912
bonds (distance) P-C4' energy: -47.638
flat angles C4'-P-C4' energy: -52.417
flat angles P-C4'-P energy: -34.680
tors. eta vs tors. theta energy: -42.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -679.201479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.201479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.201479 (E_RNA)
where:
Base-Base interactions energy: -472.375
where: short stacking energy: -206.955
Base-Backbone interact. energy: -0.219
local terms energy: -206.606916
where:
bonds (distance) C4'-P energy: -40.613
bonds (distance) P-C4' energy: -43.087
flat angles C4'-P-C4' energy: -42.767
flat angles P-C4'-P energy: -27.116
tors. eta vs tors. theta energy: -53.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -563.358251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.358251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.358251 (E_RNA)
where:
Base-Base interactions energy: -378.725
where: short stacking energy: -154.906
Base-Backbone interact. energy: -0.791
local terms energy: -183.841790
where:
bonds (distance) C4'-P energy: -35.863
bonds (distance) P-C4' energy: -50.097
flat angles C4'-P-C4' energy: -45.384
flat angles P-C4'-P energy: -29.428
tors. eta vs tors. theta energy: -23.070
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: 3
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -447.472252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.472252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.472252 (E_RNA)
where:
Base-Base interactions energy: -272.979
where: short stacking energy: -130.554
Base-Backbone interact. energy: 2.982
local terms energy: -177.474921
where:
bonds (distance) C4'-P energy: -49.007
bonds (distance) P-C4' energy: -43.918
flat angles C4'-P-C4' energy: -35.635
flat angles P-C4'-P energy: -35.315
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -972.194704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.194704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.194704 (E_RNA)
where:
Base-Base interactions energy: -677.001
where: short stacking energy: -277.850
Base-Backbone interact. energy: -3.014
local terms energy: -292.179629
where:
bonds (distance) C4'-P energy: -51.472
bonds (distance) P-C4' energy: -55.456
flat angles C4'-P-C4' energy: -60.639
flat angles P-C4'-P energy: -45.178
tors. eta vs tors. theta energy: -79.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -960.548079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.548079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.548079 (E_RNA)
where:
Base-Base interactions energy: -670.861
where: short stacking energy: -272.062
Base-Backbone interact. energy: -2.614
local terms energy: -287.073584
where:
bonds (distance) C4'-P energy: -54.073
bonds (distance) P-C4' energy: -52.109
flat angles C4'-P-C4' energy: -54.685
flat angles P-C4'-P energy: -39.493
tors. eta vs tors. theta energy: -86.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -915.903094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.903094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.903094 (E_RNA)
where:
Base-Base interactions energy: -643.271
where: short stacking energy: -260.062
Base-Backbone interact. energy: -1.778
local terms energy: -270.854359
where:
bonds (distance) C4'-P energy: -38.784
bonds (distance) P-C4' energy: -52.581
flat angles C4'-P-C4' energy: -57.428
flat angles P-C4'-P energy: -41.856
tors. eta vs tors. theta energy: -80.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -855.823706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.823706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.823706 (E_RNA)
where:
Base-Base interactions energy: -603.269
where: short stacking energy: -251.263
Base-Backbone interact. energy: -0.802
local terms energy: -251.752785
where:
bonds (distance) C4'-P energy: -46.747
bonds (distance) P-C4' energy: -47.004
flat angles C4'-P-C4' energy: -58.578
flat angles P-C4'-P energy: -35.041
tors. eta vs tors. theta energy: -64.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -795.688761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.688761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.688761 (E_RNA)
where:
Base-Base interactions energy: -554.855
where: short stacking energy: -231.888
Base-Backbone interact. energy: -1.295
local terms energy: -239.538858
where:
bonds (distance) C4'-P energy: -49.528
bonds (distance) P-C4' energy: -53.479
flat angles C4'-P-C4' energy: -50.872
flat angles P-C4'-P energy: -32.652
tors. eta vs tors. theta energy: -53.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -814.098540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.098540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.098540 (E_RNA)
where:
Base-Base interactions energy: -575.856
where: short stacking energy: -228.096
Base-Backbone interact. energy: -0.601
local terms energy: -237.641462
where:
bonds (distance) C4'-P energy: -44.302
bonds (distance) P-C4' energy: -50.397
flat angles C4'-P-C4' energy: -45.113
flat angles P-C4'-P energy: -36.166
tors. eta vs tors. theta energy: -61.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -718.039149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.039149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.039149 (E_RNA)
where:
Base-Base interactions energy: -496.044
where: short stacking energy: -193.839
Base-Backbone interact. energy: -0.467
local terms energy: -221.527965
where:
bonds (distance) C4'-P energy: -46.046
bonds (distance) P-C4' energy: -46.208
flat angles C4'-P-C4' energy: -52.025
flat angles P-C4'-P energy: -34.287
tors. eta vs tors. theta energy: -42.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -693.342117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.342117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.342117 (E_RNA)
where:
Base-Base interactions energy: -475.374
where: short stacking energy: -202.183
Base-Backbone interact. energy: -2.023
local terms energy: -215.945336
where:
bonds (distance) C4'-P energy: -36.773
bonds (distance) P-C4' energy: -45.938
flat angles C4'-P-C4' energy: -54.851
flat angles P-C4'-P energy: -34.425
tors. eta vs tors. theta energy: -43.957
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: 9, replica: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -552.833773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.833773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.833773 (E_RNA)
where:
Base-Base interactions energy: -352.605
where: short stacking energy: -170.650
Base-Backbone interact. energy: -0.553
local terms energy: -199.676184
where:
bonds (distance) C4'-P energy: -31.177
bonds (distance) P-C4' energy: -47.897
flat angles C4'-P-C4' energy: -49.644
flat angles P-C4'-P energy: -36.142
tors. eta vs tors. theta energy: -34.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -430.869249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.869249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.869249 (E_RNA)
where:
Base-Base interactions energy: -273.349
where: short stacking energy: -133.333
Base-Backbone interact. energy: 0.052
local terms energy: -157.572500
where:
bonds (distance) C4'-P energy: -49.525
bonds (distance) P-C4' energy: -34.429
flat angles C4'-P-C4' energy: -39.461
flat angles P-C4'-P energy: -20.491
tors. eta vs tors. theta energy: -13.666
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: 1, replica: 4
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -972.861499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.861499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.861499 (E_RNA)
where:
Base-Base interactions energy: -675.155
where: short stacking energy: -275.826
Base-Backbone interact. energy: -1.484
local terms energy: -296.222550
where:
bonds (distance) C4'-P energy: -59.437
bonds (distance) P-C4' energy: -48.864
flat angles C4'-P-C4' energy: -54.416
flat angles P-C4'-P energy: -46.489
tors. eta vs tors. theta energy: -87.016
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: 6
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -943.366469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.366469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.366469 (E_RNA)
where:
Base-Base interactions energy: -661.268
where: short stacking energy: -258.909
Base-Backbone interact. energy: -1.784
local terms energy: -280.314344
where:
bonds (distance) C4'-P energy: -51.570
bonds (distance) P-C4' energy: -55.853
flat angles C4'-P-C4' energy: -59.687
flat angles P-C4'-P energy: -36.410
tors. eta vs tors. theta energy: -76.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -928.616283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.616283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.616283 (E_RNA)
where:
Base-Base interactions energy: -653.996
where: short stacking energy: -269.935
Base-Backbone interact. energy: -1.391
local terms energy: -273.228861
where:
bonds (distance) C4'-P energy: -45.862
bonds (distance) P-C4' energy: -55.319
flat angles C4'-P-C4' energy: -53.955
flat angles P-C4'-P energy: -41.851
tors. eta vs tors. theta energy: -76.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -830.224925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.224925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.224925 (E_RNA)
where:
Base-Base interactions energy: -569.386
where: short stacking energy: -237.800
Base-Backbone interact. energy: -0.756
local terms energy: -260.082682
where:
bonds (distance) C4'-P energy: -52.976
bonds (distance) P-C4' energy: -57.902
flat angles C4'-P-C4' energy: -50.703
flat angles P-C4'-P energy: -37.562
tors. eta vs tors. theta energy: -60.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -821.598421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.598421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.598421 (E_RNA)
where:
Base-Base interactions energy: -568.143
where: short stacking energy: -225.403
Base-Backbone interact. energy: -1.152
local terms energy: -252.304007
where:
bonds (distance) C4'-P energy: -46.314
bonds (distance) P-C4' energy: -48.615
flat angles C4'-P-C4' energy: -48.941
flat angles P-C4'-P energy: -44.131
tors. eta vs tors. theta energy: -64.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -755.851005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.851005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.851005 (E_RNA)
where:
Base-Base interactions energy: -528.464
where: short stacking energy: -211.691
Base-Backbone interact. energy: 0.488
local terms energy: -227.875063
where:
bonds (distance) C4'-P energy: -45.326
bonds (distance) P-C4' energy: -50.031
flat angles C4'-P-C4' energy: -50.644
flat angles P-C4'-P energy: -36.794
tors. eta vs tors. theta energy: -45.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -753.992356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.992356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.992356 (E_RNA)
where:
Base-Base interactions energy: -536.377
where: short stacking energy: -215.933
Base-Backbone interact. energy: -0.239
local terms energy: -217.376373
where:
bonds (distance) C4'-P energy: -43.707
bonds (distance) P-C4' energy: -40.004
flat angles C4'-P-C4' energy: -51.168
flat angles P-C4'-P energy: -28.161
tors. eta vs tors. theta energy: -54.337
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: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -675.939634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.939634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.939634 (E_RNA)
where:
Base-Base interactions energy: -468.183
where: short stacking energy: -195.316
Base-Backbone interact. energy: -1.603
local terms energy: -206.153713
where:
bonds (distance) C4'-P energy: -47.820
bonds (distance) P-C4' energy: -45.387
flat angles C4'-P-C4' energy: -46.424
flat angles P-C4'-P energy: -24.649
tors. eta vs tors. theta energy: -41.873
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: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -531.923900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.923900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.923900 (E_RNA)
where:
Base-Base interactions energy: -336.653
where: short stacking energy: -161.210
Base-Backbone interact. energy: -0.463
local terms energy: -194.808086
where:
bonds (distance) C4'-P energy: -38.560
bonds (distance) P-C4' energy: -47.344
flat angles C4'-P-C4' energy: -35.888
flat angles P-C4'-P energy: -38.726
tors. eta vs tors. theta energy: -34.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -381.934113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.934113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.934113 (E_RNA)
where:
Base-Base interactions energy: -214.037
where: short stacking energy: -106.010
Base-Backbone interact. energy: -1.888
local terms energy: -166.009300
where:
bonds (distance) C4'-P energy: -43.557
bonds (distance) P-C4' energy: -48.449
flat angles C4'-P-C4' energy: -43.014
flat angles P-C4'-P energy: -21.627
tors. eta vs tors. theta energy: -9.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -978.551437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.551437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.551437 (E_RNA)
where:
Base-Base interactions energy: -666.279
where: short stacking energy: -281.468
Base-Backbone interact. energy: -2.553
local terms energy: -309.719421
where:
bonds (distance) C4'-P energy: -56.854
bonds (distance) P-C4' energy: -57.609
flat angles C4'-P-C4' energy: -61.630
flat angles P-C4'-P energy: -46.673
tors. eta vs tors. theta energy: -86.953
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: 2, replica: 6
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -936.714562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.714562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.714562 (E_RNA)
where:
Base-Base interactions energy: -657.970
where: short stacking energy: -263.409
Base-Backbone interact. energy: -2.510
local terms energy: -276.234439
where:
bonds (distance) C4'-P energy: -48.815
bonds (distance) P-C4' energy: -48.680
flat angles C4'-P-C4' energy: -56.806
flat angles P-C4'-P energy: -46.546
tors. eta vs tors. theta energy: -75.387
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: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -925.315580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.315580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.315580 (E_RNA)
where:
Base-Base interactions energy: -639.446
where: short stacking energy: -247.167
Base-Backbone interact. energy: -1.359
local terms energy: -284.510420
where:
bonds (distance) C4'-P energy: -51.717
bonds (distance) P-C4' energy: -52.882
flat angles C4'-P-C4' energy: -59.117
flat angles P-C4'-P energy: -44.606
tors. eta vs tors. theta energy: -76.190
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: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -853.375551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.375551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.375551 (E_RNA)
where:
Base-Base interactions energy: -606.816
where: short stacking energy: -249.564
Base-Backbone interact. energy: -1.769
local terms energy: -244.790128
where:
bonds (distance) C4'-P energy: -42.457
bonds (distance) P-C4' energy: -46.092
flat angles C4'-P-C4' energy: -55.863
flat angles P-C4'-P energy: -36.906
tors. eta vs tors. theta energy: -63.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -834.682651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.682651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.682651 (E_RNA)
where:
Base-Base interactions energy: -586.508
where: short stacking energy: -226.547
Base-Backbone interact. energy: 0.688
local terms energy: -248.862230
where:
bonds (distance) C4'-P energy: -48.595
bonds (distance) P-C4' energy: -49.165
flat angles C4'-P-C4' energy: -53.906
flat angles P-C4'-P energy: -39.187
tors. eta vs tors. theta energy: -58.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -763.725733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.725733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.725733 (E_RNA)
where:
Base-Base interactions energy: -526.958
where: short stacking energy: -231.399
Base-Backbone interact. energy: 1.627
local terms energy: -238.394338
where:
bonds (distance) C4'-P energy: -39.756
bonds (distance) P-C4' energy: -45.897
flat angles C4'-P-C4' energy: -57.829
flat angles P-C4'-P energy: -35.552
tors. eta vs tors. theta energy: -59.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -718.758026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.758026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.758026 (E_RNA)
where:
Base-Base interactions energy: -501.953
where: short stacking energy: -209.720
Base-Backbone interact. energy: 4.673
local terms energy: -221.477808
where:
bonds (distance) C4'-P energy: -41.349
bonds (distance) P-C4' energy: -41.510
flat angles C4'-P-C4' energy: -53.689
flat angles P-C4'-P energy: -34.385
tors. eta vs tors. theta energy: -50.545
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: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -678.198935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.198935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.198935 (E_RNA)
where:
Base-Base interactions energy: -465.867
where: short stacking energy: -205.331
Base-Backbone interact. energy: -0.435
local terms energy: -211.896844
where:
bonds (distance) C4'-P energy: -47.150
bonds (distance) P-C4' energy: -32.128
flat angles C4'-P-C4' energy: -52.947
flat angles P-C4'-P energy: -32.842
tors. eta vs tors. theta energy: -46.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -568.652690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.652690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.652690 (E_RNA)
where:
Base-Base interactions energy: -362.706
where: short stacking energy: -167.916
Base-Backbone interact. energy: -1.816
local terms energy: -204.129975
where:
bonds (distance) C4'-P energy: -43.120
bonds (distance) P-C4' energy: -54.296
flat angles C4'-P-C4' energy: -42.842
flat angles P-C4'-P energy: -25.749
tors. eta vs tors. theta energy: -38.123
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: 3
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -413.085694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.085694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.085694 (E_RNA)
where:
Base-Base interactions energy: -236.280
where: short stacking energy: -117.228
Base-Backbone interact. energy: -0.096
local terms energy: -176.710386
where:
bonds (distance) C4'-P energy: -35.380
bonds (distance) P-C4' energy: -42.389
flat angles C4'-P-C4' energy: -46.314
flat angles P-C4'-P energy: -34.802
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -985.303232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.303232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.303232 (E_RNA)
where:
Base-Base interactions energy: -678.518
where: short stacking energy: -276.696
Base-Backbone interact. energy: 1.518
local terms energy: -308.302603
where:
bonds (distance) C4'-P energy: -61.619
bonds (distance) P-C4' energy: -61.013
flat angles C4'-P-C4' energy: -61.438
flat angles P-C4'-P energy: -42.375
tors. eta vs tors. theta energy: -81.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -935.252650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.252650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.252650 (E_RNA)
where:
Base-Base interactions energy: -648.724
where: short stacking energy: -259.581
Base-Backbone interact. energy: -2.540
local terms energy: -283.988671
where:
bonds (distance) C4'-P energy: -54.708
bonds (distance) P-C4' energy: -47.120
flat angles C4'-P-C4' energy: -54.710
flat angles P-C4'-P energy: -50.527
tors. eta vs tors. theta energy: -76.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -925.281677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.281677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.281677 (E_RNA)
where:
Base-Base interactions energy: -655.538
where: short stacking energy: -262.446
Base-Backbone interact. energy: -0.064
local terms energy: -269.679928
where:
bonds (distance) C4'-P energy: -40.878
bonds (distance) P-C4' energy: -53.210
flat angles C4'-P-C4' energy: -62.328
flat angles P-C4'-P energy: -38.797
tors. eta vs tors. theta energy: -74.466
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: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -840.156224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.156224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.156224 (E_RNA)
where:
Base-Base interactions energy: -583.614
where: short stacking energy: -239.497
Base-Backbone interact. energy: -1.863
local terms energy: -254.679027
where:
bonds (distance) C4'-P energy: -44.752
bonds (distance) P-C4' energy: -48.288
flat angles C4'-P-C4' energy: -58.992
flat angles P-C4'-P energy: -39.998
tors. eta vs tors. theta energy: -62.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -851.657073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.657073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.657073 (E_RNA)
where:
Base-Base interactions energy: -612.720
where: short stacking energy: -228.813
Base-Backbone interact. energy: -1.984
local terms energy: -236.953151
where:
bonds (distance) C4'-P energy: -43.302
bonds (distance) P-C4' energy: -44.085
flat angles C4'-P-C4' energy: -45.510
flat angles P-C4'-P energy: -43.211
tors. eta vs tors. theta energy: -60.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -800.262310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.262310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.262310 (E_RNA)
where:
Base-Base interactions energy: -567.562
where: short stacking energy: -237.013
Base-Backbone interact. energy: -0.274
local terms energy: -232.426151
where:
bonds (distance) C4'-P energy: -41.610
bonds (distance) P-C4' energy: -43.152
flat angles C4'-P-C4' energy: -50.177
flat angles P-C4'-P energy: -40.288
tors. eta vs tors. theta energy: -57.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -736.076151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.076151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.076151 (E_RNA)
where:
Base-Base interactions energy: -508.770
where: short stacking energy: -201.277
Base-Backbone interact. energy: -0.849
local terms energy: -226.457768
where:
bonds (distance) C4'-P energy: -45.607
bonds (distance) P-C4' energy: -50.830
flat angles C4'-P-C4' energy: -53.847
flat angles P-C4'-P energy: -36.909
tors. eta vs tors. theta energy: -39.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -678.438811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.438811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.438811 (E_RNA)
where:
Base-Base interactions energy: -469.717
where: short stacking energy: -211.903
Base-Backbone interact. energy: -0.473
local terms energy: -208.249092
where:
bonds (distance) C4'-P energy: -39.312
bonds (distance) P-C4' energy: -51.849
flat angles C4'-P-C4' energy: -38.256
flat angles P-C4'-P energy: -22.355
tors. eta vs tors. theta energy: -56.478
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: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -542.946296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.946296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.946296 (E_RNA)
where:
Base-Base interactions energy: -342.728
where: short stacking energy: -157.676
Base-Backbone interact. energy: 0.464
local terms energy: -200.682490
where:
bonds (distance) C4'-P energy: -45.570
bonds (distance) P-C4' energy: -42.315
flat angles C4'-P-C4' energy: -43.372
flat angles P-C4'-P energy: -30.214
tors. eta vs tors. theta energy: -39.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -507.128489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.128489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.128489 (E_RNA)
where:
Base-Base interactions energy: -307.230
where: short stacking energy: -137.302
Base-Backbone interact. energy: -0.079
local terms energy: -199.819544
where:
bonds (distance) C4'-P energy: -45.756
bonds (distance) P-C4' energy: -48.971
flat angles C4'-P-C4' energy: -43.334
flat angles P-C4'-P energy: -37.176
tors. eta vs tors. theta energy: -24.582
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: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -990.308547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.308547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.308547 (E_RNA)
where:
Base-Base interactions energy: -688.704
where: short stacking energy: -272.089
Base-Backbone interact. energy: -1.795
local terms energy: -299.809588
where:
bonds (distance) C4'-P energy: -61.364
bonds (distance) P-C4' energy: -44.396
flat angles C4'-P-C4' energy: -62.102
flat angles P-C4'-P energy: -40.799
tors. eta vs tors. theta energy: -91.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -933.615002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.615002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.615002 (E_RNA)
where:
Base-Base interactions energy: -649.718
where: short stacking energy: -261.011
Base-Backbone interact. energy: -3.202
local terms energy: -280.694811
where:
bonds (distance) C4'-P energy: -42.784
bonds (distance) P-C4' energy: -57.536
flat angles C4'-P-C4' energy: -62.031
flat angles P-C4'-P energy: -36.559
tors. eta vs tors. theta energy: -81.785
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: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -940.840422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.840422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.840422 (E_RNA)
where:
Base-Base interactions energy: -663.013
where: short stacking energy: -257.529
Base-Backbone interact. energy: 1.342
local terms energy: -279.169317
where:
bonds (distance) C4'-P energy: -50.691
bonds (distance) P-C4' energy: -56.553
flat angles C4'-P-C4' energy: -54.338
flat angles P-C4'-P energy: -38.022
tors. eta vs tors. theta energy: -79.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -851.947225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.947225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.947225 (E_RNA)
where:
Base-Base interactions energy: -599.418
where: short stacking energy: -245.534
Base-Backbone interact. energy: -1.451
local terms energy: -251.079081
where:
bonds (distance) C4'-P energy: -40.913
bonds (distance) P-C4' energy: -58.335
flat angles C4'-P-C4' energy: -57.899
flat angles P-C4'-P energy: -33.978
tors. eta vs tors. theta energy: -59.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -806.193349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.193349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.193349 (E_RNA)
where:
Base-Base interactions energy: -566.191
where: short stacking energy: -232.693
Base-Backbone interact. energy: -0.148
local terms energy: -239.853517
where:
bonds (distance) C4'-P energy: -47.751
bonds (distance) P-C4' energy: -41.805
flat angles C4'-P-C4' energy: -46.201
flat angles P-C4'-P energy: -37.912
tors. eta vs tors. theta energy: -66.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -771.488415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.488415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.488415 (E_RNA)
where:
Base-Base interactions energy: -526.356
where: short stacking energy: -216.745
Base-Backbone interact. energy: -0.602
local terms energy: -244.531060
where:
bonds (distance) C4'-P energy: -51.923
bonds (distance) P-C4' energy: -56.036
flat angles C4'-P-C4' energy: -55.554
flat angles P-C4'-P energy: -30.211
tors. eta vs tors. theta energy: -50.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -743.952049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.952049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.952049 (E_RNA)
where:
Base-Base interactions energy: -509.965
where: short stacking energy: -218.623
Base-Backbone interact. energy: -1.540
local terms energy: -232.446888
where:
bonds (distance) C4'-P energy: -54.260
bonds (distance) P-C4' energy: -45.105
flat angles C4'-P-C4' energy: -44.575
flat angles P-C4'-P energy: -36.821
tors. eta vs tors. theta energy: -51.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -677.810689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.810689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.810689 (E_RNA)
where:
Base-Base interactions energy: -480.034
where: short stacking energy: -204.948
Base-Backbone interact. energy: -0.738
local terms energy: -197.038946
where:
bonds (distance) C4'-P energy: -31.477
bonds (distance) P-C4' energy: -49.435
flat angles C4'-P-C4' energy: -57.121
flat angles P-C4'-P energy: -23.568
tors. eta vs tors. theta energy: -35.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -513.817715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.817715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.817715 (E_RNA)
where:
Base-Base interactions energy: -315.478
where: short stacking energy: -146.403
Base-Backbone interact. energy: 0.896
local terms energy: -199.236545
where:
bonds (distance) C4'-P energy: -47.351
bonds (distance) P-C4' energy: -43.220
flat angles C4'-P-C4' energy: -41.406
flat angles P-C4'-P energy: -35.767
tors. eta vs tors. theta energy: -31.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -555.522665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.522665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.522665 (E_RNA)
where:
Base-Base interactions energy: -364.076
where: short stacking energy: -157.502
Base-Backbone interact. energy: -0.021
local terms energy: -191.425276
where:
bonds (distance) C4'-P energy: -40.577
bonds (distance) P-C4' energy: -45.115
flat angles C4'-P-C4' energy: -44.184
flat angles P-C4'-P energy: -23.878
tors. eta vs tors. theta energy: -37.672
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: 4
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -986.835489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.835489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.835489 (E_RNA)
where:
Base-Base interactions energy: -680.461
where: short stacking energy: -284.856
Base-Backbone interact. energy: -1.818
local terms energy: -304.556110
where:
bonds (distance) C4'-P energy: -50.085
bonds (distance) P-C4' energy: -59.279
flat angles C4'-P-C4' energy: -66.446
flat angles P-C4'-P energy: -41.404
tors. eta vs tors. theta energy: -87.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -934.650197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.650197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.650197 (E_RNA)
where:
Base-Base interactions energy: -655.180
where: short stacking energy: -250.069
Base-Backbone interact. energy: -0.042
local terms energy: -279.427854
where:
bonds (distance) C4'-P energy: -58.644
bonds (distance) P-C4' energy: -44.721
flat angles C4'-P-C4' energy: -56.080
flat angles P-C4'-P energy: -42.207
tors. eta vs tors. theta energy: -77.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -901.865253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.865253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.865253 (E_RNA)
where:
Base-Base interactions energy: -635.600
where: short stacking energy: -249.756
Base-Backbone interact. energy: -0.000
local terms energy: -266.264792
where:
bonds (distance) C4'-P energy: -46.513
bonds (distance) P-C4' energy: -51.105
flat angles C4'-P-C4' energy: -55.033
flat angles P-C4'-P energy: -42.889
tors. eta vs tors. theta energy: -70.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -887.553623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.553623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.553623 (E_RNA)
where:
Base-Base interactions energy: -617.442
where: short stacking energy: -241.253
Base-Backbone interact. energy: 0.882
local terms energy: -270.994121
where:
bonds (distance) C4'-P energy: -48.602
bonds (distance) P-C4' energy: -53.454
flat angles C4'-P-C4' energy: -55.613
flat angles P-C4'-P energy: -45.296
tors. eta vs tors. theta energy: -68.029
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: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -822.567132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.567132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.567132 (E_RNA)
where:
Base-Base interactions energy: -570.489
where: short stacking energy: -231.650
Base-Backbone interact. energy: -0.650
local terms energy: -251.427872
where:
bonds (distance) C4'-P energy: -43.354
bonds (distance) P-C4' energy: -49.328
flat angles C4'-P-C4' energy: -52.367
flat angles P-C4'-P energy: -41.657
tors. eta vs tors. theta energy: -64.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -759.110200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.110200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.110200 (E_RNA)
where:
Base-Base interactions energy: -508.506
where: short stacking energy: -217.302
Base-Backbone interact. energy: -1.246
local terms energy: -249.357833
where:
bonds (distance) C4'-P energy: -54.457
bonds (distance) P-C4' energy: -50.229
flat angles C4'-P-C4' energy: -56.200
flat angles P-C4'-P energy: -42.338
tors. eta vs tors. theta energy: -46.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -750.245436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.245436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.245436 (E_RNA)
where:
Base-Base interactions energy: -519.281
where: short stacking energy: -193.620
Base-Backbone interact. energy: -1.133
local terms energy: -229.830747
where:
bonds (distance) C4'-P energy: -45.566
bonds (distance) P-C4' energy: -54.669
flat angles C4'-P-C4' energy: -48.685
flat angles P-C4'-P energy: -35.918
tors. eta vs tors. theta energy: -44.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -676.172696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.172696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.172696 (E_RNA)
where:
Base-Base interactions energy: -460.229
where: short stacking energy: -190.884
Base-Backbone interact. energy: -0.397
local terms energy: -215.546588
where:
bonds (distance) C4'-P energy: -43.483
bonds (distance) P-C4' energy: -50.771
flat angles C4'-P-C4' energy: -54.632
flat angles P-C4'-P energy: -28.126
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: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -511.174226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.174226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.174226 (E_RNA)
where:
Base-Base interactions energy: -313.815
where: short stacking energy: -160.771
Base-Backbone interact. energy: 0.292
local terms energy: -197.650754
where:
bonds (distance) C4'-P energy: -41.842
bonds (distance) P-C4' energy: -49.059
flat angles C4'-P-C4' energy: -41.240
flat angles P-C4'-P energy: -35.042
tors. eta vs tors. theta energy: -30.469
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: 10, replica: 3
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -431.335130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.335130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.335130 (E_RNA)
where:
Base-Base interactions energy: -257.616
where: short stacking energy: -125.953
Base-Backbone interact. energy: 3.218
local terms energy: -176.937305
where:
bonds (distance) C4'-P energy: -35.194
bonds (distance) P-C4' energy: -53.985
flat angles C4'-P-C4' energy: -48.034
flat angles P-C4'-P energy: -32.461
tors. eta vs tors. theta energy: -7.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -990.854276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.854276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.854276 (E_RNA)
where:
Base-Base interactions energy: -697.562
where: short stacking energy: -298.440
Base-Backbone interact. energy: 0.523
local terms energy: -293.815069
where:
bonds (distance) C4'-P energy: -55.441
bonds (distance) P-C4' energy: -53.486
flat angles C4'-P-C4' energy: -60.710
flat angles P-C4'-P energy: -38.927
tors. eta vs tors. theta energy: -85.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -936.309792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.309792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.309792 (E_RNA)
where:
Base-Base interactions energy: -670.761
where: short stacking energy: -258.492
Base-Backbone interact. energy: -1.616
local terms energy: -263.932849
where:
bonds (distance) C4'-P energy: -50.391
bonds (distance) P-C4' energy: -42.495
flat angles C4'-P-C4' energy: -59.454
flat angles P-C4'-P energy: -36.472
tors. eta vs tors. theta energy: -75.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -909.199390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.199390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.199390 (E_RNA)
where:
Base-Base interactions energy: -650.895
where: short stacking energy: -259.902
Base-Backbone interact. energy: -2.200
local terms energy: -256.104663
where:
bonds (distance) C4'-P energy: -43.491
bonds (distance) P-C4' energy: -45.600
flat angles C4'-P-C4' energy: -51.387
flat angles P-C4'-P energy: -35.553
tors. eta vs tors. theta energy: -80.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -901.169746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.169746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.169746 (E_RNA)
where:
Base-Base interactions energy: -648.039
where: short stacking energy: -260.530
Base-Backbone interact. energy: -0.938
local terms energy: -252.193078
where:
bonds (distance) C4'-P energy: -52.882
bonds (distance) P-C4' energy: -50.135
flat angles C4'-P-C4' energy: -43.805
flat angles P-C4'-P energy: -35.353
tors. eta vs tors. theta energy: -70.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -840.703238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.703238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.703238 (E_RNA)
where:
Base-Base interactions energy: -592.236
where: short stacking energy: -257.787
Base-Backbone interact. energy: 1.233
local terms energy: -249.699290
where:
bonds (distance) C4'-P energy: -44.728
bonds (distance) P-C4' energy: -43.621
flat angles C4'-P-C4' energy: -57.282
flat angles P-C4'-P energy: -34.039
tors. eta vs tors. theta energy: -70.030
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: 5
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -758.627897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.627897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.627897 (E_RNA)
where:
Base-Base interactions energy: -517.730
where: short stacking energy: -208.309
Base-Backbone interact. energy: -0.888
local terms energy: -240.010005
where:
bonds (distance) C4'-P energy: -46.892
bonds (distance) P-C4' energy: -54.570
flat angles C4'-P-C4' energy: -52.956
flat angles P-C4'-P energy: -36.758
tors. eta vs tors. theta energy: -48.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -722.227352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.227352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.227352 (E_RNA)
where:
Base-Base interactions energy: -502.101
where: short stacking energy: -211.101
Base-Backbone interact. energy: 0.347
local terms energy: -220.473182
where:
bonds (distance) C4'-P energy: -49.204
bonds (distance) P-C4' energy: -48.705
flat angles C4'-P-C4' energy: -40.413
flat angles P-C4'-P energy: -34.953
tors. eta vs tors. theta energy: -47.199
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: 8, replica: 9
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -686.197839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.197839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.197839 (E_RNA)
where:
Base-Base interactions energy: -480.269
where: short stacking energy: -196.038
Base-Backbone interact. energy: 1.480
local terms energy: -207.408824
where:
bonds (distance) C4'-P energy: -34.129
bonds (distance) P-C4' energy: -51.545
flat angles C4'-P-C4' energy: -40.484
flat angles P-C4'-P energy: -30.739
tors. eta vs tors. theta energy: -50.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -495.418687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.418687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.418687 (E_RNA)
where:
Base-Base interactions energy: -309.867
where: short stacking energy: -135.751
Base-Backbone interact. energy: -0.698
local terms energy: -184.853748
where:
bonds (distance) C4'-P energy: -46.549
bonds (distance) P-C4' energy: -47.466
flat angles C4'-P-C4' energy: -43.621
flat angles P-C4'-P energy: -27.573
tors. eta vs tors. theta energy: -19.645
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: 3
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -420.047823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.047823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.047823 (E_RNA)
where:
Base-Base interactions energy: -254.244
where: short stacking energy: -125.097
Base-Backbone interact. energy: -1.387
local terms energy: -164.417188
where:
bonds (distance) C4'-P energy: -50.889
bonds (distance) P-C4' energy: -55.721
flat angles C4'-P-C4' energy: -30.870
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -15.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -966.660701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.660701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.660701 (E_RNA)
where:
Base-Base interactions energy: -676.409
where: short stacking energy: -283.778
Base-Backbone interact. energy: -1.169
local terms energy: -289.083285
where:
bonds (distance) C4'-P energy: -48.107
bonds (distance) P-C4' energy: -56.616
flat angles C4'-P-C4' energy: -56.063
flat angles P-C4'-P energy: -41.350
tors. eta vs tors. theta energy: -86.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -901.470882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.470882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.470882 (E_RNA)
where:
Base-Base interactions energy: -642.200
where: short stacking energy: -247.302
Base-Backbone interact. energy: 0.268
local terms energy: -259.539725
where:
bonds (distance) C4'-P energy: -44.990
bonds (distance) P-C4' energy: -46.984
flat angles C4'-P-C4' energy: -59.745
flat angles P-C4'-P energy: -43.316
tors. eta vs tors. theta energy: -64.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -909.776294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.776294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.776294 (E_RNA)
where:
Base-Base interactions energy: -652.440
where: short stacking energy: -261.598
Base-Backbone interact. energy: 0.919
local terms energy: -258.255051
where:
bonds (distance) C4'-P energy: -49.654
bonds (distance) P-C4' energy: -56.156
flat angles C4'-P-C4' energy: -54.814
flat angles P-C4'-P energy: -33.708
tors. eta vs tors. theta energy: -63.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -894.028340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.028340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.028340 (E_RNA)
where:
Base-Base interactions energy: -628.344
where: short stacking energy: -250.663
Base-Backbone interact. energy: 0.267
local terms energy: -265.951325
where:
bonds (distance) C4'-P energy: -50.312
bonds (distance) P-C4' energy: -53.016
flat angles C4'-P-C4' energy: -56.056
flat angles P-C4'-P energy: -32.771
tors. eta vs tors. theta energy: -73.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -808.054853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.054853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.054853 (E_RNA)
where:
Base-Base interactions energy: -557.472
where: short stacking energy: -229.678
Base-Backbone interact. energy: -2.164
local terms energy: -248.418049
where:
bonds (distance) C4'-P energy: -44.864
bonds (distance) P-C4' energy: -48.958
flat angles C4'-P-C4' energy: -49.876
flat angles P-C4'-P energy: -39.236
tors. eta vs tors. theta energy: -65.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -781.340436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.340436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.340436 (E_RNA)
where:
Base-Base interactions energy: -548.839
where: short stacking energy: -225.136
Base-Backbone interact. energy: -2.602
local terms energy: -229.899749
where:
bonds (distance) C4'-P energy: -51.312
bonds (distance) P-C4' energy: -36.900
flat angles C4'-P-C4' energy: -52.992
flat angles P-C4'-P energy: -30.297
tors. eta vs tors. theta energy: -58.399
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: 7, replica: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -715.604960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.604960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.604960 (E_RNA)
where:
Base-Base interactions energy: -494.256
where: short stacking energy: -201.724
Base-Backbone interact. energy: 0.246
local terms energy: -221.595818
where:
bonds (distance) C4'-P energy: -38.570
bonds (distance) P-C4' energy: -55.400
flat angles C4'-P-C4' energy: -47.893
flat angles P-C4'-P energy: -33.778
tors. eta vs tors. theta energy: -45.955
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: 8, replica: 7
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -707.468747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.468747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.468747 (E_RNA)
where:
Base-Base interactions energy: -488.889
where: short stacking energy: -206.135
Base-Backbone interact. energy: -2.133
local terms energy: -216.446679
where:
bonds (distance) C4'-P energy: -48.136
bonds (distance) P-C4' energy: -50.979
flat angles C4'-P-C4' energy: -43.221
flat angles P-C4'-P energy: -30.105
tors. eta vs tors. theta energy: -44.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -463.293193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.293193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.293193 (E_RNA)
where:
Base-Base interactions energy: -270.760
where: short stacking energy: -128.924
Base-Backbone interact. energy: -1.767
local terms energy: -190.765408
where:
bonds (distance) C4'-P energy: -45.045
bonds (distance) P-C4' energy: -51.673
flat angles C4'-P-C4' energy: -45.360
flat angles P-C4'-P energy: -30.289
tors. eta vs tors. theta energy: -18.399
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: 8
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -485.987179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.987179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.987179 (E_RNA)
where:
Base-Base interactions energy: -305.219
where: short stacking energy: -143.106
Base-Backbone interact. energy: -1.273
local terms energy: -179.495158
where:
bonds (distance) C4'-P energy: -36.363
bonds (distance) P-C4' energy: -48.412
flat angles C4'-P-C4' energy: -39.209
flat angles P-C4'-P energy: -27.387
tors. eta vs tors. theta energy: -28.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -980.956441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.956441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.956441 (E_RNA)
where:
Base-Base interactions energy: -669.815
where: short stacking energy: -274.066
Base-Backbone interact. energy: -1.280
local terms energy: -309.861388
where:
bonds (distance) C4'-P energy: -57.128
bonds (distance) P-C4' energy: -63.219
flat angles C4'-P-C4' energy: -65.969
flat angles P-C4'-P energy: -39.553
tors. eta vs tors. theta energy: -83.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -936.195648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.195648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.195648 (E_RNA)
where:
Base-Base interactions energy: -676.825
where: short stacking energy: -276.902
Base-Backbone interact. energy: -0.890
local terms energy: -258.481324
where:
bonds (distance) C4'-P energy: -44.567
bonds (distance) P-C4' energy: -44.046
flat angles C4'-P-C4' energy: -61.518
flat angles P-C4'-P energy: -34.685
tors. eta vs tors. theta energy: -73.664
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: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -907.961863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.961863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.961863 (E_RNA)
where:
Base-Base interactions energy: -635.275
where: short stacking energy: -239.184
Base-Backbone interact. energy: -3.324
local terms energy: -269.362935
where:
bonds (distance) C4'-P energy: -46.930
bonds (distance) P-C4' energy: -47.716
flat angles C4'-P-C4' energy: -58.482
flat angles P-C4'-P energy: -41.838
tors. eta vs tors. theta energy: -74.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -853.738053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.738053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.738053 (E_RNA)
where:
Base-Base interactions energy: -586.991
where: short stacking energy: -230.481
Base-Backbone interact. energy: -2.376
local terms energy: -264.371383
where:
bonds (distance) C4'-P energy: -51.525
bonds (distance) P-C4' energy: -57.688
flat angles C4'-P-C4' energy: -59.417
flat angles P-C4'-P energy: -32.722
tors. eta vs tors. theta energy: -63.020
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: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -803.433770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.433770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.433770 (E_RNA)
where:
Base-Base interactions energy: -571.836
where: short stacking energy: -236.449
Base-Backbone interact. energy: -0.160
local terms energy: -231.437570
where:
bonds (distance) C4'-P energy: -41.234
bonds (distance) P-C4' energy: -43.576
flat angles C4'-P-C4' energy: -50.278
flat angles P-C4'-P energy: -37.134
tors. eta vs tors. theta energy: -59.216
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: 6, replica: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -770.257613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.257613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.257613 (E_RNA)
where:
Base-Base interactions energy: -534.304
where: short stacking energy: -222.002
Base-Backbone interact. energy: -1.299
local terms energy: -234.654570
where:
bonds (distance) C4'-P energy: -50.635
bonds (distance) P-C4' energy: -42.974
flat angles C4'-P-C4' energy: -55.277
flat angles P-C4'-P energy: -30.194
tors. eta vs tors. theta energy: -55.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -723.758554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.758554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.758554 (E_RNA)
where:
Base-Base interactions energy: -495.707
where: short stacking energy: -202.855
Base-Backbone interact. energy: -2.317
local terms energy: -225.734648
where:
bonds (distance) C4'-P energy: -42.493
bonds (distance) P-C4' energy: -48.328
flat angles C4'-P-C4' energy: -48.199
flat angles P-C4'-P energy: -34.092
tors. eta vs tors. theta energy: -52.623
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: 127
Temperature: 1.250000
Total energy: -697.942004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.942004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.942004 (E_RNA)
where:
Base-Base interactions energy: -480.298
where: short stacking energy: -187.246
Base-Backbone interact. energy: -0.582
local terms energy: -217.062019
where:
bonds (distance) C4'-P energy: -40.868
bonds (distance) P-C4' energy: -53.583
flat angles C4'-P-C4' energy: -42.716
flat angles P-C4'-P energy: -39.231
tors. eta vs tors. theta energy: -40.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -439.566452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.566452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.566452 (E_RNA)
where:
Base-Base interactions energy: -264.044
where: short stacking energy: -125.732
Base-Backbone interact. energy: -0.935
local terms energy: -174.587137
where:
bonds (distance) C4'-P energy: -46.146
bonds (distance) P-C4' energy: -44.180
flat angles C4'-P-C4' energy: -46.010
flat angles P-C4'-P energy: -23.260
tors. eta vs tors. theta energy: -14.991
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: 10, replica: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -505.273332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.273332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.273332 (E_RNA)
where:
Base-Base interactions energy: -322.468
where: short stacking energy: -156.928
Base-Backbone interact. energy: 0.186
local terms energy: -182.991350
where:
bonds (distance) C4'-P energy: -33.083
bonds (distance) P-C4' energy: -56.996
flat angles C4'-P-C4' energy: -40.898
flat angles P-C4'-P energy: -26.895
tors. eta vs tors. theta energy: -25.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -979.136185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.136185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.136185 (E_RNA)
where:
Base-Base interactions energy: -669.604
where: short stacking energy: -284.911
Base-Backbone interact. energy: -0.846
local terms energy: -308.686376
where:
bonds (distance) C4'-P energy: -57.544
bonds (distance) P-C4' energy: -55.899
flat angles C4'-P-C4' energy: -65.256
flat angles P-C4'-P energy: -43.327
tors. eta vs tors. theta energy: -86.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -941.211762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.211762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.211762 (E_RNA)
where:
Base-Base interactions energy: -668.380
where: short stacking energy: -270.480
Base-Backbone interact. energy: -1.965
local terms energy: -270.867181
where:
bonds (distance) C4'-P energy: -47.548
bonds (distance) P-C4' energy: -49.404
flat angles C4'-P-C4' energy: -58.114
flat angles P-C4'-P energy: -42.524
tors. eta vs tors. theta energy: -73.277
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: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -912.753436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.753436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.753436 (E_RNA)
where:
Base-Base interactions energy: -644.640
where: short stacking energy: -262.887
Base-Backbone interact. energy: -0.955
local terms energy: -267.158394
where:
bonds (distance) C4'-P energy: -49.784
bonds (distance) P-C4' energy: -53.847
flat angles C4'-P-C4' energy: -51.757
flat angles P-C4'-P energy: -38.448
tors. eta vs tors. theta energy: -73.322
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: 4, replica: 6
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -862.377124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.377124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.377124 (E_RNA)
where:
Base-Base interactions energy: -589.610
where: short stacking energy: -251.478
Base-Backbone interact. energy: -0.715
local terms energy: -272.051901
where:
bonds (distance) C4'-P energy: -50.752
bonds (distance) P-C4' energy: -48.579
flat angles C4'-P-C4' energy: -57.233
flat angles P-C4'-P energy: -40.482
tors. eta vs tors. theta energy: -75.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -823.368823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.368823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.368823 (E_RNA)
where:
Base-Base interactions energy: -582.383
where: short stacking energy: -234.717
Base-Backbone interact. energy: -1.564
local terms energy: -239.421193
where:
bonds (distance) C4'-P energy: -36.985
bonds (distance) P-C4' energy: -49.851
flat angles C4'-P-C4' energy: -52.095
flat angles P-C4'-P energy: -38.047
tors. eta vs tors. theta energy: -62.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -747.589345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.589345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.589345 (E_RNA)
where:
Base-Base interactions energy: -521.661
where: short stacking energy: -208.674
Base-Backbone interact. energy: 1.159
local terms energy: -227.086809
where:
bonds (distance) C4'-P energy: -43.768
bonds (distance) P-C4' energy: -48.636
flat angles C4'-P-C4' energy: -50.176
flat angles P-C4'-P energy: -41.265
tors. eta vs tors. theta energy: -43.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -679.776757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.776757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.776757 (E_RNA)
where:
Base-Base interactions energy: -456.351
where: short stacking energy: -190.581
Base-Backbone interact. energy: -1.138
local terms energy: -222.288529
where:
bonds (distance) C4'-P energy: -56.302
bonds (distance) P-C4' energy: -48.496
flat angles C4'-P-C4' energy: -49.723
flat angles P-C4'-P energy: -33.319
tors. eta vs tors. theta energy: -34.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -711.774010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.774010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.774010 (E_RNA)
where:
Base-Base interactions energy: -491.818
where: short stacking energy: -214.044
Base-Backbone interact. energy: -0.698
local terms energy: -219.258398
where:
bonds (distance) C4'-P energy: -39.153
bonds (distance) P-C4' energy: -47.261
flat angles C4'-P-C4' energy: -47.816
flat angles P-C4'-P energy: -30.733
tors. eta vs tors. theta energy: -54.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -533.215561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.215561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.215561 (E_RNA)
where:
Base-Base interactions energy: -327.739
where: short stacking energy: -155.198
Base-Backbone interact. energy: -0.756
local terms energy: -204.720438
where:
bonds (distance) C4'-P energy: -44.877
bonds (distance) P-C4' energy: -48.766
flat angles C4'-P-C4' energy: -53.781
flat angles P-C4'-P energy: -23.030
tors. eta vs tors. theta energy: -34.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -485.413365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.413365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.413365 (E_RNA)
where:
Base-Base interactions energy: -282.126
where: short stacking energy: -125.490
Base-Backbone interact. energy: -0.470
local terms energy: -202.817152
where:
bonds (distance) C4'-P energy: -50.622
bonds (distance) P-C4' energy: -50.861
flat angles C4'-P-C4' energy: -50.028
flat angles P-C4'-P energy: -29.320
tors. eta vs tors. theta energy: -21.986
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: 1, replica: 4
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -985.695307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.695307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.695307 (E_RNA)
where:
Base-Base interactions energy: -685.741
where: short stacking energy: -280.136
Base-Backbone interact. energy: -1.978
local terms energy: -297.976013
where:
bonds (distance) C4'-P energy: -49.677
bonds (distance) P-C4' energy: -57.833
flat angles C4'-P-C4' energy: -61.379
flat angles P-C4'-P energy: -42.697
tors. eta vs tors. theta energy: -86.389
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: 10
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -945.106265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.106265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.106265 (E_RNA)
where:
Base-Base interactions energy: -652.235
where: short stacking energy: -270.429
Base-Backbone interact. energy: -1.092
local terms energy: -291.778738
where:
bonds (distance) C4'-P energy: -60.566
bonds (distance) P-C4' energy: -52.834
flat angles C4'-P-C4' energy: -61.946
flat angles P-C4'-P energy: -36.626
tors. eta vs tors. theta energy: -79.807
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: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -915.748206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.748206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.748206 (E_RNA)
where:
Base-Base interactions energy: -641.856
where: short stacking energy: -251.298
Base-Backbone interact. energy: 0.209
local terms energy: -274.101108
where:
bonds (distance) C4'-P energy: -50.631
bonds (distance) P-C4' energy: -58.898
flat angles C4'-P-C4' energy: -50.609
flat angles P-C4'-P energy: -42.153
tors. eta vs tors. theta energy: -71.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -858.357841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.357841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.357841 (E_RNA)
where:
Base-Base interactions energy: -590.461
where: short stacking energy: -225.154
Base-Backbone interact. energy: -1.356
local terms energy: -266.540806
where:
bonds (distance) C4'-P energy: -60.049
bonds (distance) P-C4' energy: -44.195
flat angles C4'-P-C4' energy: -56.739
flat angles P-C4'-P energy: -38.474
tors. eta vs tors. theta energy: -67.082
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: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -844.841292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.841292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.841292 (E_RNA)
where:
Base-Base interactions energy: -591.953
where: short stacking energy: -228.905
Base-Backbone interact. energy: 0.103
local terms energy: -252.991722
where:
bonds (distance) C4'-P energy: -44.771
bonds (distance) P-C4' energy: -52.321
flat angles C4'-P-C4' energy: -53.008
flat angles P-C4'-P energy: -40.455
tors. eta vs tors. theta energy: -62.436
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: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -751.870981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.870981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.870981 (E_RNA)
where:
Base-Base interactions energy: -529.705
where: short stacking energy: -214.616
Base-Backbone interact. energy: -1.375
local terms energy: -220.790985
where:
bonds (distance) C4'-P energy: -42.903
bonds (distance) P-C4' energy: -41.703
flat angles C4'-P-C4' energy: -56.900
flat angles P-C4'-P energy: -25.311
tors. eta vs tors. theta energy: -53.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -724.720531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.720531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.720531 (E_RNA)
where:
Base-Base interactions energy: -508.077
where: short stacking energy: -193.883
Base-Backbone interact. energy: 2.361
local terms energy: -219.004582
where:
bonds (distance) C4'-P energy: -38.701
bonds (distance) P-C4' energy: -45.383
flat angles C4'-P-C4' energy: -50.863
flat angles P-C4'-P energy: -37.280
tors. eta vs tors. theta energy: -46.777
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: 9
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -674.177841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.177841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.177841 (E_RNA)
where:
Base-Base interactions energy: -452.359
where: short stacking energy: -187.225
Base-Backbone interact. energy: -4.594
local terms energy: -217.224168
where:
bonds (distance) C4'-P energy: -47.785
bonds (distance) P-C4' energy: -37.753
flat angles C4'-P-C4' energy: -50.090
flat angles P-C4'-P energy: -31.536
tors. eta vs tors. theta energy: -50.061
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: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -526.842077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.842077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.842077 (E_RNA)
where:
Base-Base interactions energy: -330.785
where: short stacking energy: -163.226
Base-Backbone interact. energy: -0.800
local terms energy: -195.257506
where:
bonds (distance) C4'-P energy: -41.244
bonds (distance) P-C4' energy: -50.668
flat angles C4'-P-C4' energy: -41.835
flat angles P-C4'-P energy: -37.003
tors. eta vs tors. theta energy: -24.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -537.809076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.809076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.809076 (E_RNA)
where:
Base-Base interactions energy: -335.529
where: short stacking energy: -171.262
Base-Backbone interact. energy: 0.301
local terms energy: -202.581176
where:
bonds (distance) C4'-P energy: -40.269
bonds (distance) P-C4' energy: -42.392
flat angles C4'-P-C4' energy: -58.046
flat angles P-C4'-P energy: -28.821
tors. eta vs tors. theta energy: -33.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -976.813134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.813134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.813134 (E_RNA)
where:
Base-Base interactions energy: -669.637
where: short stacking energy: -284.049
Base-Backbone interact. energy: -3.257
local terms energy: -303.918675
where:
bonds (distance) C4'-P energy: -60.196
bonds (distance) P-C4' energy: -53.237
flat angles C4'-P-C4' energy: -61.619
flat angles P-C4'-P energy: -41.537
tors. eta vs tors. theta energy: -87.330
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: 10
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -950.424681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.424681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.424681 (E_RNA)
where:
Base-Base interactions energy: -661.503
where: short stacking energy: -289.976
Base-Backbone interact. energy: -1.251
local terms energy: -287.669987
where:
bonds (distance) C4'-P energy: -38.130
bonds (distance) P-C4' energy: -58.201
flat angles C4'-P-C4' energy: -66.147
flat angles P-C4'-P energy: -45.822
tors. eta vs tors. theta energy: -79.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -920.513335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.513335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.513335 (E_RNA)
where:
Base-Base interactions energy: -643.313
where: short stacking energy: -266.983
Base-Backbone interact. energy: -0.019
local terms energy: -277.180651
where:
bonds (distance) C4'-P energy: -44.781
bonds (distance) P-C4' energy: -60.361
flat angles C4'-P-C4' energy: -57.996
flat angles P-C4'-P energy: -40.060
tors. eta vs tors. theta energy: -73.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -849.603209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.603209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.603209 (E_RNA)
where:
Base-Base interactions energy: -582.277
where: short stacking energy: -238.739
Base-Backbone interact. energy: -1.519
local terms energy: -265.806760
where:
bonds (distance) C4'-P energy: -54.804
bonds (distance) P-C4' energy: -47.153
flat angles C4'-P-C4' energy: -53.586
flat angles P-C4'-P energy: -37.102
tors. eta vs tors. theta energy: -73.162
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: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -811.740066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.740066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.740066 (E_RNA)
where:
Base-Base interactions energy: -562.937
where: short stacking energy: -217.919
Base-Backbone interact. energy: -1.237
local terms energy: -247.566077
where:
bonds (distance) C4'-P energy: -44.970
bonds (distance) P-C4' energy: -50.340
flat angles C4'-P-C4' energy: -56.451
flat angles P-C4'-P energy: -33.764
tors. eta vs tors. theta energy: -62.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -723.923745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.923745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.923745 (E_RNA)
where:
Base-Base interactions energy: -493.650
where: short stacking energy: -211.601
Base-Backbone interact. energy: -0.635
local terms energy: -229.637753
where:
bonds (distance) C4'-P energy: -44.517
bonds (distance) P-C4' energy: -46.045
flat angles C4'-P-C4' energy: -49.674
flat angles P-C4'-P energy: -32.432
tors. eta vs tors. theta energy: -56.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -748.374202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.374202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.374202 (E_RNA)
where:
Base-Base interactions energy: -525.638
where: short stacking energy: -204.210
Base-Backbone interact. energy: -1.023
local terms energy: -221.714132
where:
bonds (distance) C4'-P energy: -42.705
bonds (distance) P-C4' energy: -48.245
flat angles C4'-P-C4' energy: -54.783
flat angles P-C4'-P energy: -30.185
tors. eta vs tors. theta energy: -45.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -621.872465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.872465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.872465 (E_RNA)
where:
Base-Base interactions energy: -405.072
where: short stacking energy: -164.169
Base-Backbone interact. energy: -0.129
local terms energy: -216.671325
where:
bonds (distance) C4'-P energy: -52.355
bonds (distance) P-C4' energy: -50.416
flat angles C4'-P-C4' energy: -46.802
flat angles P-C4'-P energy: -31.007
tors. eta vs tors. theta energy: -36.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -573.738985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.738985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.738985 (E_RNA)
where:
Base-Base interactions energy: -372.559
where: short stacking energy: -157.945
Base-Backbone interact. energy: -0.580
local terms energy: -200.600269
where:
bonds (distance) C4'-P energy: -50.960
bonds (distance) P-C4' energy: -42.548
flat angles C4'-P-C4' energy: -51.471
flat angles P-C4'-P energy: -20.175
tors. eta vs tors. theta energy: -35.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -499.745394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.745394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.745394 (E_RNA)
where:
Base-Base interactions energy: -315.079
where: short stacking energy: -128.025
Base-Backbone interact. energy: 5.633
local terms energy: -190.300140
where:
bonds (distance) C4'-P energy: -42.028
bonds (distance) P-C4' energy: -57.319
flat angles C4'-P-C4' energy: -31.172
flat angles P-C4'-P energy: -33.544
tors. eta vs tors. theta energy: -26.237
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: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -989.772595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.772595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.772595 (E_RNA)
where:
Base-Base interactions energy: -695.181
where: short stacking energy: -285.034
Base-Backbone interact. energy: -4.241
local terms energy: -290.350190
where:
bonds (distance) C4'-P energy: -44.699
bonds (distance) P-C4' energy: -53.535
flat angles C4'-P-C4' energy: -64.817
flat angles P-C4'-P energy: -42.992
tors. eta vs tors. theta energy: -84.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -965.590132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.590132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.590132 (E_RNA)
where:
Base-Base interactions energy: -697.444
where: short stacking energy: -283.245
Base-Backbone interact. energy: -2.188
local terms energy: -265.958011
where:
bonds (distance) C4'-P energy: -47.204
bonds (distance) P-C4' energy: -41.487
flat angles C4'-P-C4' energy: -57.567
flat angles P-C4'-P energy: -39.258
tors. eta vs tors. theta energy: -80.443
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: 3, replica: 1
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -906.991680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.991680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.991680 (E_RNA)
where:
Base-Base interactions energy: -641.710
where: short stacking energy: -255.055
Base-Backbone interact. energy: -1.303
local terms energy: -263.978372
where:
bonds (distance) C4'-P energy: -50.387
bonds (distance) P-C4' energy: -51.265
flat angles C4'-P-C4' energy: -47.827
flat angles P-C4'-P energy: -43.958
tors. eta vs tors. theta energy: -70.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -843.445545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.445545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.445545 (E_RNA)
where:
Base-Base interactions energy: -597.262
where: short stacking energy: -245.977
Base-Backbone interact. energy: -1.034
local terms energy: -245.149585
where:
bonds (distance) C4'-P energy: -40.158
bonds (distance) P-C4' energy: -56.631
flat angles C4'-P-C4' energy: -50.581
flat angles P-C4'-P energy: -34.659
tors. eta vs tors. theta energy: -63.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -809.813729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.813729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.813729 (E_RNA)
where:
Base-Base interactions energy: -562.314
where: short stacking energy: -239.330
Base-Backbone interact. energy: 1.174
local terms energy: -248.673610
where:
bonds (distance) C4'-P energy: -44.354
bonds (distance) P-C4' energy: -53.191
flat angles C4'-P-C4' energy: -52.620
flat angles P-C4'-P energy: -37.627
tors. eta vs tors. theta energy: -60.881
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: 6, replica: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -739.171222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.171222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.171222 (E_RNA)
where:
Base-Base interactions energy: -503.940
where: short stacking energy: -225.101
Base-Backbone interact. energy: 0.245
local terms energy: -235.476228
where:
bonds (distance) C4'-P energy: -35.735
bonds (distance) P-C4' energy: -51.573
flat angles C4'-P-C4' energy: -56.738
flat angles P-C4'-P energy: -37.465
tors. eta vs tors. theta energy: -53.965
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: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -717.904168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.904168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.904168 (E_RNA)
where:
Base-Base interactions energy: -480.615
where: short stacking energy: -202.428
Base-Backbone interact. energy: -2.613
local terms energy: -234.675850
where:
bonds (distance) C4'-P energy: -52.219
bonds (distance) P-C4' energy: -48.605
flat angles C4'-P-C4' energy: -49.271
flat angles P-C4'-P energy: -34.318
tors. eta vs tors. theta energy: -50.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -616.351091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.351091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.351091 (E_RNA)
where:
Base-Base interactions energy: -411.072
where: short stacking energy: -181.140
Base-Backbone interact. energy: -0.370
local terms energy: -204.908898
where:
bonds (distance) C4'-P energy: -44.637
bonds (distance) P-C4' energy: -45.731
flat angles C4'-P-C4' energy: -43.705
flat angles P-C4'-P energy: -30.833
tors. eta vs tors. theta energy: -40.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -611.692096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.692096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.692096 (E_RNA)
where:
Base-Base interactions energy: -422.331
where: short stacking energy: -177.398
Base-Backbone interact. energy: -0.542
local terms energy: -188.819656
where:
bonds (distance) C4'-P energy: -34.045
bonds (distance) P-C4' energy: -50.361
flat angles C4'-P-C4' energy: -37.156
flat angles P-C4'-P energy: -29.908
tors. eta vs tors. theta energy: -37.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -523.223849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.223849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.223849 (E_RNA)
where:
Base-Base interactions energy: -340.254
where: short stacking energy: -158.481
Base-Backbone interact. energy: -1.238
local terms energy: -181.731027
where:
bonds (distance) C4'-P energy: -41.901
bonds (distance) P-C4' energy: -40.934
flat angles C4'-P-C4' energy: -49.707
flat angles P-C4'-P energy: -25.498
tors. eta vs tors. theta energy: -23.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -978.377103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.377103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.377103 (E_RNA)
where:
Base-Base interactions energy: -677.277
where: short stacking energy: -292.075
Base-Backbone interact. energy: -0.611
local terms energy: -300.488730
where:
bonds (distance) C4'-P energy: -56.793
bonds (distance) P-C4' energy: -57.823
flat angles C4'-P-C4' energy: -63.388
flat angles P-C4'-P energy: -38.649
tors. eta vs tors. theta energy: -83.836
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: 2, replica: 10
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -937.583224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.583224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.583224 (E_RNA)
where:
Base-Base interactions energy: -655.237
where: short stacking energy: -250.124
Base-Backbone interact. energy: -2.574
local terms energy: -279.772372
where:
bonds (distance) C4'-P energy: -55.759
bonds (distance) P-C4' energy: -52.653
flat angles C4'-P-C4' energy: -57.287
flat angles P-C4'-P energy: -37.646
tors. eta vs tors. theta energy: -76.427
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: 1
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -897.272977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.272977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.272977 (E_RNA)
where:
Base-Base interactions energy: -625.215
where: short stacking energy: -247.417
Base-Backbone interact. energy: -0.690
local terms energy: -271.367131
where:
bonds (distance) C4'-P energy: -49.775
bonds (distance) P-C4' energy: -45.479
flat angles C4'-P-C4' energy: -61.698
flat angles P-C4'-P energy: -43.903
tors. eta vs tors. theta energy: -70.512
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: 6
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -871.614123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.614123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.614123 (E_RNA)
where:
Base-Base interactions energy: -616.980
where: short stacking energy: -235.172
Base-Backbone interact. energy: -0.584
local terms energy: -254.050206
where:
bonds (distance) C4'-P energy: -45.545
bonds (distance) P-C4' energy: -49.187
flat angles C4'-P-C4' energy: -56.223
flat angles P-C4'-P energy: -39.014
tors. eta vs tors. theta energy: -64.081
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: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -798.739652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.739652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.739652 (E_RNA)
where:
Base-Base interactions energy: -549.399
where: short stacking energy: -224.797
Base-Backbone interact. energy: -0.531
local terms energy: -248.809538
where:
bonds (distance) C4'-P energy: -52.926
bonds (distance) P-C4' energy: -52.686
flat angles C4'-P-C4' energy: -57.675
flat angles P-C4'-P energy: -27.009
tors. eta vs tors. theta energy: -58.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -748.685638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.685638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.685638 (E_RNA)
where:
Base-Base interactions energy: -507.952
where: short stacking energy: -212.387
Base-Backbone interact. energy: -2.181
local terms energy: -238.553041
where:
bonds (distance) C4'-P energy: -48.134
bonds (distance) P-C4' energy: -39.044
flat angles C4'-P-C4' energy: -51.672
flat angles P-C4'-P energy: -39.562
tors. eta vs tors. theta energy: -60.140
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: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -731.306112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.306112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.306112 (E_RNA)
where:
Base-Base interactions energy: -505.084
where: short stacking energy: -201.538
Base-Backbone interact. energy: -3.057
local terms energy: -223.165560
where:
bonds (distance) C4'-P energy: -30.644
bonds (distance) P-C4' energy: -48.558
flat angles C4'-P-C4' energy: -59.689
flat angles P-C4'-P energy: -38.371
tors. eta vs tors. theta energy: -45.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -606.470776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.470776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.470776 (E_RNA)
where:
Base-Base interactions energy: -390.026
where: short stacking energy: -169.924
Base-Backbone interact. energy: -0.211
local terms energy: -216.233597
where:
bonds (distance) C4'-P energy: -44.876
bonds (distance) P-C4' energy: -53.170
flat angles C4'-P-C4' energy: -53.815
flat angles P-C4'-P energy: -33.110
tors. eta vs tors. theta energy: -31.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -619.314048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.314048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.314048 (E_RNA)
where:
Base-Base interactions energy: -409.887
where: short stacking energy: -171.124
Base-Backbone interact. energy: 1.543
local terms energy: -210.969988
where:
bonds (distance) C4'-P energy: -54.590
bonds (distance) P-C4' energy: -38.173
flat angles C4'-P-C4' energy: -48.312
flat angles P-C4'-P energy: -33.270
tors. eta vs tors. theta energy: -36.626
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: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -515.536547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.536547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.536547 (E_RNA)
where:
Base-Base interactions energy: -333.920
where: short stacking energy: -139.029
Base-Backbone interact. energy: 1.976
local terms energy: -183.592604
where:
bonds (distance) C4'-P energy: -43.175
bonds (distance) P-C4' energy: -47.044
flat angles C4'-P-C4' energy: -40.995
flat angles P-C4'-P energy: -25.343
tors. eta vs tors. theta energy: -27.036
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: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1003.031935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.031935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.031935 (E_RNA)
where:
Base-Base interactions energy: -699.990
where: short stacking energy: -277.097
Base-Backbone interact. energy: -1.708
local terms energy: -301.333277
where:
bonds (distance) C4'-P energy: -51.043
bonds (distance) P-C4' energy: -55.325
flat angles C4'-P-C4' energy: -62.458
flat angles P-C4'-P energy: -46.377
tors. eta vs tors. theta energy: -86.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -961.597760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.597760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.597760 (E_RNA)
where:
Base-Base interactions energy: -672.759
where: short stacking energy: -271.375
Base-Backbone interact. energy: 0.143
local terms energy: -288.981383
where:
bonds (distance) C4'-P energy: -54.037
bonds (distance) P-C4' energy: -52.187
flat angles C4'-P-C4' energy: -62.903
flat angles P-C4'-P energy: -42.846
tors. eta vs tors. theta energy: -77.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -875.837706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.837706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.837706 (E_RNA)
where:
Base-Base interactions energy: -619.648
where: short stacking energy: -234.683
Base-Backbone interact. energy: -1.065
local terms energy: -255.124467
where:
bonds (distance) C4'-P energy: -56.530
bonds (distance) P-C4' energy: -52.717
flat angles C4'-P-C4' energy: -51.983
flat angles P-C4'-P energy: -30.283
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: 4, replica: 6
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -862.716046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.716046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.716046 (E_RNA)
where:
Base-Base interactions energy: -602.762
where: short stacking energy: -217.286
Base-Backbone interact. energy: -1.703
local terms energy: -258.250781
where:
bonds (distance) C4'-P energy: -50.294
bonds (distance) P-C4' energy: -50.717
flat angles C4'-P-C4' energy: -60.261
flat angles P-C4'-P energy: -42.876
tors. eta vs tors. theta energy: -54.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -784.563902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.563902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.563902 (E_RNA)
where:
Base-Base interactions energy: -546.169
where: short stacking energy: -221.794
Base-Backbone interact. energy: -1.408
local terms energy: -236.986566
where:
bonds (distance) C4'-P energy: -41.916
bonds (distance) P-C4' energy: -48.529
flat angles C4'-P-C4' energy: -52.790
flat angles P-C4'-P energy: -37.125
tors. eta vs tors. theta energy: -56.627
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: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -752.642270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.642270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.642270 (E_RNA)
where:
Base-Base interactions energy: -515.005
where: short stacking energy: -205.049
Base-Backbone interact. energy: -2.373
local terms energy: -235.263994
where:
bonds (distance) C4'-P energy: -44.464
bonds (distance) P-C4' energy: -48.969
flat angles C4'-P-C4' energy: -48.050
flat angles P-C4'-P energy: -38.726
tors. eta vs tors. theta energy: -55.055
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: 7, replica: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -739.474149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.474149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.474149 (E_RNA)
where:
Base-Base interactions energy: -488.028
where: short stacking energy: -195.584
Base-Backbone interact. energy: -1.349
local terms energy: -250.097211
where:
bonds (distance) C4'-P energy: -50.975
bonds (distance) P-C4' energy: -58.398
flat angles C4'-P-C4' energy: -54.115
flat angles P-C4'-P energy: -38.905
tors. eta vs tors. theta energy: -47.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -582.039423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.039423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.039423 (E_RNA)
where:
Base-Base interactions energy: -390.804
where: short stacking energy: -163.111
Base-Backbone interact. energy: -2.929
local terms energy: -188.306773
where:
bonds (distance) C4'-P energy: -30.145
bonds (distance) P-C4' energy: -48.605
flat angles C4'-P-C4' energy: -48.221
flat angles P-C4'-P energy: -25.254
tors. eta vs tors. theta energy: -36.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -632.185953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.185953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.185953 (E_RNA)
where:
Base-Base interactions energy: -422.050
where: short stacking energy: -195.637
Base-Backbone interact. energy: -1.357
local terms energy: -208.778493
where:
bonds (distance) C4'-P energy: -42.391
bonds (distance) P-C4' energy: -51.016
flat angles C4'-P-C4' energy: -52.447
flat angles P-C4'-P energy: -25.208
tors. eta vs tors. theta energy: -37.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -500.531430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.531430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.531430 (E_RNA)
where:
Base-Base interactions energy: -320.018
where: short stacking energy: -138.573
Base-Backbone interact. energy: -0.630
local terms energy: -179.882926
where:
bonds (distance) C4'-P energy: -41.405
bonds (distance) P-C4' energy: -45.033
flat angles C4'-P-C4' energy: -37.410
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: -39.295
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: 4
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -977.658535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.658535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.658535 (E_RNA)
where:
Base-Base interactions energy: -693.234
where: short stacking energy: -287.015
Base-Backbone interact. energy: -0.720
local terms energy: -283.705441
where:
bonds (distance) C4'-P energy: -41.430
bonds (distance) P-C4' energy: -52.779
flat angles C4'-P-C4' energy: -60.200
flat angles P-C4'-P energy: -42.081
tors. eta vs tors. theta energy: -87.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -969.925658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.925658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.925658 (E_RNA)
where:
Base-Base interactions energy: -689.106
where: short stacking energy: -286.766
Base-Backbone interact. energy: -0.711
local terms energy: -280.108737
where:
bonds (distance) C4'-P energy: -54.576
bonds (distance) P-C4' energy: -40.276
flat angles C4'-P-C4' energy: -59.706
flat angles P-C4'-P energy: -44.438
tors. eta vs tors. theta energy: -81.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -878.554397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.554397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.554397 (E_RNA)
where:
Base-Base interactions energy: -598.081
where: short stacking energy: -247.184
Base-Backbone interact. energy: 0.845
local terms energy: -281.317900
where:
bonds (distance) C4'-P energy: -59.799
bonds (distance) P-C4' energy: -55.536
flat angles C4'-P-C4' energy: -58.613
flat angles P-C4'-P energy: -42.782
tors. eta vs tors. theta energy: -64.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -842.478698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.478698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.478698 (E_RNA)
where:
Base-Base interactions energy: -595.319
where: short stacking energy: -249.154
Base-Backbone interact. energy: 0.606
local terms energy: -247.766136
where:
bonds (distance) C4'-P energy: -48.876
bonds (distance) P-C4' energy: -45.951
flat angles C4'-P-C4' energy: -50.325
flat angles P-C4'-P energy: -39.824
tors. eta vs tors. theta energy: -62.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -805.143669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.143669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.143669 (E_RNA)
where:
Base-Base interactions energy: -583.513
where: short stacking energy: -230.245
Base-Backbone interact. energy: -1.611
local terms energy: -220.019766
where:
bonds (distance) C4'-P energy: -31.517
bonds (distance) P-C4' energy: -43.862
flat angles C4'-P-C4' energy: -62.550
flat angles P-C4'-P energy: -29.746
tors. eta vs tors. theta energy: -52.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -738.462430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.462430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.462430 (E_RNA)
where:
Base-Base interactions energy: -511.912
where: short stacking energy: -190.710
Base-Backbone interact. energy: -2.674
local terms energy: -223.876471
where:
bonds (distance) C4'-P energy: -47.679
bonds (distance) P-C4' energy: -49.423
flat angles C4'-P-C4' energy: -54.801
flat angles P-C4'-P energy: -32.243
tors. eta vs tors. theta energy: -39.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -765.318685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.318685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.318685 (E_RNA)
where:
Base-Base interactions energy: -543.903
where: short stacking energy: -201.714
Base-Backbone interact. energy: -1.222
local terms energy: -220.194309
where:
bonds (distance) C4'-P energy: -51.220
bonds (distance) P-C4' energy: -39.685
flat angles C4'-P-C4' energy: -43.656
flat angles P-C4'-P energy: -31.464
tors. eta vs tors. theta energy: -54.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -595.665007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.665007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.665007 (E_RNA)
where:
Base-Base interactions energy: -398.257
where: short stacking energy: -173.435
Base-Backbone interact. energy: -0.171
local terms energy: -197.237249
where:
bonds (distance) C4'-P energy: -42.759
bonds (distance) P-C4' energy: -42.308
flat angles C4'-P-C4' energy: -49.159
flat angles P-C4'-P energy: -33.012
tors. eta vs tors. theta energy: -30.000
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: 134
Temperature: 1.300000
Total energy: -619.565450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.565450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.565450 (E_RNA)
where:
Base-Base interactions energy: -416.366
where: short stacking energy: -181.145
Base-Backbone interact. energy: -0.445
local terms energy: -202.754062
where:
bonds (distance) C4'-P energy: -45.296
bonds (distance) P-C4' energy: -46.997
flat angles C4'-P-C4' energy: -41.584
flat angles P-C4'-P energy: -26.318
tors. eta vs tors. theta energy: -42.559
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: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -485.037122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.037122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.037122 (E_RNA)
where:
Base-Base interactions energy: -317.698
where: short stacking energy: -141.521
Base-Backbone interact. energy: 3.442
local terms energy: -170.781057
where:
bonds (distance) C4'-P energy: -30.113
bonds (distance) P-C4' energy: -41.247
flat angles C4'-P-C4' energy: -48.686
flat angles P-C4'-P energy: -25.949
tors. eta vs tors. theta energy: -24.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -978.472485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.472485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.472485 (E_RNA)
where:
Base-Base interactions energy: -688.450
where: short stacking energy: -280.926
Base-Backbone interact. energy: -1.327
local terms energy: -288.694752
where:
bonds (distance) C4'-P energy: -54.913
bonds (distance) P-C4' energy: -55.678
flat angles C4'-P-C4' energy: -51.412
flat angles P-C4'-P energy: -39.990
tors. eta vs tors. theta energy: -86.703
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: 6
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -905.479241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.479241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.479241 (E_RNA)
where:
Base-Base interactions energy: -631.985
where: short stacking energy: -267.389
Base-Backbone interact. energy: -1.821
local terms energy: -271.673907
where:
bonds (distance) C4'-P energy: -44.343
bonds (distance) P-C4' energy: -55.696
flat angles C4'-P-C4' energy: -54.818
flat angles P-C4'-P energy: -35.582
tors. eta vs tors. theta energy: -81.235
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: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -930.470651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.470651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.470651 (E_RNA)
where:
Base-Base interactions energy: -651.235
where: short stacking energy: -275.225
Base-Backbone interact. energy: 0.096
local terms energy: -279.331685
where:
bonds (distance) C4'-P energy: -47.644
bonds (distance) P-C4' energy: -49.052
flat angles C4'-P-C4' energy: -58.804
flat angles P-C4'-P energy: -49.466
tors. eta vs tors. theta energy: -74.365
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: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -864.522140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.522140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.522140 (E_RNA)
where:
Base-Base interactions energy: -594.108
where: short stacking energy: -244.449
Base-Backbone interact. energy: -1.613
local terms energy: -268.801374
where:
bonds (distance) C4'-P energy: -57.567
bonds (distance) P-C4' energy: -51.481
flat angles C4'-P-C4' energy: -53.808
flat angles P-C4'-P energy: -40.142
tors. eta vs tors. theta energy: -65.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -836.067342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.067342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.067342 (E_RNA)
where:
Base-Base interactions energy: -581.845
where: short stacking energy: -218.434
Base-Backbone interact. energy: -3.162
local terms energy: -251.060186
where:
bonds (distance) C4'-P energy: -46.736
bonds (distance) P-C4' energy: -50.101
flat angles C4'-P-C4' energy: -58.757
flat angles P-C4'-P energy: -36.661
tors. eta vs tors. theta energy: -58.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -744.206323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.206323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.206323 (E_RNA)
where:
Base-Base interactions energy: -505.285
where: short stacking energy: -201.530
Base-Backbone interact. energy: -1.637
local terms energy: -237.284167
where:
bonds (distance) C4'-P energy: -42.724
bonds (distance) P-C4' energy: -54.526
flat angles C4'-P-C4' energy: -49.243
flat angles P-C4'-P energy: -33.825
tors. eta vs tors. theta energy: -56.966
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: 5
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -731.937127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.937127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.937127 (E_RNA)
where:
Base-Base interactions energy: -504.345
where: short stacking energy: -193.650
Base-Backbone interact. energy: -0.211
local terms energy: -227.381378
where:
bonds (distance) C4'-P energy: -50.991
bonds (distance) P-C4' energy: -46.971
flat angles C4'-P-C4' energy: -48.070
flat angles P-C4'-P energy: -42.321
tors. eta vs tors. theta energy: -39.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -661.778378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.778378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.778378 (E_RNA)
where:
Base-Base interactions energy: -445.396
where: short stacking energy: -199.413
Base-Backbone interact. energy: -1.376
local terms energy: -215.006097
where:
bonds (distance) C4'-P energy: -47.500
bonds (distance) P-C4' energy: -48.684
flat angles C4'-P-C4' energy: -45.466
flat angles P-C4'-P energy: -32.545
tors. eta vs tors. theta energy: -40.812
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: 3
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -576.945689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.945689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.945689 (E_RNA)
where:
Base-Base interactions energy: -371.786
where: short stacking energy: -160.596
Base-Backbone interact. energy: 1.371
local terms energy: -206.531025
where:
bonds (distance) C4'-P energy: -39.739
bonds (distance) P-C4' energy: -52.899
flat angles C4'-P-C4' energy: -46.081
flat angles P-C4'-P energy: -29.827
tors. eta vs tors. theta energy: -37.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -506.647226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.647226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.647226 (E_RNA)
where:
Base-Base interactions energy: -320.767
where: short stacking energy: -163.282
Base-Backbone interact. energy: -0.240
local terms energy: -185.640933
where:
bonds (distance) C4'-P energy: -41.626
bonds (distance) P-C4' energy: -44.134
flat angles C4'-P-C4' energy: -42.027
flat angles P-C4'-P energy: -21.709
tors. eta vs tors. theta energy: -36.145
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: 4
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -980.980908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.980908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.980908 (E_RNA)
where:
Base-Base interactions energy: -682.390
where: short stacking energy: -264.598
Base-Backbone interact. energy: -1.222
local terms energy: -297.368951
where:
bonds (distance) C4'-P energy: -48.434
bonds (distance) P-C4' energy: -64.064
flat angles C4'-P-C4' energy: -57.408
flat angles P-C4'-P energy: -48.351
tors. eta vs tors. theta energy: -79.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -922.337243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.337243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.337243 (E_RNA)
where:
Base-Base interactions energy: -651.188
where: short stacking energy: -264.427
Base-Backbone interact. energy: -1.068
local terms energy: -270.081273
where:
bonds (distance) C4'-P energy: -39.806
bonds (distance) P-C4' energy: -55.776
flat angles C4'-P-C4' energy: -56.804
flat angles P-C4'-P energy: -40.120
tors. eta vs tors. theta energy: -77.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -929.560306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.560306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.560306 (E_RNA)
where:
Base-Base interactions energy: -646.738
where: short stacking energy: -265.410
Base-Backbone interact. energy: -2.150
local terms energy: -280.672917
where:
bonds (distance) C4'-P energy: -46.705
bonds (distance) P-C4' energy: -51.550
flat angles C4'-P-C4' energy: -63.806
flat angles P-C4'-P energy: -39.450
tors. eta vs tors. theta energy: -79.162
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: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -878.804079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.804079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.804079 (E_RNA)
where:
Base-Base interactions energy: -615.273
where: short stacking energy: -249.358
Base-Backbone interact. energy: -1.630
local terms energy: -261.901107
where:
bonds (distance) C4'-P energy: -47.381
bonds (distance) P-C4' energy: -54.195
flat angles C4'-P-C4' energy: -56.411
flat angles P-C4'-P energy: -36.989
tors. eta vs tors. theta energy: -66.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -845.942985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.942985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.942985 (E_RNA)
where:
Base-Base interactions energy: -597.772
where: short stacking energy: -250.074
Base-Backbone interact. energy: -2.276
local terms energy: -245.894678
where:
bonds (distance) C4'-P energy: -49.732
bonds (distance) P-C4' energy: -53.332
flat angles C4'-P-C4' energy: -48.036
flat angles P-C4'-P energy: -30.167
tors. eta vs tors. theta energy: -64.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -734.461840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.461840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.461840 (E_RNA)
where:
Base-Base interactions energy: -510.764
where: short stacking energy: -230.741
Base-Backbone interact. energy: 0.392
local terms energy: -224.090217
where:
bonds (distance) C4'-P energy: -43.529
bonds (distance) P-C4' energy: -49.606
flat angles C4'-P-C4' energy: -49.637
flat angles P-C4'-P energy: -31.680
tors. eta vs tors. theta energy: -49.639
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: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -698.118003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.118003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.118003 (E_RNA)
where:
Base-Base interactions energy: -499.177
where: short stacking energy: -190.156
Base-Backbone interact. energy: -0.286
local terms energy: -198.655278
where:
bonds (distance) C4'-P energy: -39.225
bonds (distance) P-C4' energy: -43.153
flat angles C4'-P-C4' energy: -45.956
flat angles P-C4'-P energy: -32.443
tors. eta vs tors. theta energy: -37.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -638.770532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.770532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.770532 (E_RNA)
where:
Base-Base interactions energy: -427.361
where: short stacking energy: -157.198
Base-Backbone interact. energy: -1.280
local terms energy: -210.129403
where:
bonds (distance) C4'-P energy: -40.393
bonds (distance) P-C4' energy: -50.722
flat angles C4'-P-C4' energy: -54.039
flat angles P-C4'-P energy: -35.718
tors. eta vs tors. theta energy: -29.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -570.912903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.912903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.912903 (E_RNA)
where:
Base-Base interactions energy: -382.660
where: short stacking energy: -157.991
Base-Backbone interact. energy: 1.532
local terms energy: -189.785377
where:
bonds (distance) C4'-P energy: -40.879
bonds (distance) P-C4' energy: -46.891
flat angles C4'-P-C4' energy: -47.090
flat angles P-C4'-P energy: -22.224
tors. eta vs tors. theta energy: -32.701
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: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -500.579158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.579158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.579158 (E_RNA)
where:
Base-Base interactions energy: -311.059
where: short stacking energy: -144.690
Base-Backbone interact. energy: -0.781
local terms energy: -188.738589
where:
bonds (distance) C4'-P energy: -46.939
bonds (distance) P-C4' energy: -33.169
flat angles C4'-P-C4' energy: -43.932
flat angles P-C4'-P energy: -27.416
tors. eta vs tors. theta energy: -37.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -973.573405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.573405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.573405 (E_RNA)
where:
Base-Base interactions energy: -680.817
where: short stacking energy: -268.329
Base-Backbone interact. energy: -1.854
local terms energy: -290.902782
where:
bonds (distance) C4'-P energy: -53.841
bonds (distance) P-C4' energy: -53.855
flat angles C4'-P-C4' energy: -56.475
flat angles P-C4'-P energy: -42.609
tors. eta vs tors. theta energy: -84.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -930.640694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.640694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.640694 (E_RNA)
where:
Base-Base interactions energy: -663.092
where: short stacking energy: -253.447
Base-Backbone interact. energy: -0.703
local terms energy: -266.844741
where:
bonds (distance) C4'-P energy: -48.065
bonds (distance) P-C4' energy: -52.725
flat angles C4'-P-C4' energy: -63.217
flat angles P-C4'-P energy: -32.073
tors. eta vs tors. theta energy: -70.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -922.973511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.973511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.973511 (E_RNA)
where:
Base-Base interactions energy: -639.374
where: short stacking energy: -246.493
Base-Backbone interact. energy: -0.129
local terms energy: -283.470452
where:
bonds (distance) C4'-P energy: -65.329
bonds (distance) P-C4' energy: -50.633
flat angles C4'-P-C4' energy: -56.177
flat angles P-C4'-P energy: -41.491
tors. eta vs tors. theta energy: -69.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -896.890693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.890693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.890693 (E_RNA)
where:
Base-Base interactions energy: -617.257
where: short stacking energy: -254.964
Base-Backbone interact. energy: -1.809
local terms energy: -277.824824
where:
bonds (distance) C4'-P energy: -47.847
bonds (distance) P-C4' energy: -49.856
flat angles C4'-P-C4' energy: -61.265
flat angles P-C4'-P energy: -39.870
tors. eta vs tors. theta energy: -78.987
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: 2
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -860.530580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.530580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.530580 (E_RNA)
where:
Base-Base interactions energy: -595.943
where: short stacking energy: -247.546
Base-Backbone interact. energy: -1.329
local terms energy: -263.259402
where:
bonds (distance) C4'-P energy: -50.702
bonds (distance) P-C4' energy: -50.324
flat angles C4'-P-C4' energy: -57.317
flat angles P-C4'-P energy: -34.174
tors. eta vs tors. theta energy: -70.742
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: 6, replica: 7
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -745.635466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.635466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.635466 (E_RNA)
where:
Base-Base interactions energy: -509.287
where: short stacking energy: -214.031
Base-Backbone interact. energy: -1.823
local terms energy: -234.525401
where:
bonds (distance) C4'-P energy: -42.141
bonds (distance) P-C4' energy: -55.941
flat angles C4'-P-C4' energy: -40.854
flat angles P-C4'-P energy: -39.549
tors. eta vs tors. theta energy: -56.040
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: 5
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -708.418817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.418817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.418817 (E_RNA)
where:
Base-Base interactions energy: -490.944
where: short stacking energy: -208.668
Base-Backbone interact. energy: 0.095
local terms energy: -217.570170
where:
bonds (distance) C4'-P energy: -31.495
bonds (distance) P-C4' energy: -41.356
flat angles C4'-P-C4' energy: -57.396
flat angles P-C4'-P energy: -35.931
tors. eta vs tors. theta energy: -51.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -640.343327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.343327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.343327 (E_RNA)
where:
Base-Base interactions energy: -418.547
where: short stacking energy: -177.527
Base-Backbone interact. energy: -1.755
local terms energy: -220.041729
where:
bonds (distance) C4'-P energy: -49.240
bonds (distance) P-C4' energy: -45.276
flat angles C4'-P-C4' energy: -46.024
flat angles P-C4'-P energy: -37.306
tors. eta vs tors. theta energy: -42.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -566.339102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.339102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.339102 (E_RNA)
where:
Base-Base interactions energy: -364.048
where: short stacking energy: -154.673
Base-Backbone interact. energy: -0.633
local terms energy: -201.658304
where:
bonds (distance) C4'-P energy: -41.497
bonds (distance) P-C4' energy: -54.922
flat angles C4'-P-C4' energy: -45.970
flat angles P-C4'-P energy: -29.156
tors. eta vs tors. theta energy: -30.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -498.864772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.864772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.864772 (E_RNA)
where:
Base-Base interactions energy: -320.706
where: short stacking energy: -145.599
Base-Backbone interact. energy: -0.971
local terms energy: -177.188605
where:
bonds (distance) C4'-P energy: -37.709
bonds (distance) P-C4' energy: -42.490
flat angles C4'-P-C4' energy: -44.705
flat angles P-C4'-P energy: -26.869
tors. eta vs tors. theta energy: -25.415
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: 1, replica: 4
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -958.801086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.801086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.801086 (E_RNA)
where:
Base-Base interactions energy: -682.192
where: short stacking energy: -250.158
Base-Backbone interact. energy: -1.285
local terms energy: -275.323951
where:
bonds (distance) C4'-P energy: -49.098
bonds (distance) P-C4' energy: -54.619
flat angles C4'-P-C4' energy: -62.446
flat angles P-C4'-P energy: -32.856
tors. eta vs tors. theta energy: -76.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -947.666441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.666441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.666441 (E_RNA)
where:
Base-Base interactions energy: -655.976
where: short stacking energy: -265.867
Base-Backbone interact. energy: -1.592
local terms energy: -290.098015
where:
bonds (distance) C4'-P energy: -54.530
bonds (distance) P-C4' energy: -55.424
flat angles C4'-P-C4' energy: -55.021
flat angles P-C4'-P energy: -41.170
tors. eta vs tors. theta energy: -83.953
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: 3, replica: 10
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -925.293165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.293165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.293165 (E_RNA)
where:
Base-Base interactions energy: -641.068
where: short stacking energy: -245.720
Base-Backbone interact. energy: -2.038
local terms energy: -282.186867
where:
bonds (distance) C4'-P energy: -55.542
bonds (distance) P-C4' energy: -55.994
flat angles C4'-P-C4' energy: -56.546
flat angles P-C4'-P energy: -40.598
tors. eta vs tors. theta energy: -73.507
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: 4, replica: 1
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -908.467653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.467653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.467653 (E_RNA)
where:
Base-Base interactions energy: -658.350
where: short stacking energy: -274.233
Base-Backbone interact. energy: -0.158
local terms energy: -249.960051
where:
bonds (distance) C4'-P energy: -53.019
bonds (distance) P-C4' energy: -42.009
flat angles C4'-P-C4' energy: -43.592
flat angles P-C4'-P energy: -36.216
tors. eta vs tors. theta energy: -75.123
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: 2
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -826.368035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.368035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.368035 (E_RNA)
where:
Base-Base interactions energy: -573.349
where: short stacking energy: -238.623
Base-Backbone interact. energy: -2.283
local terms energy: -250.736209
where:
bonds (distance) C4'-P energy: -43.541
bonds (distance) P-C4' energy: -49.937
flat angles C4'-P-C4' energy: -59.353
flat angles P-C4'-P energy: -33.757
tors. eta vs tors. theta energy: -64.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -747.577928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.577928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.577928 (E_RNA)
where:
Base-Base interactions energy: -521.493
where: short stacking energy: -217.888
Base-Backbone interact. energy: -2.357
local terms energy: -223.727590
where:
bonds (distance) C4'-P energy: -42.607
bonds (distance) P-C4' energy: -48.065
flat angles C4'-P-C4' energy: -48.937
flat angles P-C4'-P energy: -31.639
tors. eta vs tors. theta energy: -52.480
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: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -717.333559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.333559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.333559 (E_RNA)
where:
Base-Base interactions energy: -488.869
where: short stacking energy: -193.016
Base-Backbone interact. energy: -1.908
local terms energy: -226.556756
where:
bonds (distance) C4'-P energy: -38.720
bonds (distance) P-C4' energy: -56.074
flat angles C4'-P-C4' energy: -55.902
flat angles P-C4'-P energy: -36.658
tors. eta vs tors. theta energy: -39.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -656.618158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.618158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.618158 (E_RNA)
where:
Base-Base interactions energy: -440.251
where: short stacking energy: -194.454
Base-Backbone interact. energy: -0.890
local terms energy: -215.477226
where:
bonds (distance) C4'-P energy: -49.291
bonds (distance) P-C4' energy: -39.580
flat angles C4'-P-C4' energy: -47.513
flat angles P-C4'-P energy: -38.787
tors. eta vs tors. theta energy: -40.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -594.388969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.388969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.388969 (E_RNA)
where:
Base-Base interactions energy: -386.147
where: short stacking energy: -165.523
Base-Backbone interact. energy: 0.925
local terms energy: -209.166829
where:
bonds (distance) C4'-P energy: -38.088
bonds (distance) P-C4' energy: -45.909
flat angles C4'-P-C4' energy: -53.427
flat angles P-C4'-P energy: -31.246
tors. eta vs tors. theta energy: -40.497
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: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -514.697805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.697805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.697805 (E_RNA)
where:
Base-Base interactions energy: -316.071
where: short stacking energy: -142.746
Base-Backbone interact. energy: 2.770
local terms energy: -201.396652
where:
bonds (distance) C4'-P energy: -38.103
bonds (distance) P-C4' energy: -55.144
flat angles C4'-P-C4' energy: -51.078
flat angles P-C4'-P energy: -29.615
tors. eta vs tors. theta energy: -27.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -956.379425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.379425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.379425 (E_RNA)
where:
Base-Base interactions energy: -676.646
where: short stacking energy: -259.679
Base-Backbone interact. energy: -0.642
local terms energy: -279.091670
where:
bonds (distance) C4'-P energy: -54.464
bonds (distance) P-C4' energy: -53.733
flat angles C4'-P-C4' energy: -50.713
flat angles P-C4'-P energy: -38.427
tors. eta vs tors. theta energy: -81.755
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: 6
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -933.042846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.042846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.042846 (E_RNA)
where:
Base-Base interactions energy: -659.284
where: short stacking energy: -265.192
Base-Backbone interact. energy: 6.043
local terms energy: -279.801579
where:
bonds (distance) C4'-P energy: -54.040
bonds (distance) P-C4' energy: -54.847
flat angles C4'-P-C4' energy: -52.446
flat angles P-C4'-P energy: -42.643
tors. eta vs tors. theta energy: -75.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -905.370321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.370321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.370321 (E_RNA)
where:
Base-Base interactions energy: -641.498
where: short stacking energy: -251.029
Base-Backbone interact. energy: -0.864
local terms energy: -263.008345
where:
bonds (distance) C4'-P energy: -46.961
bonds (distance) P-C4' energy: -49.838
flat angles C4'-P-C4' energy: -52.328
flat angles P-C4'-P energy: -44.709
tors. eta vs tors. theta energy: -69.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -894.176734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.176734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.176734 (E_RNA)
where:
Base-Base interactions energy: -612.402
where: short stacking energy: -250.225
Base-Backbone interact. energy: -1.350
local terms energy: -280.424242
where:
bonds (distance) C4'-P energy: -55.439
bonds (distance) P-C4' energy: -53.038
flat angles C4'-P-C4' energy: -58.214
flat angles P-C4'-P energy: -38.615
tors. eta vs tors. theta energy: -75.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -839.941321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.941321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.941321 (E_RNA)
where:
Base-Base interactions energy: -573.390
where: short stacking energy: -237.394
Base-Backbone interact. energy: 1.656
local terms energy: -268.207174
where:
bonds (distance) C4'-P energy: -52.996
bonds (distance) P-C4' energy: -48.579
flat angles C4'-P-C4' energy: -60.319
flat angles P-C4'-P energy: -35.001
tors. eta vs tors. theta energy: -71.313
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: 6, replica: 7
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -753.334519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.334519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.334519 (E_RNA)
where:
Base-Base interactions energy: -515.840
where: short stacking energy: -208.952
Base-Backbone interact. energy: -2.291
local terms energy: -235.203561
where:
bonds (distance) C4'-P energy: -50.446
bonds (distance) P-C4' energy: -53.317
flat angles C4'-P-C4' energy: -46.565
flat angles P-C4'-P energy: -37.108
tors. eta vs tors. theta energy: -47.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -726.789134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.789134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.789134 (E_RNA)
where:
Base-Base interactions energy: -488.156
where: short stacking energy: -196.150
Base-Backbone interact. energy: -1.634
local terms energy: -236.999781
where:
bonds (distance) C4'-P energy: -48.376
bonds (distance) P-C4' energy: -53.266
flat angles C4'-P-C4' energy: -53.239
flat angles P-C4'-P energy: -36.731
tors. eta vs tors. theta energy: -45.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -673.642964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.642964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.642964 (E_RNA)
where:
Base-Base interactions energy: -429.094
where: short stacking energy: -192.504
Base-Backbone interact. energy: -0.781
local terms energy: -243.767935
where:
bonds (distance) C4'-P energy: -46.400
bonds (distance) P-C4' energy: -51.599
flat angles C4'-P-C4' energy: -55.537
flat angles P-C4'-P energy: -39.957
tors. eta vs tors. theta energy: -50.275
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: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -610.696132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.696132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.696132 (E_RNA)
where:
Base-Base interactions energy: -399.933
where: short stacking energy: -174.940
Base-Backbone interact. energy: -2.364
local terms energy: -208.398708
where:
bonds (distance) C4'-P energy: -34.919
bonds (distance) P-C4' energy: -41.355
flat angles C4'-P-C4' energy: -49.657
flat angles P-C4'-P energy: -35.151
tors. eta vs tors. theta energy: -47.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -499.148869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.148869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.148869 (E_RNA)
where:
Base-Base interactions energy: -329.328
where: short stacking energy: -144.726
Base-Backbone interact. energy: -0.257
local terms energy: -169.563760
where:
bonds (distance) C4'-P energy: -27.727
bonds (distance) P-C4' energy: -40.614
flat angles C4'-P-C4' energy: -45.005
flat angles P-C4'-P energy: -24.694
tors. eta vs tors. theta energy: -31.524
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: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -981.336042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.336042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.336042 (E_RNA)
where:
Base-Base interactions energy: -711.016
where: short stacking energy: -272.714
Base-Backbone interact. energy: -1.546
local terms energy: -268.773624
where:
bonds (distance) C4'-P energy: -46.143
bonds (distance) P-C4' energy: -47.425
flat angles C4'-P-C4' energy: -54.208
flat angles P-C4'-P energy: -39.161
tors. eta vs tors. theta energy: -81.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -919.717818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.717818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.717818 (E_RNA)
where:
Base-Base interactions energy: -636.756
where: short stacking energy: -246.397
Base-Backbone interact. energy: -2.437
local terms energy: -280.525185
where:
bonds (distance) C4'-P energy: -58.023
bonds (distance) P-C4' energy: -51.550
flat angles C4'-P-C4' energy: -58.673
flat angles P-C4'-P energy: -41.318
tors. eta vs tors. theta energy: -70.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -914.648749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.648749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.648749 (E_RNA)
where:
Base-Base interactions energy: -637.544
where: short stacking energy: -270.922
Base-Backbone interact. energy: -1.905
local terms energy: -275.200092
where:
bonds (distance) C4'-P energy: -50.930
bonds (distance) P-C4' energy: -54.698
flat angles C4'-P-C4' energy: -59.727
flat angles P-C4'-P energy: -39.934
tors. eta vs tors. theta energy: -69.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -898.811700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.811700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.811700 (E_RNA)
where:
Base-Base interactions energy: -637.741
where: short stacking energy: -249.864
Base-Backbone interact. energy: -1.360
local terms energy: -259.710266
where:
bonds (distance) C4'-P energy: -46.254
bonds (distance) P-C4' energy: -46.313
flat angles C4'-P-C4' energy: -53.732
flat angles P-C4'-P energy: -36.677
tors. eta vs tors. theta energy: -76.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -839.741813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.741813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.741813 (E_RNA)
where:
Base-Base interactions energy: -586.325
where: short stacking energy: -228.088
Base-Backbone interact. energy: -3.229
local terms energy: -250.187184
where:
bonds (distance) C4'-P energy: -42.705
bonds (distance) P-C4' energy: -43.259
flat angles C4'-P-C4' energy: -59.735
flat angles P-C4'-P energy: -37.116
tors. eta vs tors. theta energy: -67.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -770.267124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.267124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.267124 (E_RNA)
where:
Base-Base interactions energy: -528.950
where: short stacking energy: -212.998
Base-Backbone interact. energy: -1.245
local terms energy: -240.071460
where:
bonds (distance) C4'-P energy: -44.361
bonds (distance) P-C4' energy: -48.244
flat angles C4'-P-C4' energy: -52.306
flat angles P-C4'-P energy: -34.691
tors. eta vs tors. theta energy: -60.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -745.663185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.663185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.663185 (E_RNA)
where:
Base-Base interactions energy: -494.999
where: short stacking energy: -210.969
Base-Backbone interact. energy: -0.689
local terms energy: -249.975409
where:
bonds (distance) C4'-P energy: -46.953
bonds (distance) P-C4' energy: -52.850
flat angles C4'-P-C4' energy: -55.902
flat angles P-C4'-P energy: -40.560
tors. eta vs tors. theta energy: -53.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -642.726518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.726518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.726518 (E_RNA)
where:
Base-Base interactions energy: -413.261
where: short stacking energy: -172.243
Base-Backbone interact. energy: -2.635
local terms energy: -226.830655
where:
bonds (distance) C4'-P energy: -48.797
bonds (distance) P-C4' energy: -48.515
flat angles C4'-P-C4' energy: -53.489
flat angles P-C4'-P energy: -36.977
tors. eta vs tors. theta energy: -39.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -600.852934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.852934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.852934 (E_RNA)
where:
Base-Base interactions energy: -383.092
where: short stacking energy: -175.142
Base-Backbone interact. energy: -1.585
local terms energy: -216.175852
where:
bonds (distance) C4'-P energy: -45.418
bonds (distance) P-C4' energy: -55.053
flat angles C4'-P-C4' energy: -45.276
flat angles P-C4'-P energy: -32.411
tors. eta vs tors. theta energy: -38.018
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: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -474.019380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.019380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.019380 (E_RNA)
where:
Base-Base interactions energy: -302.699
where: short stacking energy: -135.288
Base-Backbone interact. energy: -0.521
local terms energy: -170.799386
where:
bonds (distance) C4'-P energy: -52.981
bonds (distance) P-C4' energy: -34.107
flat angles C4'-P-C4' energy: -41.338
flat angles P-C4'-P energy: -31.491
tors. eta vs tors. theta energy: -10.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -970.551542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.551542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.551542 (E_RNA)
where:
Base-Base interactions energy: -696.126
where: short stacking energy: -274.703
Base-Backbone interact. energy: -0.975
local terms energy: -273.450399
where:
bonds (distance) C4'-P energy: -59.367
bonds (distance) P-C4' energy: -52.964
flat angles C4'-P-C4' energy: -51.939
flat angles P-C4'-P energy: -36.594
tors. eta vs tors. theta energy: -72.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -920.990168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.990168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.990168 (E_RNA)
where:
Base-Base interactions energy: -640.746
where: short stacking energy: -264.575
Base-Backbone interact. energy: -0.711
local terms energy: -279.533191
where:
bonds (distance) C4'-P energy: -50.154
bonds (distance) P-C4' energy: -61.422
flat angles C4'-P-C4' energy: -53.778
flat angles P-C4'-P energy: -39.884
tors. eta vs tors. theta energy: -74.295
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: 6
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -889.044904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.044904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.044904 (E_RNA)
where:
Base-Base interactions energy: -616.194
where: short stacking energy: -249.442
Base-Backbone interact. energy: 4.118
local terms energy: -276.967942
where:
bonds (distance) C4'-P energy: -53.924
bonds (distance) P-C4' energy: -61.280
flat angles C4'-P-C4' energy: -53.999
flat angles P-C4'-P energy: -38.007
tors. eta vs tors. theta energy: -69.757
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: 10
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -917.500975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.500975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.500975 (E_RNA)
where:
Base-Base interactions energy: -644.412
where: short stacking energy: -253.688
Base-Backbone interact. energy: -1.715
local terms energy: -271.373511
where:
bonds (distance) C4'-P energy: -49.435
bonds (distance) P-C4' energy: -57.082
flat angles C4'-P-C4' energy: -50.324
flat angles P-C4'-P energy: -34.855
tors. eta vs tors. theta energy: -79.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -842.796510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.796510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.796510 (E_RNA)
where:
Base-Base interactions energy: -579.820
where: short stacking energy: -250.248
Base-Backbone interact. energy: -0.755
local terms energy: -262.221476
where:
bonds (distance) C4'-P energy: -36.923
bonds (distance) P-C4' energy: -59.228
flat angles C4'-P-C4' energy: -55.000
flat angles P-C4'-P energy: -39.030
tors. eta vs tors. theta energy: -72.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -760.893448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.893448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.893448 (E_RNA)
where:
Base-Base interactions energy: -521.200
where: short stacking energy: -221.883
Base-Backbone interact. energy: 0.527
local terms energy: -240.220574
where:
bonds (distance) C4'-P energy: -51.421
bonds (distance) P-C4' energy: -36.361
flat angles C4'-P-C4' energy: -54.423
flat angles P-C4'-P energy: -43.401
tors. eta vs tors. theta energy: -54.614
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: 7, replica: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -741.840754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.840754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.840754 (E_RNA)
where:
Base-Base interactions energy: -524.113
where: short stacking energy: -222.395
Base-Backbone interact. energy: 2.713
local terms energy: -220.440938
where:
bonds (distance) C4'-P energy: -28.044
bonds (distance) P-C4' energy: -49.217
flat angles C4'-P-C4' energy: -49.970
flat angles P-C4'-P energy: -36.603
tors. eta vs tors. theta energy: -56.607
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: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -641.880216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.880216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.880216 (E_RNA)
where:
Base-Base interactions energy: -431.414
where: short stacking energy: -188.109
Base-Backbone interact. energy: -2.108
local terms energy: -208.358942
where:
bonds (distance) C4'-P energy: -48.360
bonds (distance) P-C4' energy: -44.595
flat angles C4'-P-C4' energy: -52.420
flat angles P-C4'-P energy: -26.704
tors. eta vs tors. theta energy: -36.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -515.168197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.168197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.168197 (E_RNA)
where:
Base-Base interactions energy: -332.013
where: short stacking energy: -142.936
Base-Backbone interact. energy: -1.832
local terms energy: -181.323243
where:
bonds (distance) C4'-P energy: -46.452
bonds (distance) P-C4' energy: -45.788
flat angles C4'-P-C4' energy: -31.958
flat angles P-C4'-P energy: -32.378
tors. eta vs tors. theta energy: -24.747
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: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -464.148597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.148597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.148597 (E_RNA)
where:
Base-Base interactions energy: -287.605
where: short stacking energy: -124.730
Base-Backbone interact. energy: -0.561
local terms energy: -175.982369
where:
bonds (distance) C4'-P energy: -41.127
bonds (distance) P-C4' energy: -45.305
flat angles C4'-P-C4' energy: -45.509
flat angles P-C4'-P energy: -28.349
tors. eta vs tors. theta energy: -15.692
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: 1, replica: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -919.782774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.782774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.782774 (E_RNA)
where:
Base-Base interactions energy: -649.113
where: short stacking energy: -273.301
Base-Backbone interact. energy: -2.204
local terms energy: -268.465780
where:
bonds (distance) C4'-P energy: -49.991
bonds (distance) P-C4' energy: -48.811
flat angles C4'-P-C4' energy: -56.071
flat angles P-C4'-P energy: -38.994
tors. eta vs tors. theta energy: -74.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -959.174258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.174258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.174258 (E_RNA)
where:
Base-Base interactions energy: -674.755
where: short stacking energy: -280.276
Base-Backbone interact. energy: -2.563
local terms energy: -281.856323
where:
bonds (distance) C4'-P energy: -43.993
bonds (distance) P-C4' energy: -51.994
flat angles C4'-P-C4' energy: -61.507
flat angles P-C4'-P energy: -37.123
tors. eta vs tors. theta energy: -87.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -918.529865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.529865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.529865 (E_RNA)
where:
Base-Base interactions energy: -655.301
where: short stacking energy: -266.293
Base-Backbone interact. energy: -1.787
local terms energy: -261.442395
where:
bonds (distance) C4'-P energy: -43.966
bonds (distance) P-C4' energy: -56.887
flat angles C4'-P-C4' energy: -50.094
flat angles P-C4'-P energy: -36.165
tors. eta vs tors. theta energy: -74.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -880.178926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.178926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.178926 (E_RNA)
where:
Base-Base interactions energy: -617.967
where: short stacking energy: -257.963
Base-Backbone interact. energy: -0.258
local terms energy: -261.953888
where:
bonds (distance) C4'-P energy: -50.532
bonds (distance) P-C4' energy: -52.587
flat angles C4'-P-C4' energy: -59.363
flat angles P-C4'-P energy: -26.298
tors. eta vs tors. theta energy: -73.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -833.460074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.460074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.460074 (E_RNA)
where:
Base-Base interactions energy: -575.634
where: short stacking energy: -249.551
Base-Backbone interact. energy: -1.545
local terms energy: -256.280567
where:
bonds (distance) C4'-P energy: -45.724
bonds (distance) P-C4' energy: -48.777
flat angles C4'-P-C4' energy: -55.362
flat angles P-C4'-P energy: -35.087
tors. eta vs tors. theta energy: -71.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -757.423632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.423632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.423632 (E_RNA)
where:
Base-Base interactions energy: -521.691
where: short stacking energy: -206.916
Base-Backbone interact. energy: 1.294
local terms energy: -237.026624
where:
bonds (distance) C4'-P energy: -46.938
bonds (distance) P-C4' energy: -55.737
flat angles C4'-P-C4' energy: -49.107
flat angles P-C4'-P energy: -34.421
tors. eta vs tors. theta energy: -50.825
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: 7
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -722.240720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.240720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.240720 (E_RNA)
where:
Base-Base interactions energy: -486.568
where: short stacking energy: -200.028
Base-Backbone interact. energy: -2.096
local terms energy: -233.576135
where:
bonds (distance) C4'-P energy: -43.223
bonds (distance) P-C4' energy: -47.631
flat angles C4'-P-C4' energy: -55.002
flat angles P-C4'-P energy: -34.505
tors. eta vs tors. theta energy: -53.214
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: 9
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -649.448768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.448768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.448768 (E_RNA)
where:
Base-Base interactions energy: -445.057
where: short stacking energy: -175.834
Base-Backbone interact. energy: -0.337
local terms energy: -204.054923
where:
bonds (distance) C4'-P energy: -38.355
bonds (distance) P-C4' energy: -45.847
flat angles C4'-P-C4' energy: -47.636
flat angles P-C4'-P energy: -24.928
tors. eta vs tors. theta energy: -47.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -543.766145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.766145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.766145 (E_RNA)
where:
Base-Base interactions energy: -334.419
where: short stacking energy: -163.257
Base-Backbone interact. energy: -0.580
local terms energy: -208.767617
where:
bonds (distance) C4'-P energy: -44.469
bonds (distance) P-C4' energy: -53.471
flat angles C4'-P-C4' energy: -39.123
flat angles P-C4'-P energy: -29.097
tors. eta vs tors. theta energy: -42.607
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: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -479.071934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.071934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.071934 (E_RNA)
where:
Base-Base interactions energy: -314.410
where: short stacking energy: -131.201
Base-Backbone interact. energy: 2.104
local terms energy: -166.766432
where:
bonds (distance) C4'-P energy: -50.037
bonds (distance) P-C4' energy: -46.099
flat angles C4'-P-C4' energy: -38.273
flat angles P-C4'-P energy: -25.695
tors. eta vs tors. theta energy: -6.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -953.700729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.700729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.700729 (E_RNA)
where:
Base-Base interactions energy: -676.718
where: short stacking energy: -252.297
Base-Backbone interact. energy: -0.820
local terms energy: -276.161979
where:
bonds (distance) C4'-P energy: -54.228
bonds (distance) P-C4' energy: -56.460
flat angles C4'-P-C4' energy: -57.417
flat angles P-C4'-P energy: -36.805
tors. eta vs tors. theta energy: -71.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -935.050751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.050751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.050751 (E_RNA)
where:
Base-Base interactions energy: -646.244
where: short stacking energy: -258.816
Base-Backbone interact. energy: -1.084
local terms energy: -287.722427
where:
bonds (distance) C4'-P energy: -46.496
bonds (distance) P-C4' energy: -56.589
flat angles C4'-P-C4' energy: -59.158
flat angles P-C4'-P energy: -49.135
tors. eta vs tors. theta energy: -76.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -937.261724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.261724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.261724 (E_RNA)
where:
Base-Base interactions energy: -658.143
where: short stacking energy: -257.480
Base-Backbone interact. energy: -0.077
local terms energy: -279.041059
where:
bonds (distance) C4'-P energy: -48.744
bonds (distance) P-C4' energy: -59.889
flat angles C4'-P-C4' energy: -56.032
flat angles P-C4'-P energy: -43.699
tors. eta vs tors. theta energy: -70.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -873.250449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.250449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.250449 (E_RNA)
where:
Base-Base interactions energy: -584.472
where: short stacking energy: -236.513
Base-Backbone interact. energy: -0.596
local terms energy: -288.182887
where:
bonds (distance) C4'-P energy: -60.355
bonds (distance) P-C4' energy: -53.222
flat angles C4'-P-C4' energy: -55.609
flat angles P-C4'-P energy: -43.992
tors. eta vs tors. theta energy: -75.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -823.573820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.573820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.573820 (E_RNA)
where:
Base-Base interactions energy: -564.474
where: short stacking energy: -236.699
Base-Backbone interact. energy: -1.992
local terms energy: -257.107492
where:
bonds (distance) C4'-P energy: -41.892
bonds (distance) P-C4' energy: -45.284
flat angles C4'-P-C4' energy: -54.178
flat angles P-C4'-P energy: -46.792
tors. eta vs tors. theta energy: -68.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -736.734027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.734027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.734027 (E_RNA)
where:
Base-Base interactions energy: -518.550
where: short stacking energy: -203.625
Base-Backbone interact. energy: -0.683
local terms energy: -217.500424
where:
bonds (distance) C4'-P energy: -47.111
bonds (distance) P-C4' energy: -48.331
flat angles C4'-P-C4' energy: -48.784
flat angles P-C4'-P energy: -28.863
tors. eta vs tors. theta energy: -44.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -720.777423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.777423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.777423 (E_RNA)
where:
Base-Base interactions energy: -496.217
where: short stacking energy: -203.196
Base-Backbone interact. energy: -1.492
local terms energy: -223.067532
where:
bonds (distance) C4'-P energy: -36.088
bonds (distance) P-C4' energy: -47.926
flat angles C4'-P-C4' energy: -48.677
flat angles P-C4'-P energy: -39.636
tors. eta vs tors. theta energy: -50.740
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: 9
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -608.977760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.977760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.977760 (E_RNA)
where:
Base-Base interactions energy: -417.583
where: short stacking energy: -176.737
Base-Backbone interact. energy: -0.949
local terms energy: -190.445918
where:
bonds (distance) C4'-P energy: -42.877
bonds (distance) P-C4' energy: -56.561
flat angles C4'-P-C4' energy: -31.927
flat angles P-C4'-P energy: -22.512
tors. eta vs tors. theta energy: -36.569
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: 9, replica: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -531.687213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.687213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.687213 (E_RNA)
where:
Base-Base interactions energy: -355.287
where: short stacking energy: -165.015
Base-Backbone interact. energy: 3.174
local terms energy: -179.573471
where:
bonds (distance) C4'-P energy: -39.067
bonds (distance) P-C4' energy: -39.386
flat angles C4'-P-C4' energy: -49.034
flat angles P-C4'-P energy: -25.972
tors. eta vs tors. theta energy: -26.115
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: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -499.093073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.093073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.093073 (E_RNA)
where:
Base-Base interactions energy: -324.665
where: short stacking energy: -134.588
Base-Backbone interact. energy: -0.411
local terms energy: -174.017718
where:
bonds (distance) C4'-P energy: -41.202
bonds (distance) P-C4' energy: -42.519
flat angles C4'-P-C4' energy: -49.323
flat angles P-C4'-P energy: -19.329
tors. eta vs tors. theta energy: -21.644
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: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -959.188907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.188907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.188907 (E_RNA)
where:
Base-Base interactions energy: -677.399
where: short stacking energy: -281.529
Base-Backbone interact. energy: -0.645
local terms energy: -281.145290
where:
bonds (distance) C4'-P energy: -55.384
bonds (distance) P-C4' energy: -60.727
flat angles C4'-P-C4' energy: -50.994
flat angles P-C4'-P energy: -39.576
tors. eta vs tors. theta energy: -74.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -942.654980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.654980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.654980 (E_RNA)
where:
Base-Base interactions energy: -661.434
where: short stacking energy: -254.631
Base-Backbone interact. energy: -1.877
local terms energy: -279.343716
where:
bonds (distance) C4'-P energy: -54.966
bonds (distance) P-C4' energy: -54.407
flat angles C4'-P-C4' energy: -57.001
flat angles P-C4'-P energy: -36.650
tors. eta vs tors. theta energy: -76.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -929.906404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.906404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.906404 (E_RNA)
where:
Base-Base interactions energy: -650.795
where: short stacking energy: -269.912
Base-Backbone interact. energy: 1.500
local terms energy: -280.611487
where:
bonds (distance) C4'-P energy: -40.437
bonds (distance) P-C4' energy: -57.615
flat angles C4'-P-C4' energy: -62.148
flat angles P-C4'-P energy: -41.241
tors. eta vs tors. theta energy: -79.170
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: 6
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -867.107816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.107816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.107816 (E_RNA)
where:
Base-Base interactions energy: -603.934
where: short stacking energy: -240.740
Base-Backbone interact. energy: 0.213
local terms energy: -263.387231
where:
bonds (distance) C4'-P energy: -50.196
bonds (distance) P-C4' energy: -52.807
flat angles C4'-P-C4' energy: -49.828
flat angles P-C4'-P energy: -40.216
tors. eta vs tors. theta energy: -70.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -854.658097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.658097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.658097 (E_RNA)
where:
Base-Base interactions energy: -586.495
where: short stacking energy: -248.761
Base-Backbone interact. energy: -1.822
local terms energy: -266.340889
where:
bonds (distance) C4'-P energy: -41.807
bonds (distance) P-C4' energy: -53.202
flat angles C4'-P-C4' energy: -66.715
flat angles P-C4'-P energy: -33.670
tors. eta vs tors. theta energy: -70.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -707.367600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.367600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.367600 (E_RNA)
where:
Base-Base interactions energy: -484.543
where: short stacking energy: -200.525
Base-Backbone interact. energy: -1.389
local terms energy: -221.435686
where:
bonds (distance) C4'-P energy: -46.842
bonds (distance) P-C4' energy: -44.339
flat angles C4'-P-C4' energy: -42.515
flat angles P-C4'-P energy: -37.435
tors. eta vs tors. theta energy: -50.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -664.735386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.735386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.735386 (E_RNA)
where:
Base-Base interactions energy: -434.588
where: short stacking energy: -183.331
Base-Backbone interact. energy: -0.439
local terms energy: -229.707665
where:
bonds (distance) C4'-P energy: -46.246
bonds (distance) P-C4' energy: -54.352
flat angles C4'-P-C4' energy: -51.461
flat angles P-C4'-P energy: -35.904
tors. eta vs tors. theta energy: -41.744
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: 144
Temperature: 1.250000
Total energy: -703.399285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.399285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.399285 (E_RNA)
where:
Base-Base interactions energy: -486.111
where: short stacking energy: -204.062
Base-Backbone interact. energy: -1.704
local terms energy: -215.584648
where:
bonds (distance) C4'-P energy: -46.770
bonds (distance) P-C4' energy: -47.412
flat angles C4'-P-C4' energy: -47.186
flat angles P-C4'-P energy: -25.601
tors. eta vs tors. theta energy: -48.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -547.938495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.938495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.938495 (E_RNA)
where:
Base-Base interactions energy: -350.854
where: short stacking energy: -162.414
Base-Backbone interact. energy: 5.735
local terms energy: -202.819232
where:
bonds (distance) C4'-P energy: -41.564
bonds (distance) P-C4' energy: -43.604
flat angles C4'-P-C4' energy: -50.449
flat angles P-C4'-P energy: -37.601
tors. eta vs tors. theta energy: -29.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -458.794638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.794638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.794638 (E_RNA)
where:
Base-Base interactions energy: -269.682
where: short stacking energy: -120.153
Base-Backbone interact. energy: 0.828
local terms energy: -189.940918
where:
bonds (distance) C4'-P energy: -47.896
bonds (distance) P-C4' energy: -46.327
flat angles C4'-P-C4' energy: -36.232
flat angles P-C4'-P energy: -31.428
tors. eta vs tors. theta energy: -28.058
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: 145
Temperature: 0.900000
Total energy: -973.973047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.973047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.973047 (E_RNA)
where:
Base-Base interactions energy: -687.670
where: short stacking energy: -285.518
Base-Backbone interact. energy: -1.209
local terms energy: -285.094195
where:
bonds (distance) C4'-P energy: -53.510
bonds (distance) P-C4' energy: -51.193
flat angles C4'-P-C4' energy: -53.443
flat angles P-C4'-P energy: -42.609
tors. eta vs tors. theta energy: -84.340
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: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -942.006330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.006330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.006330 (E_RNA)
where:
Base-Base interactions energy: -656.733
where: short stacking energy: -272.684
Base-Backbone interact. energy: -1.660
local terms energy: -283.613173
where:
bonds (distance) C4'-P energy: -53.811
bonds (distance) P-C4' energy: -52.814
flat angles C4'-P-C4' energy: -58.885
flat angles P-C4'-P energy: -40.730
tors. eta vs tors. theta energy: -77.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -913.528653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.528653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.528653 (E_RNA)
where:
Base-Base interactions energy: -639.685
where: short stacking energy: -257.972
Base-Backbone interact. energy: -1.310
local terms energy: -272.533553
where:
bonds (distance) C4'-P energy: -49.469
bonds (distance) P-C4' energy: -49.271
flat angles C4'-P-C4' energy: -54.528
flat angles P-C4'-P energy: -43.482
tors. eta vs tors. theta energy: -75.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -874.365987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.365987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.365987 (E_RNA)
where:
Base-Base interactions energy: -605.495
where: short stacking energy: -241.344
Base-Backbone interact. energy: -0.366
local terms energy: -268.505271
where:
bonds (distance) C4'-P energy: -55.492
bonds (distance) P-C4' energy: -52.638
flat angles C4'-P-C4' energy: -51.183
flat angles P-C4'-P energy: -37.855
tors. eta vs tors. theta energy: -71.337
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: 2
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -842.854827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.854827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.854827 (E_RNA)
where:
Base-Base interactions energy: -577.331
where: short stacking energy: -248.108
Base-Backbone interact. energy: -1.048
local terms energy: -264.475695
where:
bonds (distance) C4'-P energy: -46.331
bonds (distance) P-C4' energy: -48.631
flat angles C4'-P-C4' energy: -59.407
flat angles P-C4'-P energy: -36.764
tors. eta vs tors. theta energy: -73.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -722.200084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.200084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.200084 (E_RNA)
where:
Base-Base interactions energy: -484.199
where: short stacking energy: -198.473
Base-Backbone interact. energy: -0.534
local terms energy: -237.466416
where:
bonds (distance) C4'-P energy: -49.879
bonds (distance) P-C4' energy: -41.070
flat angles C4'-P-C4' energy: -49.800
flat angles P-C4'-P energy: -43.396
tors. eta vs tors. theta energy: -53.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -684.850935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.850935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.850935 (E_RNA)
where:
Base-Base interactions energy: -468.800
where: short stacking energy: -197.748
Base-Backbone interact. energy: -1.023
local terms energy: -215.028387
where:
bonds (distance) C4'-P energy: -41.484
bonds (distance) P-C4' energy: -49.639
flat angles C4'-P-C4' energy: -44.971
flat angles P-C4'-P energy: -27.859
tors. eta vs tors. theta energy: -51.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -730.848484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.848484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.848484 (E_RNA)
where:
Base-Base interactions energy: -523.788
where: short stacking energy: -217.176
Base-Backbone interact. energy: -0.504
local terms energy: -206.556701
where:
bonds (distance) C4'-P energy: -42.025
bonds (distance) P-C4' energy: -47.723
flat angles C4'-P-C4' energy: -52.439
flat angles P-C4'-P energy: -19.900
tors. eta vs tors. theta energy: -44.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -543.565984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.565984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.565984 (E_RNA)
where:
Base-Base interactions energy: -351.778
where: short stacking energy: -156.854
Base-Backbone interact. energy: -1.735
local terms energy: -190.053270
where:
bonds (distance) C4'-P energy: -53.968
bonds (distance) P-C4' energy: -34.892
flat angles C4'-P-C4' energy: -44.733
flat angles P-C4'-P energy: -22.106
tors. eta vs tors. theta energy: -34.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -432.956958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.956958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.956958 (E_RNA)
where:
Base-Base interactions energy: -265.542
where: short stacking energy: -123.601
Base-Backbone interact. energy: -0.220
local terms energy: -167.195563
where:
bonds (distance) C4'-P energy: -29.891
bonds (distance) P-C4' energy: -47.169
flat angles C4'-P-C4' energy: -45.471
flat angles P-C4'-P energy: -26.472
tors. eta vs tors. theta energy: -18.192
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: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -983.906852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.906852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.906852 (E_RNA)
where:
Base-Base interactions energy: -683.154
where: short stacking energy: -282.646
Base-Backbone interact. energy: -3.673
local terms energy: -297.080733
where:
bonds (distance) C4'-P energy: -44.081
bonds (distance) P-C4' energy: -58.450
flat angles C4'-P-C4' energy: -63.810
flat angles P-C4'-P energy: -49.016
tors. eta vs tors. theta energy: -81.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -957.363642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.363642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.363642 (E_RNA)
where:
Base-Base interactions energy: -662.693
where: short stacking energy: -260.084
Base-Backbone interact. energy: -2.574
local terms energy: -292.097182
where:
bonds (distance) C4'-P energy: -57.124
bonds (distance) P-C4' energy: -51.269
flat angles C4'-P-C4' energy: -63.575
flat angles P-C4'-P energy: -41.525
tors. eta vs tors. theta energy: -78.605
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: 6
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -886.328648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.328648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.328648 (E_RNA)
where:
Base-Base interactions energy: -617.508
where: short stacking energy: -248.660
Base-Backbone interact. energy: -3.919
local terms energy: -264.901284
where:
bonds (distance) C4'-P energy: -39.341
bonds (distance) P-C4' energy: -55.283
flat angles C4'-P-C4' energy: -57.780
flat angles P-C4'-P energy: -43.605
tors. eta vs tors. theta energy: -68.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -876.314399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.314399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.314399 (E_RNA)
where:
Base-Base interactions energy: -618.643
where: short stacking energy: -260.296
Base-Backbone interact. energy: -1.182
local terms energy: -256.489828
where:
bonds (distance) C4'-P energy: -40.636
bonds (distance) P-C4' energy: -52.403
flat angles C4'-P-C4' energy: -62.677
flat angles P-C4'-P energy: -35.880
tors. eta vs tors. theta energy: -64.893
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: 2
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -817.545984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.545984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.545984 (E_RNA)
where:
Base-Base interactions energy: -562.507
where: short stacking energy: -209.292
Base-Backbone interact. energy: -1.179
local terms energy: -253.859865
where:
bonds (distance) C4'-P energy: -47.627
bonds (distance) P-C4' energy: -53.602
flat angles C4'-P-C4' energy: -55.052
flat angles P-C4'-P energy: -40.345
tors. eta vs tors. theta energy: -57.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -759.863656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.863656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.863656 (E_RNA)
where:
Base-Base interactions energy: -524.838
where: short stacking energy: -222.897
Base-Backbone interact. energy: 0.123
local terms energy: -235.148876
where:
bonds (distance) C4'-P energy: -38.718
bonds (distance) P-C4' energy: -57.000
flat angles C4'-P-C4' energy: -41.759
flat angles P-C4'-P energy: -37.809
tors. eta vs tors. theta energy: -59.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -753.980870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.980870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.980870 (E_RNA)
where:
Base-Base interactions energy: -504.893
where: short stacking energy: -218.205
Base-Backbone interact. energy: -0.445
local terms energy: -248.642124
where:
bonds (distance) C4'-P energy: -52.812
bonds (distance) P-C4' energy: -48.336
flat angles C4'-P-C4' energy: -52.651
flat angles P-C4'-P energy: -32.716
tors. eta vs tors. theta energy: -62.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -667.389427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.389427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.389427 (E_RNA)
where:
Base-Base interactions energy: -438.696
where: short stacking energy: -190.545
Base-Backbone interact. energy: 0.273
local terms energy: -228.966611
where:
bonds (distance) C4'-P energy: -50.564
bonds (distance) P-C4' energy: -53.722
flat angles C4'-P-C4' energy: -43.960
flat angles P-C4'-P energy: -37.436
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: 9, replica: 3
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -543.053043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.053043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.053043 (E_RNA)
where:
Base-Base interactions energy: -341.270
where: short stacking energy: -158.337
Base-Backbone interact. energy: 0.491
local terms energy: -202.273782
where:
bonds (distance) C4'-P energy: -47.980
bonds (distance) P-C4' energy: -48.922
flat angles C4'-P-C4' energy: -41.651
flat angles P-C4'-P energy: -28.800
tors. eta vs tors. theta energy: -34.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -437.740260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.740260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.740260 (E_RNA)
where:
Base-Base interactions energy: -273.282
where: short stacking energy: -130.619
Base-Backbone interact. energy: 0.834
local terms energy: -165.292075
where:
bonds (distance) C4'-P energy: -42.308
bonds (distance) P-C4' energy: -40.925
flat angles C4'-P-C4' energy: -40.185
flat angles P-C4'-P energy: -26.756
tors. eta vs tors. theta energy: -15.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -988.587129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.587129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.587129 (E_RNA)
where:
Base-Base interactions energy: -705.302
where: short stacking energy: -289.615
Base-Backbone interact. energy: -0.982
local terms energy: -282.303264
where:
bonds (distance) C4'-P energy: -43.950
bonds (distance) P-C4' energy: -52.406
flat angles C4'-P-C4' energy: -61.772
flat angles P-C4'-P energy: -42.564
tors. eta vs tors. theta energy: -81.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -932.416551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.416551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.416551 (E_RNA)
where:
Base-Base interactions energy: -643.339
where: short stacking energy: -255.456
Base-Backbone interact. energy: -1.417
local terms energy: -287.660778
where:
bonds (distance) C4'-P energy: -50.602
bonds (distance) P-C4' energy: -52.621
flat angles C4'-P-C4' energy: -58.793
flat angles P-C4'-P energy: -43.005
tors. eta vs tors. theta energy: -82.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -902.894778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.894778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.894778 (E_RNA)
where:
Base-Base interactions energy: -631.786
where: short stacking energy: -270.071
Base-Backbone interact. energy: -0.796
local terms energy: -270.312887
where:
bonds (distance) C4'-P energy: -52.735
bonds (distance) P-C4' energy: -38.911
flat angles C4'-P-C4' energy: -58.997
flat angles P-C4'-P energy: -42.891
tors. eta vs tors. theta energy: -76.779
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: 10
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -874.202416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.202416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.202416 (E_RNA)
where:
Base-Base interactions energy: -591.640
where: short stacking energy: -228.305
Base-Backbone interact. energy: -1.919
local terms energy: -280.643201
where:
bonds (distance) C4'-P energy: -57.561
bonds (distance) P-C4' energy: -53.766
flat angles C4'-P-C4' energy: -56.798
flat angles P-C4'-P energy: -44.666
tors. eta vs tors. theta energy: -67.853
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: 2
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -809.461490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.461490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.461490 (E_RNA)
where:
Base-Base interactions energy: -555.325
where: short stacking energy: -227.879
Base-Backbone interact. energy: -1.817
local terms energy: -252.318771
where:
bonds (distance) C4'-P energy: -45.801
bonds (distance) P-C4' energy: -57.422
flat angles C4'-P-C4' energy: -51.407
flat angles P-C4'-P energy: -34.947
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: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -765.558223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.558223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.558223 (E_RNA)
where:
Base-Base interactions energy: -531.626
where: short stacking energy: -207.810
Base-Backbone interact. energy: 0.222
local terms energy: -234.154214
where:
bonds (distance) C4'-P energy: -36.339
bonds (distance) P-C4' energy: -52.324
flat angles C4'-P-C4' energy: -56.600
flat angles P-C4'-P energy: -34.414
tors. eta vs tors. theta energy: -54.477
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: 5
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -749.096557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.096557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.096557 (E_RNA)
where:
Base-Base interactions energy: -509.582
where: short stacking energy: -220.338
Base-Backbone interact. energy: -1.041
local terms energy: -238.472682
where:
bonds (distance) C4'-P energy: -46.173
bonds (distance) P-C4' energy: -48.537
flat angles C4'-P-C4' energy: -53.101
flat angles P-C4'-P energy: -36.396
tors. eta vs tors. theta energy: -54.266
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: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -663.280149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.280149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.280149 (E_RNA)
where:
Base-Base interactions energy: -431.047
where: short stacking energy: -185.659
Base-Backbone interact. energy: -2.590
local terms energy: -229.643266
where:
bonds (distance) C4'-P energy: -54.790
bonds (distance) P-C4' energy: -48.612
flat angles C4'-P-C4' energy: -57.225
flat angles P-C4'-P energy: -25.317
tors. eta vs tors. theta energy: -43.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -544.895286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.895286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.895286 (E_RNA)
where:
Base-Base interactions energy: -356.490
where: short stacking energy: -155.506
Base-Backbone interact. energy: -0.666
local terms energy: -187.738923
where:
bonds (distance) C4'-P energy: -50.272
bonds (distance) P-C4' energy: -39.645
flat angles C4'-P-C4' energy: -37.731
flat angles P-C4'-P energy: -27.061
tors. eta vs tors. theta energy: -33.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -423.147952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.147952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.147952 (E_RNA)
where:
Base-Base interactions energy: -249.266
where: short stacking energy: -134.882
Base-Backbone interact. energy: -0.384
local terms energy: -173.497716
where:
bonds (distance) C4'-P energy: -47.044
bonds (distance) P-C4' energy: -51.381
flat angles C4'-P-C4' energy: -41.933
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -18.972
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: 148
Temperature: 0.900000
Total energy: -988.342167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.342167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.342167 (E_RNA)
where:
Base-Base interactions energy: -693.061
where: short stacking energy: -294.832
Base-Backbone interact. energy: -1.463
local terms energy: -293.818154
where:
bonds (distance) C4'-P energy: -59.922
bonds (distance) P-C4' energy: -42.975
flat angles C4'-P-C4' energy: -62.857
flat angles P-C4'-P energy: -50.626
tors. eta vs tors. theta energy: -77.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -953.042728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.042728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.042728 (E_RNA)
where:
Base-Base interactions energy: -673.883
where: short stacking energy: -259.834
Base-Backbone interact. energy: -1.187
local terms energy: -277.972628
where:
bonds (distance) C4'-P energy: -55.870
bonds (distance) P-C4' energy: -52.785
flat angles C4'-P-C4' energy: -60.898
flat angles P-C4'-P energy: -37.572
tors. eta vs tors. theta energy: -70.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -879.945964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.945964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.945964 (E_RNA)
where:
Base-Base interactions energy: -615.729
where: short stacking energy: -257.006
Base-Backbone interact. energy: -1.666
local terms energy: -262.550979
where:
bonds (distance) C4'-P energy: -44.069
bonds (distance) P-C4' energy: -53.614
flat angles C4'-P-C4' energy: -59.943
flat angles P-C4'-P energy: -35.934
tors. eta vs tors. theta energy: -68.991
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: 10
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -868.201088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.201088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.201088 (E_RNA)
where:
Base-Base interactions energy: -594.972
where: short stacking energy: -237.773
Base-Backbone interact. energy: -2.068
local terms energy: -271.160695
where:
bonds (distance) C4'-P energy: -46.285
bonds (distance) P-C4' energy: -59.303
flat angles C4'-P-C4' energy: -59.387
flat angles P-C4'-P energy: -39.955
tors. eta vs tors. theta energy: -66.231
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: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -805.915745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.915745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.915745 (E_RNA)
where:
Base-Base interactions energy: -549.544
where: short stacking energy: -219.283
Base-Backbone interact. energy: 1.839
local terms energy: -258.211651
where:
bonds (distance) C4'-P energy: -46.374
bonds (distance) P-C4' energy: -55.691
flat angles C4'-P-C4' energy: -58.853
flat angles P-C4'-P energy: -38.358
tors. eta vs tors. theta energy: -58.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -755.430590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.430590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.430590 (E_RNA)
where:
Base-Base interactions energy: -515.874
where: short stacking energy: -205.921
Base-Backbone interact. energy: -1.267
local terms energy: -238.289580
where:
bonds (distance) C4'-P energy: -42.501
bonds (distance) P-C4' energy: -45.126
flat angles C4'-P-C4' energy: -59.271
flat angles P-C4'-P energy: -35.260
tors. eta vs tors. theta energy: -56.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -692.794336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.794336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.794336 (E_RNA)
where:
Base-Base interactions energy: -456.331
where: short stacking energy: -194.944
Base-Backbone interact. energy: -0.510
local terms energy: -235.952995
where:
bonds (distance) C4'-P energy: -42.272
bonds (distance) P-C4' energy: -54.565
flat angles C4'-P-C4' energy: -55.635
flat angles P-C4'-P energy: -38.836
tors. eta vs tors. theta energy: -44.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -693.458230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.458230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.458230 (E_RNA)
where:
Base-Base interactions energy: -480.616
where: short stacking energy: -183.548
Base-Backbone interact. energy: -0.524
local terms energy: -212.318526
where:
bonds (distance) C4'-P energy: -42.102
bonds (distance) P-C4' energy: -50.850
flat angles C4'-P-C4' energy: -46.833
flat angles P-C4'-P energy: -27.353
tors. eta vs tors. theta energy: -45.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -549.821956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.821956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.821956 (E_RNA)
where:
Base-Base interactions energy: -356.447
where: short stacking energy: -180.064
Base-Backbone interact. energy: -0.581
local terms energy: -192.794584
where:
bonds (distance) C4'-P energy: -44.194
bonds (distance) P-C4' energy: -38.952
flat angles C4'-P-C4' energy: -49.540
flat angles P-C4'-P energy: -20.432
tors. eta vs tors. theta energy: -39.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -435.749728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.749728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.749728 (E_RNA)
where:
Base-Base interactions energy: -270.817
where: short stacking energy: -126.224
Base-Backbone interact. energy: -1.301
local terms energy: -163.631828
where:
bonds (distance) C4'-P energy: -32.267
bonds (distance) P-C4' energy: -44.301
flat angles C4'-P-C4' energy: -37.496
flat angles P-C4'-P energy: -27.774
tors. eta vs tors. theta energy: -21.795
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: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -978.878280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.878280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.878280 (E_RNA)
where:
Base-Base interactions energy: -681.714
where: short stacking energy: -282.106
Base-Backbone interact. energy: -1.721
local terms energy: -295.443357
where:
bonds (distance) C4'-P energy: -54.516
bonds (distance) P-C4' energy: -50.600
flat angles C4'-P-C4' energy: -65.097
flat angles P-C4'-P energy: -44.470
tors. eta vs tors. theta energy: -80.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -964.178530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.178530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.178530 (E_RNA)
where:
Base-Base interactions energy: -685.720
where: short stacking energy: -266.874
Base-Backbone interact. energy: 0.745
local terms energy: -279.203969
where:
bonds (distance) C4'-P energy: -50.483
bonds (distance) P-C4' energy: -53.291
flat angles C4'-P-C4' energy: -51.841
flat angles P-C4'-P energy: -45.227
tors. eta vs tors. theta energy: -78.363
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: 6
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -891.993385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.993385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.993385 (E_RNA)
where:
Base-Base interactions energy: -619.998
where: short stacking energy: -255.616
Base-Backbone interact. energy: -2.572
local terms energy: -269.422918
where:
bonds (distance) C4'-P energy: -41.928
bonds (distance) P-C4' energy: -50.096
flat angles C4'-P-C4' energy: -60.686
flat angles P-C4'-P energy: -37.629
tors. eta vs tors. theta energy: -79.083
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: 10
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -863.887414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.887414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.887414 (E_RNA)
where:
Base-Base interactions energy: -602.719
where: short stacking energy: -241.562
Base-Backbone interact. energy: -0.222
local terms energy: -260.946687
where:
bonds (distance) C4'-P energy: -45.375
bonds (distance) P-C4' energy: -57.278
flat angles C4'-P-C4' energy: -51.704
flat angles P-C4'-P energy: -39.861
tors. eta vs tors. theta energy: -66.728
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: 2
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -789.584321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.584321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.584321 (E_RNA)
where:
Base-Base interactions energy: -547.645
where: short stacking energy: -227.831
Base-Backbone interact. energy: -0.654
local terms energy: -241.285127
where:
bonds (distance) C4'-P energy: -49.928
bonds (distance) P-C4' energy: -48.929
flat angles C4'-P-C4' energy: -51.456
flat angles P-C4'-P energy: -37.221
tors. eta vs tors. theta energy: -53.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -775.489065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.489065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.489065 (E_RNA)
where:
Base-Base interactions energy: -530.987
where: short stacking energy: -221.048
Base-Backbone interact. energy: -1.055
local terms energy: -243.446309
where:
bonds (distance) C4'-P energy: -49.027
bonds (distance) P-C4' energy: -50.201
flat angles C4'-P-C4' energy: -50.948
flat angles P-C4'-P energy: -38.890
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: 7, replica: 9
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -695.566671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.566671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.566671 (E_RNA)
where:
Base-Base interactions energy: -462.405
where: short stacking energy: -197.802
Base-Backbone interact. energy: 2.327
local terms energy: -235.488485
where:
bonds (distance) C4'-P energy: -42.850
bonds (distance) P-C4' energy: -58.556
flat angles C4'-P-C4' energy: -60.892
flat angles P-C4'-P energy: -30.455
tors. eta vs tors. theta energy: -42.736
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: 5
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -718.027371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.027371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.027371 (E_RNA)
where:
Base-Base interactions energy: -508.548
where: short stacking energy: -205.423
Base-Backbone interact. energy: -2.225
local terms energy: -207.254867
where:
bonds (distance) C4'-P energy: -42.329
bonds (distance) P-C4' energy: -42.548
flat angles C4'-P-C4' energy: -50.212
flat angles P-C4'-P energy: -31.456
tors. eta vs tors. theta energy: -40.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -529.544465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.544465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.544465 (E_RNA)
where:
Base-Base interactions energy: -333.916
where: short stacking energy: -147.440
Base-Backbone interact. energy: 0.024
local terms energy: -195.653054
where:
bonds (distance) C4'-P energy: -37.023
bonds (distance) P-C4' energy: -51.778
flat angles C4'-P-C4' energy: -42.649
flat angles P-C4'-P energy: -26.597
tors. eta vs tors. theta energy: -37.607
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: 8
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -484.288410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.288410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.288410 (E_RNA)
where:
Base-Base interactions energy: -292.321
where: short stacking energy: -131.057
Base-Backbone interact. energy: -1.528
local terms energy: -190.440063
where:
bonds (distance) C4'-P energy: -48.201
bonds (distance) P-C4' energy: -44.893
flat angles C4'-P-C4' energy: -36.097
flat angles P-C4'-P energy: -38.762
tors. eta vs tors. theta energy: -22.487
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: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -984.180707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.180707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.180707 (E_RNA)
where:
Base-Base interactions energy: -678.179
where: short stacking energy: -289.873
Base-Backbone interact. energy: -1.954
local terms energy: -304.047157
where:
bonds (distance) C4'-P energy: -55.695
bonds (distance) P-C4' energy: -57.641
flat angles C4'-P-C4' energy: -69.269
flat angles P-C4'-P energy: -39.671
tors. eta vs tors. theta energy: -81.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -950.651766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.651766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.651766 (E_RNA)
where:
Base-Base interactions energy: -668.755
where: short stacking energy: -258.364
Base-Backbone interact. energy: -0.301
local terms energy: -281.595524
where:
bonds (distance) C4'-P energy: -53.819
bonds (distance) P-C4' energy: -50.654
flat angles C4'-P-C4' energy: -59.121
flat angles P-C4'-P energy: -43.273
tors. eta vs tors. theta energy: -74.729
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: 6
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -881.448918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.448918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.448918 (E_RNA)
where:
Base-Base interactions energy: -601.910
where: short stacking energy: -245.392
Base-Backbone interact. energy: -1.066
local terms energy: -278.472945
where:
bonds (distance) C4'-P energy: -56.687
bonds (distance) P-C4' energy: -48.263
flat angles C4'-P-C4' energy: -55.413
flat angles P-C4'-P energy: -46.751
tors. eta vs tors. theta energy: -71.359
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: 4, replica: 10
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -903.302590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.302590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.302590 (E_RNA)
where:
Base-Base interactions energy: -636.296
where: short stacking energy: -249.183
Base-Backbone interact. energy: -1.798
local terms energy: -265.208573
where:
bonds (distance) C4'-P energy: -49.885
bonds (distance) P-C4' energy: -50.603
flat angles C4'-P-C4' energy: -57.736
flat angles P-C4'-P energy: -34.304
tors. eta vs tors. theta energy: -72.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -781.645230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.645230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.645230 (E_RNA)
where:
Base-Base interactions energy: -533.714
where: short stacking energy: -227.225
Base-Backbone interact. energy: -1.171
local terms energy: -246.759908
where:
bonds (distance) C4'-P energy: -54.784
bonds (distance) P-C4' energy: -38.670
flat angles C4'-P-C4' energy: -57.647
flat angles P-C4'-P energy: -32.511
tors. eta vs tors. theta energy: -63.147
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: 7
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -733.847584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.847584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.847584 (E_RNA)
where:
Base-Base interactions energy: -508.040
where: short stacking energy: -211.029
Base-Backbone interact. energy: -1.017
local terms energy: -224.790024
where:
bonds (distance) C4'-P energy: -42.218
bonds (distance) P-C4' energy: -45.803
flat angles C4'-P-C4' energy: -53.871
flat angles P-C4'-P energy: -33.313
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: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -655.992902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.992902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.992902 (E_RNA)
where:
Base-Base interactions energy: -421.845
where: short stacking energy: -184.436
Base-Backbone interact. energy: -2.242
local terms energy: -231.906620
where:
bonds (distance) C4'-P energy: -47.085
bonds (distance) P-C4' energy: -51.490
flat angles C4'-P-C4' energy: -48.631
flat angles P-C4'-P energy: -41.053
tors. eta vs tors. theta energy: -43.648
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: 5
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -708.108480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.108480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.108480 (E_RNA)
where:
Base-Base interactions energy: -491.948
where: short stacking energy: -187.997
Base-Backbone interact. energy: 0.161
local terms energy: -216.321603
where:
bonds (distance) C4'-P energy: -46.559
bonds (distance) P-C4' energy: -52.120
flat angles C4'-P-C4' energy: -44.860
flat angles P-C4'-P energy: -33.600
tors. eta vs tors. theta energy: -39.183
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: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -487.054921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.054921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.054921 (E_RNA)
where:
Base-Base interactions energy: -297.407
where: short stacking energy: -129.166
Base-Backbone interact. energy: 0.314
local terms energy: -189.961233
where:
bonds (distance) C4'-P energy: -49.744
bonds (distance) P-C4' energy: -44.255
flat angles C4'-P-C4' energy: -41.021
flat angles P-C4'-P energy: -33.311
tors. eta vs tors. theta energy: -21.630
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: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -472.899206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.899206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.899206 (E_RNA)
where:
Base-Base interactions energy: -301.575
where: short stacking energy: -136.804
Base-Backbone interact. energy: 0.577
local terms energy: -171.901887
where:
bonds (distance) C4'-P energy: -43.666
bonds (distance) P-C4' energy: -33.342
flat angles C4'-P-C4' energy: -48.695
flat angles P-C4'-P energy: -23.034
tors. eta vs tors. theta energy: -23.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -975.142721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.142721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.142721 (E_RNA)
where:
Base-Base interactions energy: -677.405
where: short stacking energy: -273.247
Base-Backbone interact. energy: -0.755
local terms energy: -296.982856
where:
bonds (distance) C4'-P energy: -60.655
bonds (distance) P-C4' energy: -54.591
flat angles C4'-P-C4' energy: -59.877
flat angles P-C4'-P energy: -35.264
tors. eta vs tors. theta energy: -86.595
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: 4
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -954.336871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.336871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.336871 (E_RNA)
where:
Base-Base interactions energy: -667.637
where: short stacking energy: -273.598
Base-Backbone interact. energy: -3.260
local terms energy: -283.439297
where:
bonds (distance) C4'-P energy: -42.941
bonds (distance) P-C4' energy: -57.451
flat angles C4'-P-C4' energy: -61.320
flat angles P-C4'-P energy: -45.636
tors. eta vs tors. theta energy: -76.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -893.532775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.532775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.532775 (E_RNA)
where:
Base-Base interactions energy: -620.180
where: short stacking energy: -258.277
Base-Backbone interact. energy: -1.200
local terms energy: -272.151984
where:
bonds (distance) C4'-P energy: -47.845
bonds (distance) P-C4' energy: -57.517
flat angles C4'-P-C4' energy: -58.282
flat angles P-C4'-P energy: -32.220
tors. eta vs tors. theta energy: -76.288
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: 10
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -883.404161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.404161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.404161 (E_RNA)
where:
Base-Base interactions energy: -619.357
where: short stacking energy: -244.701
Base-Backbone interact. energy: -0.900
local terms energy: -263.147071
where:
bonds (distance) C4'-P energy: -43.415
bonds (distance) P-C4' energy: -57.381
flat angles C4'-P-C4' energy: -59.122
flat angles P-C4'-P energy: -37.495
tors. eta vs tors. theta energy: -65.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -813.369357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.369357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.369357 (E_RNA)
where:
Base-Base interactions energy: -562.652
where: short stacking energy: -222.562
Base-Backbone interact. energy: -0.345
local terms energy: -250.371570
where:
bonds (distance) C4'-P energy: -50.947
bonds (distance) P-C4' energy: -49.657
flat angles C4'-P-C4' energy: -50.448
flat angles P-C4'-P energy: -40.266
tors. eta vs tors. theta energy: -59.055
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: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -743.879214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.879214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.879214 (E_RNA)
where:
Base-Base interactions energy: -492.596
where: short stacking energy: -213.291
Base-Backbone interact. energy: -0.564
local terms energy: -250.718804
where:
bonds (distance) C4'-P energy: -48.412
bonds (distance) P-C4' energy: -51.922
flat angles C4'-P-C4' energy: -58.412
flat angles P-C4'-P energy: -34.479
tors. eta vs tors. theta energy: -57.494
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: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -683.975907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.975907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.975907 (E_RNA)
where:
Base-Base interactions energy: -461.999
where: short stacking energy: -198.778
Base-Backbone interact. energy: -0.769
local terms energy: -221.207941
where:
bonds (distance) C4'-P energy: -45.722
bonds (distance) P-C4' energy: -52.748
flat angles C4'-P-C4' energy: -47.476
flat angles P-C4'-P energy: -35.760
tors. eta vs tors. theta energy: -39.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -711.205616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.205616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.205616 (E_RNA)
where:
Base-Base interactions energy: -482.721
where: short stacking energy: -192.187
Base-Backbone interact. energy: 0.721
local terms energy: -229.205499
where:
bonds (distance) C4'-P energy: -52.080
bonds (distance) P-C4' energy: -44.532
flat angles C4'-P-C4' energy: -50.397
flat angles P-C4'-P energy: -33.926
tors. eta vs tors. theta energy: -48.271
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: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -496.986236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.986236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.986236 (E_RNA)
where:
Base-Base interactions energy: -296.682
where: short stacking energy: -151.666
Base-Backbone interact. energy: -2.512
local terms energy: -197.792980
where:
bonds (distance) C4'-P energy: -47.956
bonds (distance) P-C4' energy: -42.627
flat angles C4'-P-C4' energy: -45.278
flat angles P-C4'-P energy: -26.978
tors. eta vs tors. theta energy: -34.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -513.683512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.683512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.683512 (E_RNA)
where:
Base-Base interactions energy: -342.532
where: short stacking energy: -138.603
Base-Backbone interact. energy: -1.211
local terms energy: -169.940664
where:
bonds (distance) C4'-P energy: -38.160
bonds (distance) P-C4' energy: -37.809
flat angles C4'-P-C4' energy: -45.991
flat angles P-C4'-P energy: -22.218
tors. eta vs tors. theta energy: -25.763
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: 152
Temperature: 0.900000
Total energy: -992.334053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.334053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.334053 (E_RNA)
where:
Base-Base interactions energy: -707.690
where: short stacking energy: -296.656
Base-Backbone interact. energy: -0.735
local terms energy: -283.908749
where:
bonds (distance) C4'-P energy: -54.743
bonds (distance) P-C4' energy: -44.593
flat angles C4'-P-C4' energy: -58.822
flat angles P-C4'-P energy: -44.565
tors. eta vs tors. theta energy: -81.187
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: 2, replica: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -957.225632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.225632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.225632 (E_RNA)
where:
Base-Base interactions energy: -679.403
where: short stacking energy: -262.887
Base-Backbone interact. energy: -2.062
local terms energy: -275.760619
where:
bonds (distance) C4'-P energy: -49.447
bonds (distance) P-C4' energy: -53.050
flat angles C4'-P-C4' energy: -57.392
flat angles P-C4'-P energy: -39.662
tors. eta vs tors. theta energy: -76.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -910.730309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.730309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.730309 (E_RNA)
where:
Base-Base interactions energy: -640.275
where: short stacking energy: -260.170
Base-Backbone interact. energy: 0.013
local terms energy: -270.468516
where:
bonds (distance) C4'-P energy: -48.051
bonds (distance) P-C4' energy: -44.054
flat angles C4'-P-C4' energy: -57.019
flat angles P-C4'-P energy: -46.223
tors. eta vs tors. theta energy: -75.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -881.005904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.005904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.005904 (E_RNA)
where:
Base-Base interactions energy: -609.831
where: short stacking energy: -250.798
Base-Backbone interact. energy: -1.127
local terms energy: -270.048016
where:
bonds (distance) C4'-P energy: -45.912
bonds (distance) P-C4' energy: -52.813
flat angles C4'-P-C4' energy: -57.776
flat angles P-C4'-P energy: -35.704
tors. eta vs tors. theta energy: -77.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -824.271397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.271397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.271397 (E_RNA)
where:
Base-Base interactions energy: -576.077
where: short stacking energy: -231.372
Base-Backbone interact. energy: -2.607
local terms energy: -245.587298
where:
bonds (distance) C4'-P energy: -51.735
bonds (distance) P-C4' energy: -46.356
flat angles C4'-P-C4' energy: -56.336
flat angles P-C4'-P energy: -31.108
tors. eta vs tors. theta energy: -60.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -754.601026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.601026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.601026 (E_RNA)
where:
Base-Base interactions energy: -534.683
where: short stacking energy: -213.375
Base-Backbone interact. energy: -0.678
local terms energy: -219.240634
where:
bonds (distance) C4'-P energy: -46.003
bonds (distance) P-C4' energy: -46.005
flat angles C4'-P-C4' energy: -52.639
flat angles P-C4'-P energy: -29.243
tors. eta vs tors. theta energy: -45.351
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: 5
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -699.018533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.018533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.018533 (E_RNA)
where:
Base-Base interactions energy: -486.597
where: short stacking energy: -202.134
Base-Backbone interact. energy: -1.440
local terms energy: -210.981290
where:
bonds (distance) C4'-P energy: -50.929
bonds (distance) P-C4' energy: -49.050
flat angles C4'-P-C4' energy: -38.118
flat angles P-C4'-P energy: -22.292
tors. eta vs tors. theta energy: -50.592
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: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -647.374604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.374604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.374604 (E_RNA)
where:
Base-Base interactions energy: -450.871
where: short stacking energy: -180.286
Base-Backbone interact. energy: 0.256
local terms energy: -196.759194
where:
bonds (distance) C4'-P energy: -37.284
bonds (distance) P-C4' energy: -46.355
flat angles C4'-P-C4' energy: -42.924
flat angles P-C4'-P energy: -33.059
tors. eta vs tors. theta energy: -37.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -524.172657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.172657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.172657 (E_RNA)
where:
Base-Base interactions energy: -316.219
where: short stacking energy: -139.448
Base-Backbone interact. energy: -0.909
local terms energy: -207.044196
where:
bonds (distance) C4'-P energy: -45.161
bonds (distance) P-C4' energy: -51.397
flat angles C4'-P-C4' energy: -48.092
flat angles P-C4'-P energy: -36.367
tors. eta vs tors. theta energy: -26.027
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: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -453.131895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.131895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.131895 (E_RNA)
where:
Base-Base interactions energy: -275.850
where: short stacking energy: -120.269
Base-Backbone interact. energy: -2.997
local terms energy: -174.284440
where:
bonds (distance) C4'-P energy: -36.104
bonds (distance) P-C4' energy: -51.071
flat angles C4'-P-C4' energy: -38.663
flat angles P-C4'-P energy: -26.367
tors. eta vs tors. theta energy: -22.080
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: 153
Temperature: 0.900000
Total energy: -967.057546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.057546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.057546 (E_RNA)
where:
Base-Base interactions energy: -685.104
where: short stacking energy: -285.862
Base-Backbone interact. energy: -2.761
local terms energy: -279.192640
where:
bonds (distance) C4'-P energy: -48.256
bonds (distance) P-C4' energy: -46.442
flat angles C4'-P-C4' energy: -56.177
flat angles P-C4'-P energy: -45.794
tors. eta vs tors. theta energy: -82.524
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: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -956.632390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.632390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.632390 (E_RNA)
where:
Base-Base interactions energy: -661.686
where: short stacking energy: -262.101
Base-Backbone interact. energy: -2.429
local terms energy: -292.517874
where:
bonds (distance) C4'-P energy: -56.677
bonds (distance) P-C4' energy: -46.694
flat angles C4'-P-C4' energy: -64.360
flat angles P-C4'-P energy: -41.497
tors. eta vs tors. theta energy: -83.290
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: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -940.382721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.382721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.382721 (E_RNA)
where:
Base-Base interactions energy: -654.883
where: short stacking energy: -279.961
Base-Backbone interact. energy: 0.675
local terms energy: -286.175439
where:
bonds (distance) C4'-P energy: -53.945
bonds (distance) P-C4' energy: -53.076
flat angles C4'-P-C4' energy: -58.688
flat angles P-C4'-P energy: -44.470
tors. eta vs tors. theta energy: -75.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -881.848795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.848795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.848795 (E_RNA)
where:
Base-Base interactions energy: -597.449
where: short stacking energy: -261.617
Base-Backbone interact. energy: -1.496
local terms energy: -282.903287
where:
bonds (distance) C4'-P energy: -55.093
bonds (distance) P-C4' energy: -52.489
flat angles C4'-P-C4' energy: -56.201
flat angles P-C4'-P energy: -40.929
tors. eta vs tors. theta energy: -78.191
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: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -796.305366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.305366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.305366 (E_RNA)
where:
Base-Base interactions energy: -553.689
where: short stacking energy: -237.995
Base-Backbone interact. energy: -1.702
local terms energy: -240.915163
where:
bonds (distance) C4'-P energy: -42.101
bonds (distance) P-C4' energy: -50.401
flat angles C4'-P-C4' energy: -53.819
flat angles P-C4'-P energy: -41.396
tors. eta vs tors. theta energy: -53.199
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: 7
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -750.029654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.029654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.029654 (E_RNA)
where:
Base-Base interactions energy: -515.180
where: short stacking energy: -213.492
Base-Backbone interact. energy: -2.489
local terms energy: -232.361155
where:
bonds (distance) C4'-P energy: -43.414
bonds (distance) P-C4' energy: -49.157
flat angles C4'-P-C4' energy: -61.649
flat angles P-C4'-P energy: -29.238
tors. eta vs tors. theta energy: -48.903
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: 5
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -701.047307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.047307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.047307 (E_RNA)
where:
Base-Base interactions energy: -473.427
where: short stacking energy: -206.831
Base-Backbone interact. energy: -1.597
local terms energy: -226.023912
where:
bonds (distance) C4'-P energy: -38.298
bonds (distance) P-C4' energy: -50.023
flat angles C4'-P-C4' energy: -44.718
flat angles P-C4'-P energy: -37.433
tors. eta vs tors. theta energy: -55.552
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: 9
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -626.998032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.998032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.998032 (E_RNA)
where:
Base-Base interactions energy: -419.457
where: short stacking energy: -168.783
Base-Backbone interact. energy: 1.745
local terms energy: -209.286070
where:
bonds (distance) C4'-P energy: -39.724
bonds (distance) P-C4' energy: -41.539
flat angles C4'-P-C4' energy: -50.659
flat angles P-C4'-P energy: -38.608
tors. eta vs tors. theta energy: -38.757
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: 3
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -522.820479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.820479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.820479 (E_RNA)
where:
Base-Base interactions energy: -319.636
where: short stacking energy: -148.504
Base-Backbone interact. energy: -0.901
local terms energy: -202.283456
where:
bonds (distance) C4'-P energy: -46.707
bonds (distance) P-C4' energy: -51.274
flat angles C4'-P-C4' energy: -45.582
flat angles P-C4'-P energy: -29.732
tors. eta vs tors. theta energy: -28.988
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: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -461.603709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.603709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.603709 (E_RNA)
where:
Base-Base interactions energy: -273.344
where: short stacking energy: -124.735
Base-Backbone interact. energy: -0.060
local terms energy: -188.199851
where:
bonds (distance) C4'-P energy: -41.519
bonds (distance) P-C4' energy: -49.769
flat angles C4'-P-C4' energy: -35.047
flat angles P-C4'-P energy: -33.767
tors. eta vs tors. theta energy: -28.099
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: 154
Temperature: 0.900000
Total energy: -976.431068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.431068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.431068 (E_RNA)
where:
Base-Base interactions energy: -686.605
where: short stacking energy: -276.349
Base-Backbone interact. energy: -3.433
local terms energy: -286.393547
where:
bonds (distance) C4'-P energy: -58.268
bonds (distance) P-C4' energy: -47.215
flat angles C4'-P-C4' energy: -61.146
flat angles P-C4'-P energy: -43.393
tors. eta vs tors. theta energy: -76.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -951.854380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.854380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.854380 (E_RNA)
where:
Base-Base interactions energy: -674.529
where: short stacking energy: -266.228
Base-Backbone interact. energy: -4.044
local terms energy: -273.281192
where:
bonds (distance) C4'-P energy: -48.449
bonds (distance) P-C4' energy: -46.110
flat angles C4'-P-C4' energy: -57.253
flat angles P-C4'-P energy: -42.622
tors. eta vs tors. theta energy: -78.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -903.171235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.171235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.171235 (E_RNA)
where:
Base-Base interactions energy: -631.140
where: short stacking energy: -265.183
Base-Backbone interact. energy: -3.001
local terms energy: -269.029365
where:
bonds (distance) C4'-P energy: -52.216
bonds (distance) P-C4' energy: -47.790
flat angles C4'-P-C4' energy: -57.459
flat angles P-C4'-P energy: -39.932
tors. eta vs tors. theta energy: -71.632
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: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -888.181230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.181230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.181230 (E_RNA)
where:
Base-Base interactions energy: -606.515
where: short stacking energy: -253.521
Base-Backbone interact. energy: -0.686
local terms energy: -280.980242
where:
bonds (distance) C4'-P energy: -54.571
bonds (distance) P-C4' energy: -49.302
flat angles C4'-P-C4' energy: -53.605
flat angles P-C4'-P energy: -41.160
tors. eta vs tors. theta energy: -82.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -815.521214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.521214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.521214 (E_RNA)
where:
Base-Base interactions energy: -560.035
where: short stacking energy: -226.040
Base-Backbone interact. energy: -0.961
local terms energy: -254.524736
where:
bonds (distance) C4'-P energy: -46.164
bonds (distance) P-C4' energy: -48.828
flat angles C4'-P-C4' energy: -56.861
flat angles P-C4'-P energy: -38.460
tors. eta vs tors. theta energy: -64.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -737.704961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.704961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.704961 (E_RNA)
where:
Base-Base interactions energy: -514.852
where: short stacking energy: -206.565
Base-Backbone interact. energy: 1.274
local terms energy: -224.126777
where:
bonds (distance) C4'-P energy: -44.626
bonds (distance) P-C4' energy: -57.895
flat angles C4'-P-C4' energy: -42.732
flat angles P-C4'-P energy: -34.934
tors. eta vs tors. theta energy: -43.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -749.025567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.025567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.025567 (E_RNA)
where:
Base-Base interactions energy: -511.941
where: short stacking energy: -218.593
Base-Backbone interact. energy: -0.513
local terms energy: -236.572163
where:
bonds (distance) C4'-P energy: -55.709
bonds (distance) P-C4' energy: -50.237
flat angles C4'-P-C4' energy: -51.125
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: -61.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -634.936218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.936218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.936218 (E_RNA)
where:
Base-Base interactions energy: -432.517
where: short stacking energy: -180.712
Base-Backbone interact. energy: -1.801
local terms energy: -200.618163
where:
bonds (distance) C4'-P energy: -39.499
bonds (distance) P-C4' energy: -38.051
flat angles C4'-P-C4' energy: -57.427
flat angles P-C4'-P energy: -33.996
tors. eta vs tors. theta energy: -31.646
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: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -553.873507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.873507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.873507 (E_RNA)
where:
Base-Base interactions energy: -358.168
where: short stacking energy: -169.969
Base-Backbone interact. energy: -0.933
local terms energy: -194.772223
where:
bonds (distance) C4'-P energy: -34.170
bonds (distance) P-C4' energy: -33.924
flat angles C4'-P-C4' energy: -50.235
flat angles P-C4'-P energy: -37.088
tors. eta vs tors. theta energy: -39.356
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: 3
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -475.677743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.677743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.677743 (E_RNA)
where:
Base-Base interactions energy: -289.733
where: short stacking energy: -136.114
Base-Backbone interact. energy: 1.393
local terms energy: -187.337411
where:
bonds (distance) C4'-P energy: -43.175
bonds (distance) P-C4' energy: -35.992
flat angles C4'-P-C4' energy: -41.177
flat angles P-C4'-P energy: -36.403
tors. eta vs tors. theta energy: -30.591
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: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -981.679741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.679741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.679741 (E_RNA)
where:
Base-Base interactions energy: -687.363
where: short stacking energy: -284.107
Base-Backbone interact. energy: -0.322
local terms energy: -293.994451
where:
bonds (distance) C4'-P energy: -48.535
bonds (distance) P-C4' energy: -59.544
flat angles C4'-P-C4' energy: -61.679
flat angles P-C4'-P energy: -44.954
tors. eta vs tors. theta energy: -79.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -923.213566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.213566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.213566 (E_RNA)
where:
Base-Base interactions energy: -635.466
where: short stacking energy: -245.660
Base-Backbone interact. energy: -0.395
local terms energy: -287.352451
where:
bonds (distance) C4'-P energy: -56.122
bonds (distance) P-C4' energy: -55.998
flat angles C4'-P-C4' energy: -60.052
flat angles P-C4'-P energy: -43.704
tors. eta vs tors. theta energy: -71.478
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: 155
Temperature: 1.000000
Total energy: -954.308960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.308960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.308960 (E_RNA)
where:
Base-Base interactions energy: -672.655
where: short stacking energy: -264.933
Base-Backbone interact. energy: -4.589
local terms energy: -277.064900
where:
bonds (distance) C4'-P energy: -55.634
bonds (distance) P-C4' energy: -53.195
flat angles C4'-P-C4' energy: -51.958
flat angles P-C4'-P energy: -36.901
tors. eta vs tors. theta energy: -79.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -868.254524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.254524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.254524 (E_RNA)
where:
Base-Base interactions energy: -614.082
where: short stacking energy: -245.424
Base-Backbone interact. energy: -1.214
local terms energy: -252.958379
where:
bonds (distance) C4'-P energy: -44.421
bonds (distance) P-C4' energy: -50.395
flat angles C4'-P-C4' energy: -54.041
flat angles P-C4'-P energy: -29.310
tors. eta vs tors. theta energy: -74.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -791.881831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.881831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.881831 (E_RNA)
where:
Base-Base interactions energy: -560.410
where: short stacking energy: -223.822
Base-Backbone interact. energy: -1.740
local terms energy: -229.731887
where:
bonds (distance) C4'-P energy: -35.336
bonds (distance) P-C4' energy: -44.532
flat angles C4'-P-C4' energy: -53.852
flat angles P-C4'-P energy: -36.234
tors. eta vs tors. theta energy: -59.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -757.322529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.322529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.322529 (E_RNA)
where:
Base-Base interactions energy: -523.900
where: short stacking energy: -224.645
Base-Backbone interact. energy: 0.226
local terms energy: -233.647634
where:
bonds (distance) C4'-P energy: -37.429
bonds (distance) P-C4' energy: -47.276
flat angles C4'-P-C4' energy: -50.760
flat angles P-C4'-P energy: -42.561
tors. eta vs tors. theta energy: -55.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -752.544274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.544274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.544274 (E_RNA)
where:
Base-Base interactions energy: -534.743
where: short stacking energy: -218.012
Base-Backbone interact. energy: -1.722
local terms energy: -216.079423
where:
bonds (distance) C4'-P energy: -28.121
bonds (distance) P-C4' energy: -52.440
flat angles C4'-P-C4' energy: -48.724
flat angles P-C4'-P energy: -37.792
tors. eta vs tors. theta energy: -49.003
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: 9
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -622.797508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.797508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.797508 (E_RNA)
where:
Base-Base interactions energy: -427.551
where: short stacking energy: -187.397
Base-Backbone interact. energy: 3.513
local terms energy: -198.759640
where:
bonds (distance) C4'-P energy: -41.759
bonds (distance) P-C4' energy: -45.668
flat angles C4'-P-C4' energy: -45.759
flat angles P-C4'-P energy: -27.433
tors. eta vs tors. theta energy: -38.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -535.645386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.645386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.645386 (E_RNA)
where:
Base-Base interactions energy: -360.401
where: short stacking energy: -143.352
Base-Backbone interact. energy: -1.267
local terms energy: -173.977830
where:
bonds (distance) C4'-P energy: -33.630
bonds (distance) P-C4' energy: -51.771
flat angles C4'-P-C4' energy: -43.706
flat angles P-C4'-P energy: -26.545
tors. eta vs tors. theta energy: -18.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -489.736584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.736584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.736584 (E_RNA)
where:
Base-Base interactions energy: -304.763
where: short stacking energy: -141.086
Base-Backbone interact. energy: 1.728
local terms energy: -186.701207
where:
bonds (distance) C4'-P energy: -44.606
bonds (distance) P-C4' energy: -44.664
flat angles C4'-P-C4' energy: -47.061
flat angles P-C4'-P energy: -25.906
tors. eta vs tors. theta energy: -24.464
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: 156
Temperature: 0.900000
Total energy: -973.664672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.664672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.664672 (E_RNA)
where:
Base-Base interactions energy: -690.985
where: short stacking energy: -277.577
Base-Backbone interact. energy: -1.812
local terms energy: -280.867821
where:
bonds (distance) C4'-P energy: -49.852
bonds (distance) P-C4' energy: -58.822
flat angles C4'-P-C4' energy: -53.399
flat angles P-C4'-P energy: -35.257
tors. eta vs tors. theta energy: -83.537
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: 10
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -934.487121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.487121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.487121 (E_RNA)
where:
Base-Base interactions energy: -661.008
where: short stacking energy: -267.980
Base-Backbone interact. energy: -0.889
local terms energy: -272.589353
where:
bonds (distance) C4'-P energy: -52.634
bonds (distance) P-C4' energy: -48.220
flat angles C4'-P-C4' energy: -54.650
flat angles P-C4'-P energy: -37.540
tors. eta vs tors. theta energy: -79.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -927.668693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.668693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.668693 (E_RNA)
where:
Base-Base interactions energy: -665.330
where: short stacking energy: -262.275
Base-Backbone interact. energy: -0.414
local terms energy: -261.924713
where:
bonds (distance) C4'-P energy: -48.020
bonds (distance) P-C4' energy: -44.732
flat angles C4'-P-C4' energy: -51.787
flat angles P-C4'-P energy: -46.109
tors. eta vs tors. theta energy: -71.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -864.785346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.785346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.785346 (E_RNA)
where:
Base-Base interactions energy: -587.057
where: short stacking energy: -231.190
Base-Backbone interact. energy: -0.988
local terms energy: -276.740971
where:
bonds (distance) C4'-P energy: -58.664
bonds (distance) P-C4' energy: -52.806
flat angles C4'-P-C4' energy: -53.812
flat angles P-C4'-P energy: -41.598
tors. eta vs tors. theta energy: -69.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -780.056017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.056017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.056017 (E_RNA)
where:
Base-Base interactions energy: -521.311
where: short stacking energy: -209.700
Base-Backbone interact. energy: -1.204
local terms energy: -257.541981
where:
bonds (distance) C4'-P energy: -51.559
bonds (distance) P-C4' energy: -54.182
flat angles C4'-P-C4' energy: -48.881
flat angles P-C4'-P energy: -41.733
tors. eta vs tors. theta energy: -61.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -763.386476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.386476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.386476 (E_RNA)
where:
Base-Base interactions energy: -541.286
where: short stacking energy: -218.288
Base-Backbone interact. energy: -1.769
local terms energy: -220.331330
where:
bonds (distance) C4'-P energy: -49.173
bonds (distance) P-C4' energy: -39.732
flat angles C4'-P-C4' energy: -46.410
flat angles P-C4'-P energy: -36.985
tors. eta vs tors. theta energy: -48.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -711.869170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.869170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.869170 (E_RNA)
where:
Base-Base interactions energy: -484.987
where: short stacking energy: -184.632
Base-Backbone interact. energy: 2.287
local terms energy: -229.168839
where:
bonds (distance) C4'-P energy: -46.313
bonds (distance) P-C4' energy: -49.638
flat angles C4'-P-C4' energy: -49.370
flat angles P-C4'-P energy: -30.690
tors. eta vs tors. theta energy: -53.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -606.635041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.635041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.635041 (E_RNA)
where:
Base-Base interactions energy: -408.529
where: short stacking energy: -167.464
Base-Backbone interact. energy: -2.156
local terms energy: -195.949426
where:
bonds (distance) C4'-P energy: -45.241
bonds (distance) P-C4' energy: -45.960
flat angles C4'-P-C4' energy: -46.235
flat angles P-C4'-P energy: -27.924
tors. eta vs tors. theta energy: -30.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -538.928658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.928658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.928658 (E_RNA)
where:
Base-Base interactions energy: -352.638
where: short stacking energy: -168.103
Base-Backbone interact. energy: -2.038
local terms energy: -184.252040
where:
bonds (distance) C4'-P energy: -30.289
bonds (distance) P-C4' energy: -50.375
flat angles C4'-P-C4' energy: -44.128
flat angles P-C4'-P energy: -27.350
tors. eta vs tors. theta energy: -32.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -491.354253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.354253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.354253 (E_RNA)
where:
Base-Base interactions energy: -317.572
where: short stacking energy: -149.779
Base-Backbone interact. energy: -1.399
local terms energy: -172.383125
where:
bonds (distance) C4'-P energy: -34.063
bonds (distance) P-C4' energy: -37.664
flat angles C4'-P-C4' energy: -46.691
flat angles P-C4'-P energy: -32.524
tors. eta vs tors. theta energy: -21.441
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: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -970.189406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.189406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.189406 (E_RNA)
where:
Base-Base interactions energy: -689.231
where: short stacking energy: -279.064
Base-Backbone interact. energy: -1.186
local terms energy: -279.772827
where:
bonds (distance) C4'-P energy: -47.585
bonds (distance) P-C4' energy: -51.861
flat angles C4'-P-C4' energy: -56.771
flat angles P-C4'-P energy: -46.141
tors. eta vs tors. theta energy: -77.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -934.135275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.135275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.135275 (E_RNA)
where:
Base-Base interactions energy: -657.826
where: short stacking energy: -253.473
Base-Backbone interact. energy: -1.908
local terms energy: -274.401484
where:
bonds (distance) C4'-P energy: -51.819
bonds (distance) P-C4' energy: -46.663
flat angles C4'-P-C4' energy: -57.904
flat angles P-C4'-P energy: -43.384
tors. eta vs tors. theta energy: -74.631
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: 10
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -908.687243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.687243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.687243 (E_RNA)
where:
Base-Base interactions energy: -630.086
where: short stacking energy: -263.377
Base-Backbone interact. energy: -2.701
local terms energy: -275.900775
where:
bonds (distance) C4'-P energy: -48.710
bonds (distance) P-C4' energy: -47.837
flat angles C4'-P-C4' energy: -61.132
flat angles P-C4'-P energy: -42.354
tors. eta vs tors. theta energy: -75.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -868.359851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.359851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.359851 (E_RNA)
where:
Base-Base interactions energy: -604.218
where: short stacking energy: -252.142
Base-Backbone interact. energy: 0.423
local terms energy: -264.564300
where:
bonds (distance) C4'-P energy: -60.632
bonds (distance) P-C4' energy: -48.213
flat angles C4'-P-C4' energy: -52.900
flat angles P-C4'-P energy: -35.882
tors. eta vs tors. theta energy: -66.937
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: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -790.331526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.331526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.331526 (E_RNA)
where:
Base-Base interactions energy: -539.727
where: short stacking energy: -227.021
Base-Backbone interact. energy: -0.969
local terms energy: -249.635403
where:
bonds (distance) C4'-P energy: -56.822
bonds (distance) P-C4' energy: -45.444
flat angles C4'-P-C4' energy: -49.396
flat angles P-C4'-P energy: -38.219
tors. eta vs tors. theta energy: -59.754
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: 2
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -757.832343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.832343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.832343 (E_RNA)
where:
Base-Base interactions energy: -537.583
where: short stacking energy: -227.771
Base-Backbone interact. energy: -1.761
local terms energy: -218.488150
where:
bonds (distance) C4'-P energy: -42.187
bonds (distance) P-C4' energy: -39.924
flat angles C4'-P-C4' energy: -57.175
flat angles P-C4'-P energy: -18.532
tors. eta vs tors. theta energy: -60.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -726.312744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.312744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.312744 (E_RNA)
where:
Base-Base interactions energy: -502.725
where: short stacking energy: -206.780
Base-Backbone interact. energy: 0.496
local terms energy: -224.083979
where:
bonds (distance) C4'-P energy: -38.724
bonds (distance) P-C4' energy: -48.237
flat angles C4'-P-C4' energy: -51.391
flat angles P-C4'-P energy: -35.042
tors. eta vs tors. theta energy: -50.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -621.790149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.790149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.790149 (E_RNA)
where:
Base-Base interactions energy: -404.639
where: short stacking energy: -170.633
Base-Backbone interact. energy: -0.229
local terms energy: -216.922132
where:
bonds (distance) C4'-P energy: -44.894
bonds (distance) P-C4' energy: -42.071
flat angles C4'-P-C4' energy: -48.686
flat angles P-C4'-P energy: -38.867
tors. eta vs tors. theta energy: -42.404
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: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -575.893269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.893269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.893269 (E_RNA)
where:
Base-Base interactions energy: -380.165
where: short stacking energy: -167.915
Base-Backbone interact. energy: 0.567
local terms energy: -196.295159
where:
bonds (distance) C4'-P energy: -46.064
bonds (distance) P-C4' energy: -50.468
flat angles C4'-P-C4' energy: -39.848
flat angles P-C4'-P energy: -28.076
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: 3
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -494.080067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.080067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.080067 (E_RNA)
where:
Base-Base interactions energy: -330.646
where: short stacking energy: -138.161
Base-Backbone interact. energy: -0.463
local terms energy: -162.971149
where:
bonds (distance) C4'-P energy: -42.653
bonds (distance) P-C4' energy: -38.924
flat angles C4'-P-C4' energy: -33.672
flat angles P-C4'-P energy: -30.389
tors. eta vs tors. theta energy: -17.332
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: 4
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -974.958070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.958070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.958070 (E_RNA)
where:
Base-Base interactions energy: -690.208
where: short stacking energy: -271.018
Base-Backbone interact. energy: -2.231
local terms energy: -282.519081
where:
bonds (distance) C4'-P energy: -52.995
bonds (distance) P-C4' energy: -54.099
flat angles C4'-P-C4' energy: -58.718
flat angles P-C4'-P energy: -35.249
tors. eta vs tors. theta energy: -81.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -956.610456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.610456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.610456 (E_RNA)
where:
Base-Base interactions energy: -685.286
where: short stacking energy: -273.716
Base-Backbone interact. energy: 0.347
local terms energy: -271.671141
where:
bonds (distance) C4'-P energy: -53.626
bonds (distance) P-C4' energy: -46.854
flat angles C4'-P-C4' energy: -60.320
flat angles P-C4'-P energy: -29.953
tors. eta vs tors. theta energy: -80.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -900.597594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.597594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.597594 (E_RNA)
where:
Base-Base interactions energy: -626.500
where: short stacking energy: -243.306
Base-Backbone interact. energy: -1.259
local terms energy: -272.838959
where:
bonds (distance) C4'-P energy: -48.674
bonds (distance) P-C4' energy: -53.000
flat angles C4'-P-C4' energy: -61.933
flat angles P-C4'-P energy: -45.893
tors. eta vs tors. theta energy: -63.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -871.665601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.665601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.665601 (E_RNA)
where:
Base-Base interactions energy: -620.778
where: short stacking energy: -254.730
Base-Backbone interact. energy: -1.560
local terms energy: -249.327638
where:
bonds (distance) C4'-P energy: -47.554
bonds (distance) P-C4' energy: -50.215
flat angles C4'-P-C4' energy: -52.957
flat angles P-C4'-P energy: -30.088
tors. eta vs tors. theta energy: -68.514
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: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -809.743287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.743287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.743287 (E_RNA)
where:
Base-Base interactions energy: -550.822
where: short stacking energy: -244.560
Base-Backbone interact. energy: -1.367
local terms energy: -257.554584
where:
bonds (distance) C4'-P energy: -53.441
bonds (distance) P-C4' energy: -49.417
flat angles C4'-P-C4' energy: -52.316
flat angles P-C4'-P energy: -31.126
tors. eta vs tors. theta energy: -71.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -764.306957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.306957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.306957 (E_RNA)
where:
Base-Base interactions energy: -551.201
where: short stacking energy: -213.273
Base-Backbone interact. energy: -3.285
local terms energy: -209.820856
where:
bonds (distance) C4'-P energy: -44.057
bonds (distance) P-C4' energy: -40.873
flat angles C4'-P-C4' energy: -33.671
flat angles P-C4'-P energy: -34.110
tors. eta vs tors. theta energy: -57.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -645.936988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.936988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.936988 (E_RNA)
where:
Base-Base interactions energy: -425.688
where: short stacking energy: -191.237
Base-Backbone interact. energy: 0.227
local terms energy: -220.475832
where:
bonds (distance) C4'-P energy: -52.969
bonds (distance) P-C4' energy: -39.513
flat angles C4'-P-C4' energy: -47.225
flat angles P-C4'-P energy: -32.696
tors. eta vs tors. theta energy: -48.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -649.980753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.980753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.980753 (E_RNA)
where:
Base-Base interactions energy: -435.000
where: short stacking energy: -182.483
Base-Backbone interact. energy: 0.220
local terms energy: -215.200958
where:
bonds (distance) C4'-P energy: -41.484
bonds (distance) P-C4' energy: -45.476
flat angles C4'-P-C4' energy: -38.636
flat angles P-C4'-P energy: -41.031
tors. eta vs tors. theta energy: -48.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -495.869601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.869601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.869601 (E_RNA)
where:
Base-Base interactions energy: -327.245
where: short stacking energy: -144.525
Base-Backbone interact. energy: -2.374
local terms energy: -166.250647
where:
bonds (distance) C4'-P energy: -40.044
bonds (distance) P-C4' energy: -38.052
flat angles C4'-P-C4' energy: -42.431
flat angles P-C4'-P energy: -26.312
tors. eta vs tors. theta energy: -19.412
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: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -525.698753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.698753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.698753 (E_RNA)
where:
Base-Base interactions energy: -354.077
where: short stacking energy: -157.987
Base-Backbone interact. energy: 0.402
local terms energy: -172.023942
where:
bonds (distance) C4'-P energy: -30.735
bonds (distance) P-C4' energy: -53.162
flat angles C4'-P-C4' energy: -37.606
flat angles P-C4'-P energy: -24.722
tors. eta vs tors. theta energy: -25.799
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: 1, replica: 4
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -981.514690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.514690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.514690 (E_RNA)
where:
Base-Base interactions energy: -685.106
where: short stacking energy: -264.576
Base-Backbone interact. energy: -2.660
local terms energy: -293.749251
where:
bonds (distance) C4'-P energy: -50.334
bonds (distance) P-C4' energy: -58.658
flat angles C4'-P-C4' energy: -63.874
flat angles P-C4'-P energy: -42.058
tors. eta vs tors. theta energy: -78.825
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: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -948.944758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.944758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.944758 (E_RNA)
where:
Base-Base interactions energy: -675.659
where: short stacking energy: -268.861
Base-Backbone interact. energy: 1.375
local terms energy: -274.661573
where:
bonds (distance) C4'-P energy: -45.412
bonds (distance) P-C4' energy: -43.899
flat angles C4'-P-C4' energy: -59.018
flat angles P-C4'-P energy: -46.702
tors. eta vs tors. theta energy: -79.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -873.134610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.134610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.134610 (E_RNA)
where:
Base-Base interactions energy: -613.855
where: short stacking energy: -238.574
Base-Backbone interact. energy: -2.895
local terms energy: -256.383915
where:
bonds (distance) C4'-P energy: -52.492
bonds (distance) P-C4' energy: -52.942
flat angles C4'-P-C4' energy: -52.291
flat angles P-C4'-P energy: -38.065
tors. eta vs tors. theta energy: -60.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -881.161180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.161180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.161180 (E_RNA)
where:
Base-Base interactions energy: -615.143
where: short stacking energy: -243.970
Base-Backbone interact. energy: -2.397
local terms energy: -263.620589
where:
bonds (distance) C4'-P energy: -56.308
bonds (distance) P-C4' energy: -52.363
flat angles C4'-P-C4' energy: -59.492
flat angles P-C4'-P energy: -28.267
tors. eta vs tors. theta energy: -67.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -777.114030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.114030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.114030 (E_RNA)
where:
Base-Base interactions energy: -544.609
where: short stacking energy: -220.895
Base-Backbone interact. energy: -1.027
local terms energy: -231.478022
where:
bonds (distance) C4'-P energy: -39.075
bonds (distance) P-C4' energy: -49.077
flat angles C4'-P-C4' energy: -56.612
flat angles P-C4'-P energy: -31.546
tors. eta vs tors. theta energy: -55.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -756.398614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.398614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.398614 (E_RNA)
where:
Base-Base interactions energy: -521.929
where: short stacking energy: -219.155
Base-Backbone interact. energy: -0.816
local terms energy: -233.653265
where:
bonds (distance) C4'-P energy: -42.904
bonds (distance) P-C4' energy: -41.596
flat angles C4'-P-C4' energy: -61.045
flat angles P-C4'-P energy: -31.756
tors. eta vs tors. theta energy: -56.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -652.213347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.213347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.213347 (E_RNA)
where:
Base-Base interactions energy: -426.360
where: short stacking energy: -181.239
Base-Backbone interact. energy: -1.771
local terms energy: -224.082637
where:
bonds (distance) C4'-P energy: -48.180
bonds (distance) P-C4' energy: -50.407
flat angles C4'-P-C4' energy: -46.818
flat angles P-C4'-P energy: -33.910
tors. eta vs tors. theta energy: -44.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -650.637541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.637541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.637541 (E_RNA)
where:
Base-Base interactions energy: -451.002
where: short stacking energy: -183.663
Base-Backbone interact. energy: -2.041
local terms energy: -197.594679
where:
bonds (distance) C4'-P energy: -45.453
bonds (distance) P-C4' energy: -38.846
flat angles C4'-P-C4' energy: -44.130
flat angles P-C4'-P energy: -35.571
tors. eta vs tors. theta energy: -33.595
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: 3
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -518.177626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.177626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.177626 (E_RNA)
where:
Base-Base interactions energy: -344.496
where: short stacking energy: -147.937
Base-Backbone interact. energy: 1.165
local terms energy: -174.847034
where:
bonds (distance) C4'-P energy: -36.760
bonds (distance) P-C4' energy: -43.371
flat angles C4'-P-C4' energy: -51.403
flat angles P-C4'-P energy: -18.862
tors. eta vs tors. theta energy: -24.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -497.999618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.999618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.999618 (E_RNA)
where:
Base-Base interactions energy: -332.934
where: short stacking energy: -138.171
Base-Backbone interact. energy: -0.962
local terms energy: -164.103884
where:
bonds (distance) C4'-P energy: -36.708
bonds (distance) P-C4' energy: -42.990
flat angles C4'-P-C4' energy: -44.627
flat angles P-C4'-P energy: -15.662
tors. eta vs tors. theta energy: -24.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -965.107789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.107789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.107789 (E_RNA)
where:
Base-Base interactions energy: -679.759
where: short stacking energy: -273.073
Base-Backbone interact. energy: 0.119
local terms energy: -285.467594
where:
bonds (distance) C4'-P energy: -57.342
bonds (distance) P-C4' energy: -51.202
flat angles C4'-P-C4' energy: -61.151
flat angles P-C4'-P energy: -39.598
tors. eta vs tors. theta energy: -76.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -957.652161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.652161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.652161 (E_RNA)
where:
Base-Base interactions energy: -667.472
where: short stacking energy: -251.055
Base-Backbone interact. energy: -2.111
local terms energy: -288.068502
where:
bonds (distance) C4'-P energy: -50.511
bonds (distance) P-C4' energy: -61.431
flat angles C4'-P-C4' energy: -63.353
flat angles P-C4'-P energy: -34.913
tors. eta vs tors. theta energy: -77.860
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: 3, replica: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -873.363822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.363822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.363822 (E_RNA)
where:
Base-Base interactions energy: -598.593
where: short stacking energy: -250.695
Base-Backbone interact. energy: 1.305
local terms energy: -276.075849
where:
bonds (distance) C4'-P energy: -39.908
bonds (distance) P-C4' energy: -56.416
flat angles C4'-P-C4' energy: -54.542
flat angles P-C4'-P energy: -50.317
tors. eta vs tors. theta energy: -74.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -860.285000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.285000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.285000 (E_RNA)
where:
Base-Base interactions energy: -604.604
where: short stacking energy: -252.113
Base-Backbone interact. energy: -0.828
local terms energy: -254.852662
where:
bonds (distance) C4'-P energy: -48.661
bonds (distance) P-C4' energy: -42.154
flat angles C4'-P-C4' energy: -59.663
flat angles P-C4'-P energy: -34.929
tors. eta vs tors. theta energy: -69.445
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: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -770.791982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.791982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.791982 (E_RNA)
where:
Base-Base interactions energy: -536.196
where: short stacking energy: -219.180
Base-Backbone interact. energy: 1.793
local terms energy: -236.388528
where:
bonds (distance) C4'-P energy: -48.260
bonds (distance) P-C4' energy: -45.837
flat angles C4'-P-C4' energy: -45.677
flat angles P-C4'-P energy: -43.140
tors. eta vs tors. theta energy: -53.475
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: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -784.399969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.399969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.399969 (E_RNA)
where:
Base-Base interactions energy: -547.651
where: short stacking energy: -230.343
Base-Backbone interact. energy: -2.017
local terms energy: -234.732114
where:
bonds (distance) C4'-P energy: -42.628
bonds (distance) P-C4' energy: -50.880
flat angles C4'-P-C4' energy: -53.770
flat angles P-C4'-P energy: -31.263
tors. eta vs tors. theta energy: -56.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -676.216812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.216812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.216812 (E_RNA)
where:
Base-Base interactions energy: -458.086
where: short stacking energy: -189.324
Base-Backbone interact. energy: -0.562
local terms energy: -217.568635
where:
bonds (distance) C4'-P energy: -45.527
bonds (distance) P-C4' energy: -40.837
flat angles C4'-P-C4' energy: -45.970
flat angles P-C4'-P energy: -35.447
tors. eta vs tors. theta energy: -49.788
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: 9
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -636.342283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.342283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.342283 (E_RNA)
where:
Base-Base interactions energy: -429.739
where: short stacking energy: -169.916
Base-Backbone interact. energy: -1.182
local terms energy: -205.421853
where:
bonds (distance) C4'-P energy: -51.157
bonds (distance) P-C4' energy: -49.937
flat angles C4'-P-C4' energy: -40.713
flat angles P-C4'-P energy: -30.261
tors. eta vs tors. theta energy: -33.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -539.437610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.437610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.437610 (E_RNA)
where:
Base-Base interactions energy: -342.760
where: short stacking energy: -151.288
Base-Backbone interact. energy: 0.270
local terms energy: -196.947582
where:
bonds (distance) C4'-P energy: -45.565
bonds (distance) P-C4' energy: -41.564
flat angles C4'-P-C4' energy: -44.117
flat angles P-C4'-P energy: -35.433
tors. eta vs tors. theta energy: -30.268
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: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -494.600827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.600827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.600827 (E_RNA)
where:
Base-Base interactions energy: -333.454
where: short stacking energy: -163.222
Base-Backbone interact. energy: -0.482
local terms energy: -160.664569
where:
bonds (distance) C4'-P energy: -37.592
bonds (distance) P-C4' energy: -38.891
flat angles C4'-P-C4' energy: -36.633
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -34.810
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: 161
Temperature: 0.900000
Total energy: -967.399315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.399315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.399315 (E_RNA)
where:
Base-Base interactions energy: -683.172
where: short stacking energy: -279.558
Base-Backbone interact. energy: -2.204
local terms energy: -282.023924
where:
bonds (distance) C4'-P energy: -52.569
bonds (distance) P-C4' energy: -49.433
flat angles C4'-P-C4' energy: -53.026
flat angles P-C4'-P energy: -45.457
tors. eta vs tors. theta energy: -81.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -969.775143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.775143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.775143 (E_RNA)
where:
Base-Base interactions energy: -672.067
where: short stacking energy: -267.465
Base-Backbone interact. energy: -3.695
local terms energy: -294.013028
where:
bonds (distance) C4'-P energy: -56.500
bonds (distance) P-C4' energy: -55.477
flat angles C4'-P-C4' energy: -53.648
flat angles P-C4'-P energy: -47.676
tors. eta vs tors. theta energy: -80.712
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: 6
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -868.294493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.294493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.294493 (E_RNA)
where:
Base-Base interactions energy: -608.504
where: short stacking energy: -252.003
Base-Backbone interact. energy: -0.395
local terms energy: -259.395705
where:
bonds (distance) C4'-P energy: -45.669
bonds (distance) P-C4' energy: -46.879
flat angles C4'-P-C4' energy: -62.334
flat angles P-C4'-P energy: -31.892
tors. eta vs tors. theta energy: -72.622
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: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -874.723745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.723745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.723745 (E_RNA)
where:
Base-Base interactions energy: -615.480
where: short stacking energy: -253.659
Base-Backbone interact. energy: 2.619
local terms energy: -261.862583
where:
bonds (distance) C4'-P energy: -48.638
bonds (distance) P-C4' energy: -46.794
flat angles C4'-P-C4' energy: -56.548
flat angles P-C4'-P energy: -44.693
tors. eta vs tors. theta energy: -65.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -761.415649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.415649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.415649 (E_RNA)
where:
Base-Base interactions energy: -530.610
where: short stacking energy: -220.659
Base-Backbone interact. energy: -0.619
local terms energy: -230.186390
where:
bonds (distance) C4'-P energy: -45.361
bonds (distance) P-C4' energy: -57.128
flat angles C4'-P-C4' energy: -51.840
flat angles P-C4'-P energy: -27.339
tors. eta vs tors. theta energy: -48.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -776.772313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.772313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.772313 (E_RNA)
where:
Base-Base interactions energy: -526.567
where: short stacking energy: -223.754
Base-Backbone interact. energy: 2.330
local terms energy: -252.534953
where:
bonds (distance) C4'-P energy: -47.463
bonds (distance) P-C4' energy: -49.698
flat angles C4'-P-C4' energy: -60.139
flat angles P-C4'-P energy: -34.793
tors. eta vs tors. theta energy: -60.441
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: 161
Temperature: 1.200000
Total energy: -691.221492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.221492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.221492 (E_RNA)
where:
Base-Base interactions energy: -474.241
where: short stacking energy: -182.985
Base-Backbone interact. energy: -1.599
local terms energy: -215.380897
where:
bonds (distance) C4'-P energy: -45.612
bonds (distance) P-C4' energy: -43.081
flat angles C4'-P-C4' energy: -51.053
flat angles P-C4'-P energy: -24.943
tors. eta vs tors. theta energy: -50.692
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: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -512.975781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.975781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.975781 (E_RNA)
where:
Base-Base interactions energy: -309.937
where: short stacking energy: -143.343
Base-Backbone interact. energy: -1.252
local terms energy: -201.787248
where:
bonds (distance) C4'-P energy: -49.107
bonds (distance) P-C4' energy: -50.768
flat angles C4'-P-C4' energy: -52.245
flat angles P-C4'-P energy: -28.941
tors. eta vs tors. theta energy: -20.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -587.012609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.012609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.012609 (E_RNA)
where:
Base-Base interactions energy: -412.069
where: short stacking energy: -169.782
Base-Backbone interact. energy: -0.639
local terms energy: -174.304421
where:
bonds (distance) C4'-P energy: -41.021
bonds (distance) P-C4' energy: -39.505
flat angles C4'-P-C4' energy: -41.380
flat angles P-C4'-P energy: -27.976
tors. eta vs tors. theta energy: -24.422
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: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -519.731460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.731460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.731460 (E_RNA)
where:
Base-Base interactions energy: -333.189
where: short stacking energy: -133.107
Base-Backbone interact. energy: -0.368
local terms energy: -186.174603
where:
bonds (distance) C4'-P energy: -46.814
bonds (distance) P-C4' energy: -48.030
flat angles C4'-P-C4' energy: -44.098
flat angles P-C4'-P energy: -21.064
tors. eta vs tors. theta energy: -26.168
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: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -975.453510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.453510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.453510 (E_RNA)
where:
Base-Base interactions energy: -682.736
where: short stacking energy: -286.525
Base-Backbone interact. energy: -0.728
local terms energy: -291.989011
where:
bonds (distance) C4'-P energy: -51.444
bonds (distance) P-C4' energy: -54.843
flat angles C4'-P-C4' energy: -61.646
flat angles P-C4'-P energy: -44.079
tors. eta vs tors. theta energy: -79.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -973.948898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.948898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.948898 (E_RNA)
where:
Base-Base interactions energy: -689.693
where: short stacking energy: -282.646
Base-Backbone interact. energy: 0.334
local terms energy: -284.589591
where:
bonds (distance) C4'-P energy: -54.432
bonds (distance) P-C4' energy: -48.968
flat angles C4'-P-C4' energy: -55.563
flat angles P-C4'-P energy: -43.594
tors. eta vs tors. theta energy: -82.033
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: 6
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -885.595998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.595998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.595998 (E_RNA)
where:
Base-Base interactions energy: -615.792
where: short stacking energy: -255.874
Base-Backbone interact. energy: -1.085
local terms energy: -268.719588
where:
bonds (distance) C4'-P energy: -52.256
bonds (distance) P-C4' energy: -46.500
flat angles C4'-P-C4' energy: -59.704
flat angles P-C4'-P energy: -38.315
tors. eta vs tors. theta energy: -71.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -865.108040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.108040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.108040 (E_RNA)
where:
Base-Base interactions energy: -602.736
where: short stacking energy: -236.423
Base-Backbone interact. energy: -1.523
local terms energy: -260.849372
where:
bonds (distance) C4'-P energy: -48.911
bonds (distance) P-C4' energy: -53.168
flat angles C4'-P-C4' energy: -56.310
flat angles P-C4'-P energy: -36.027
tors. eta vs tors. theta energy: -66.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -783.488748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.488748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.488748 (E_RNA)
where:
Base-Base interactions energy: -544.135
where: short stacking energy: -227.806
Base-Backbone interact. energy: -1.264
local terms energy: -238.089560
where:
bonds (distance) C4'-P energy: -44.494
bonds (distance) P-C4' energy: -47.247
flat angles C4'-P-C4' energy: -57.909
flat angles P-C4'-P energy: -35.846
tors. eta vs tors. theta energy: -52.594
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: 2
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -770.245446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.245446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.245446 (E_RNA)
where:
Base-Base interactions energy: -525.230
where: short stacking energy: -218.780
Base-Backbone interact. energy: 0.093
local terms energy: -245.108867
where:
bonds (distance) C4'-P energy: -49.951
bonds (distance) P-C4' energy: -48.699
flat angles C4'-P-C4' energy: -56.410
flat angles P-C4'-P energy: -28.189
tors. eta vs tors. theta energy: -61.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -693.528958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.528958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.528958 (E_RNA)
where:
Base-Base interactions energy: -461.356
where: short stacking energy: -177.125
Base-Backbone interact. energy: -0.955
local terms energy: -231.218072
where:
bonds (distance) C4'-P energy: -47.321
bonds (distance) P-C4' energy: -50.051
flat angles C4'-P-C4' energy: -48.227
flat angles P-C4'-P energy: -35.244
tors. eta vs tors. theta energy: -50.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -532.770384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.770384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.770384 (E_RNA)
where:
Base-Base interactions energy: -327.505
where: short stacking energy: -166.071
Base-Backbone interact. energy: -0.952
local terms energy: -204.313417
where:
bonds (distance) C4'-P energy: -51.431
bonds (distance) P-C4' energy: -47.501
flat angles C4'-P-C4' energy: -52.835
flat angles P-C4'-P energy: -22.096
tors. eta vs tors. theta energy: -30.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -590.444591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.444591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.444591 (E_RNA)
where:
Base-Base interactions energy: -392.799
where: short stacking energy: -164.912
Base-Backbone interact. energy: 2.317
local terms energy: -199.962607
where:
bonds (distance) C4'-P energy: -43.270
bonds (distance) P-C4' energy: -51.485
flat angles C4'-P-C4' energy: -44.620
flat angles P-C4'-P energy: -37.513
tors. eta vs tors. theta energy: -23.074
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: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -531.227214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.227214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.227214 (E_RNA)
where:
Base-Base interactions energy: -330.743
where: short stacking energy: -149.495
Base-Backbone interact. energy: 0.195
local terms energy: -200.678715
where:
bonds (distance) C4'-P energy: -36.760
bonds (distance) P-C4' energy: -50.971
flat angles C4'-P-C4' energy: -51.309
flat angles P-C4'-P energy: -29.510
tors. eta vs tors. theta energy: -32.129
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: 1, replica: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -987.422552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.422552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.422552 (E_RNA)
where:
Base-Base interactions energy: -700.280
where: short stacking energy: -294.040
Base-Backbone interact. energy: -1.307
local terms energy: -285.834951
where:
bonds (distance) C4'-P energy: -53.902
bonds (distance) P-C4' energy: -53.426
flat angles C4'-P-C4' energy: -57.915
flat angles P-C4'-P energy: -39.737
tors. eta vs tors. theta energy: -80.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -970.239028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.239028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.239028 (E_RNA)
where:
Base-Base interactions energy: -677.116
where: short stacking energy: -275.266
Base-Backbone interact. energy: -1.750
local terms energy: -291.372730
where:
bonds (distance) C4'-P energy: -52.645
bonds (distance) P-C4' energy: -47.447
flat angles C4'-P-C4' energy: -62.407
flat angles P-C4'-P energy: -43.856
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: 3, replica: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -900.013506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.013506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.013506 (E_RNA)
where:
Base-Base interactions energy: -621.217
where: short stacking energy: -273.836
Base-Backbone interact. energy: -0.541
local terms energy: -278.255598
where:
bonds (distance) C4'-P energy: -46.133
bonds (distance) P-C4' energy: -50.618
flat angles C4'-P-C4' energy: -63.600
flat angles P-C4'-P energy: -46.368
tors. eta vs tors. theta energy: -71.536
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: 4, replica: 10
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -865.851592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.851592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.851592 (E_RNA)
where:
Base-Base interactions energy: -621.867
where: short stacking energy: -256.574
Base-Backbone interact. energy: -0.792
local terms energy: -243.191983
where:
bonds (distance) C4'-P energy: -49.635
bonds (distance) P-C4' energy: -51.086
flat angles C4'-P-C4' energy: -46.018
flat angles P-C4'-P energy: -34.006
tors. eta vs tors. theta energy: -62.448
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: 5, replica: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -795.939350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.939350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.939350 (E_RNA)
where:
Base-Base interactions energy: -532.274
where: short stacking energy: -224.332
Base-Backbone interact. energy: -1.986
local terms energy: -261.679391
where:
bonds (distance) C4'-P energy: -46.592
bonds (distance) P-C4' energy: -60.985
flat angles C4'-P-C4' energy: -56.941
flat angles P-C4'-P energy: -33.738
tors. eta vs tors. theta energy: -63.423
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: 2
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -765.293718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.293718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.293718 (E_RNA)
where:
Base-Base interactions energy: -528.853
where: short stacking energy: -212.282
Base-Backbone interact. energy: -1.284
local terms energy: -235.157253
where:
bonds (distance) C4'-P energy: -45.715
bonds (distance) P-C4' energy: -49.119
flat angles C4'-P-C4' energy: -51.451
flat angles P-C4'-P energy: -34.995
tors. eta vs tors. theta energy: -53.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -731.221052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.221052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.221052 (E_RNA)
where:
Base-Base interactions energy: -502.316
where: short stacking energy: -215.153
Base-Backbone interact. energy: 1.075
local terms energy: -229.980333
where:
bonds (distance) C4'-P energy: -37.194
bonds (distance) P-C4' energy: -55.237
flat angles C4'-P-C4' energy: -51.770
flat angles P-C4'-P energy: -30.274
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: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -616.357593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.357593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.357593 (E_RNA)
where:
Base-Base interactions energy: -406.077
where: short stacking energy: -183.152
Base-Backbone interact. energy: -0.683
local terms energy: -209.598256
where:
bonds (distance) C4'-P energy: -51.865
bonds (distance) P-C4' energy: -41.139
flat angles C4'-P-C4' energy: -55.807
flat angles P-C4'-P energy: -21.995
tors. eta vs tors. theta energy: -38.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -495.678623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.678623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.678623 (E_RNA)
where:
Base-Base interactions energy: -311.313
where: short stacking energy: -146.109
Base-Backbone interact. energy: -3.041
local terms energy: -181.324708
where:
bonds (distance) C4'-P energy: -52.061
bonds (distance) P-C4' energy: -50.014
flat angles C4'-P-C4' energy: -42.800
flat angles P-C4'-P energy: -17.383
tors. eta vs tors. theta energy: -19.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -525.866855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.866855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.866855 (E_RNA)
where:
Base-Base interactions energy: -323.826
where: short stacking energy: -153.045
Base-Backbone interact. energy: -0.387
local terms energy: -201.653857
where:
bonds (distance) C4'-P energy: -42.479
bonds (distance) P-C4' energy: -57.546
flat angles C4'-P-C4' energy: -38.296
flat angles P-C4'-P energy: -24.603
tors. eta vs tors. theta energy: -38.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -981.598914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.598914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.598914 (E_RNA)
where:
Base-Base interactions energy: -692.399
where: short stacking energy: -279.301
Base-Backbone interact. energy: -0.548
local terms energy: -288.652386
where:
bonds (distance) C4'-P energy: -53.943
bonds (distance) P-C4' energy: -53.589
flat angles C4'-P-C4' energy: -58.745
flat angles P-C4'-P energy: -39.284
tors. eta vs tors. theta energy: -83.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -978.640959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.640959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.640959 (E_RNA)
where:
Base-Base interactions energy: -675.449
where: short stacking energy: -285.179
Base-Backbone interact. energy: -2.724
local terms energy: -300.467852
where:
bonds (distance) C4'-P energy: -52.484
bonds (distance) P-C4' energy: -48.159
flat angles C4'-P-C4' energy: -65.718
flat angles P-C4'-P energy: -48.729
tors. eta vs tors. theta energy: -85.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -891.606126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.606126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.606126 (E_RNA)
where:
Base-Base interactions energy: -609.199
where: short stacking energy: -247.303
Base-Backbone interact. energy: -2.332
local terms energy: -280.075655
where:
bonds (distance) C4'-P energy: -50.361
bonds (distance) P-C4' energy: -56.376
flat angles C4'-P-C4' energy: -54.921
flat angles P-C4'-P energy: -46.963
tors. eta vs tors. theta energy: -71.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -875.686653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.686653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.686653 (E_RNA)
where:
Base-Base interactions energy: -610.270
where: short stacking energy: -249.678
Base-Backbone interact. energy: -0.687
local terms energy: -264.730188
where:
bonds (distance) C4'-P energy: -54.066
bonds (distance) P-C4' energy: -49.686
flat angles C4'-P-C4' energy: -49.740
flat angles P-C4'-P energy: -39.707
tors. eta vs tors. theta energy: -71.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -783.060880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.060880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.060880 (E_RNA)
where:
Base-Base interactions energy: -539.293
where: short stacking energy: -236.986
Base-Backbone interact. energy: -0.812
local terms energy: -242.956144
where:
bonds (distance) C4'-P energy: -35.779
bonds (distance) P-C4' energy: -55.222
flat angles C4'-P-C4' energy: -52.577
flat angles P-C4'-P energy: -39.500
tors. eta vs tors. theta energy: -59.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -769.146152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.146152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.146152 (E_RNA)
where:
Base-Base interactions energy: -539.438
where: short stacking energy: -217.438
Base-Backbone interact. energy: -1.192
local terms energy: -228.516538
where:
bonds (distance) C4'-P energy: -53.852
bonds (distance) P-C4' energy: -34.538
flat angles C4'-P-C4' energy: -51.132
flat angles P-C4'-P energy: -32.042
tors. eta vs tors. theta energy: -56.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -710.111075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.111075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.111075 (E_RNA)
where:
Base-Base interactions energy: -499.777
where: short stacking energy: -200.080
Base-Backbone interact. energy: -1.182
local terms energy: -209.151487
where:
bonds (distance) C4'-P energy: -40.667
bonds (distance) P-C4' energy: -38.809
flat angles C4'-P-C4' energy: -57.404
flat angles P-C4'-P energy: -27.451
tors. eta vs tors. theta energy: -44.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -614.223069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.223069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.223069 (E_RNA)
where:
Base-Base interactions energy: -397.774
where: short stacking energy: -181.297
Base-Backbone interact. energy: -1.658
local terms energy: -214.791460
where:
bonds (distance) C4'-P energy: -46.872
bonds (distance) P-C4' energy: -41.800
flat angles C4'-P-C4' energy: -53.356
flat angles P-C4'-P energy: -34.317
tors. eta vs tors. theta energy: -38.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -571.459243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.459243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.459243 (E_RNA)
where:
Base-Base interactions energy: -363.582
where: short stacking energy: -175.641
Base-Backbone interact. energy: -0.386
local terms energy: -207.491913
where:
bonds (distance) C4'-P energy: -48.011
bonds (distance) P-C4' energy: -45.461
flat angles C4'-P-C4' energy: -50.013
flat angles P-C4'-P energy: -21.363
tors. eta vs tors. theta energy: -42.644
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: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -471.930431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.930431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.930431 (E_RNA)
where:
Base-Base interactions energy: -315.652
where: short stacking energy: -147.287
Base-Backbone interact. energy: 1.351
local terms energy: -157.629187
where:
bonds (distance) C4'-P energy: -34.195
bonds (distance) P-C4' energy: -47.353
flat angles C4'-P-C4' energy: -29.726
flat angles P-C4'-P energy: -25.583
tors. eta vs tors. theta energy: -20.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -973.600670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.600670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.600670 (E_RNA)
where:
Base-Base interactions energy: -664.399
where: short stacking energy: -286.067
Base-Backbone interact. energy: -1.029
local terms energy: -308.171940
where:
bonds (distance) C4'-P energy: -52.611
bonds (distance) P-C4' energy: -57.087
flat angles C4'-P-C4' energy: -66.602
flat angles P-C4'-P energy: -46.057
tors. eta vs tors. theta energy: -85.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -972.674999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.674999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.674999 (E_RNA)
where:
Base-Base interactions energy: -691.041
where: short stacking energy: -275.061
Base-Backbone interact. energy: 0.057
local terms energy: -281.690761
where:
bonds (distance) C4'-P energy: -52.039
bonds (distance) P-C4' energy: -52.775
flat angles C4'-P-C4' energy: -56.600
flat angles P-C4'-P energy: -39.560
tors. eta vs tors. theta energy: -80.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -867.179915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.179915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.179915 (E_RNA)
where:
Base-Base interactions energy: -594.976
where: short stacking energy: -242.379
Base-Backbone interact. energy: -1.784
local terms energy: -270.419079
where:
bonds (distance) C4'-P energy: -52.114
bonds (distance) P-C4' energy: -55.339
flat angles C4'-P-C4' energy: -61.791
flat angles P-C4'-P energy: -32.836
tors. eta vs tors. theta energy: -68.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -877.703786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.703786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.703786 (E_RNA)
where:
Base-Base interactions energy: -620.392
where: short stacking energy: -272.335
Base-Backbone interact. energy: -0.879
local terms energy: -256.432974
where:
bonds (distance) C4'-P energy: -45.097
bonds (distance) P-C4' energy: -50.000
flat angles C4'-P-C4' energy: -54.501
flat angles P-C4'-P energy: -34.322
tors. eta vs tors. theta energy: -72.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -807.043496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.043496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.043496 (E_RNA)
where:
Base-Base interactions energy: -569.254
where: short stacking energy: -247.482
Base-Backbone interact. energy: -1.485
local terms energy: -236.304467
where:
bonds (distance) C4'-P energy: -41.524
bonds (distance) P-C4' energy: -45.584
flat angles C4'-P-C4' energy: -53.458
flat angles P-C4'-P energy: -28.275
tors. eta vs tors. theta energy: -67.464
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: 7
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -730.996965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.996965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.996965 (E_RNA)
where:
Base-Base interactions energy: -507.057
where: short stacking energy: -214.120
Base-Backbone interact. energy: 0.252
local terms energy: -224.192069
where:
bonds (distance) C4'-P energy: -54.974
bonds (distance) P-C4' energy: -41.419
flat angles C4'-P-C4' energy: -40.784
flat angles P-C4'-P energy: -33.437
tors. eta vs tors. theta energy: -53.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -783.429349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.429349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.429349 (E_RNA)
where:
Base-Base interactions energy: -537.023
where: short stacking energy: -227.322
Base-Backbone interact. energy: 0.964
local terms energy: -247.370209
where:
bonds (distance) C4'-P energy: -49.888
bonds (distance) P-C4' energy: -50.282
flat angles C4'-P-C4' energy: -52.499
flat angles P-C4'-P energy: -34.325
tors. eta vs tors. theta energy: -60.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -624.697404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.697404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.697404 (E_RNA)
where:
Base-Base interactions energy: -427.351
where: short stacking energy: -175.664
Base-Backbone interact. energy: 0.127
local terms energy: -197.472768
where:
bonds (distance) C4'-P energy: -45.909
bonds (distance) P-C4' energy: -42.277
flat angles C4'-P-C4' energy: -40.675
flat angles P-C4'-P energy: -33.632
tors. eta vs tors. theta energy: -34.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -530.045817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.045817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.045817 (E_RNA)
where:
Base-Base interactions energy: -332.399
where: short stacking energy: -131.072
Base-Backbone interact. energy: 1.118
local terms energy: -198.764415
where:
bonds (distance) C4'-P energy: -45.754
bonds (distance) P-C4' energy: -46.801
flat angles C4'-P-C4' energy: -51.079
flat angles P-C4'-P energy: -30.615
tors. eta vs tors. theta energy: -24.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -474.870464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.870464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.870464 (E_RNA)
where:
Base-Base interactions energy: -293.101
where: short stacking energy: -138.365
Base-Backbone interact. energy: 0.450
local terms energy: -182.219630
where:
bonds (distance) C4'-P energy: -43.248
bonds (distance) P-C4' energy: -43.610
flat angles C4'-P-C4' energy: -44.318
flat angles P-C4'-P energy: -27.596
tors. eta vs tors. theta energy: -23.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -972.714149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.714149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.714149 (E_RNA)
where:
Base-Base interactions energy: -682.299
where: short stacking energy: -276.504
Base-Backbone interact. energy: -0.377
local terms energy: -290.038660
where:
bonds (distance) C4'-P energy: -52.633
bonds (distance) P-C4' energy: -57.096
flat angles C4'-P-C4' energy: -59.387
flat angles P-C4'-P energy: -40.697
tors. eta vs tors. theta energy: -80.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -946.591473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.591473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.591473 (E_RNA)
where:
Base-Base interactions energy: -664.357
where: short stacking energy: -261.568
Base-Backbone interact. energy: -2.878
local terms energy: -279.355859
where:
bonds (distance) C4'-P energy: -51.493
bonds (distance) P-C4' energy: -53.109
flat angles C4'-P-C4' energy: -57.224
flat angles P-C4'-P energy: -42.409
tors. eta vs tors. theta energy: -75.120
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: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -897.905259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.905259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.905259 (E_RNA)
where:
Base-Base interactions energy: -634.395
where: short stacking energy: -239.928
Base-Backbone interact. energy: -1.603
local terms energy: -261.907771
where:
bonds (distance) C4'-P energy: -49.829
bonds (distance) P-C4' energy: -48.489
flat angles C4'-P-C4' energy: -58.391
flat angles P-C4'-P energy: -44.464
tors. eta vs tors. theta energy: -60.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -855.478299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.478299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.478299 (E_RNA)
where:
Base-Base interactions energy: -586.777
where: short stacking energy: -247.114
Base-Backbone interact. energy: -4.007
local terms energy: -264.694706
where:
bonds (distance) C4'-P energy: -46.621
bonds (distance) P-C4' energy: -52.896
flat angles C4'-P-C4' energy: -52.637
flat angles P-C4'-P energy: -41.904
tors. eta vs tors. theta energy: -70.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -801.248410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.248410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.248410 (E_RNA)
where:
Base-Base interactions energy: -546.159
where: short stacking energy: -232.385
Base-Backbone interact. energy: -0.776
local terms energy: -254.313968
where:
bonds (distance) C4'-P energy: -45.783
bonds (distance) P-C4' energy: -45.796
flat angles C4'-P-C4' energy: -58.651
flat angles P-C4'-P energy: -43.453
tors. eta vs tors. theta energy: -60.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -703.442746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.442746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.442746 (E_RNA)
where:
Base-Base interactions energy: -478.452
where: short stacking energy: -187.775
Base-Backbone interact. energy: 2.634
local terms energy: -227.625533
where:
bonds (distance) C4'-P energy: -43.093
bonds (distance) P-C4' energy: -59.127
flat angles C4'-P-C4' energy: -51.381
flat angles P-C4'-P energy: -30.688
tors. eta vs tors. theta energy: -43.337
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: 2
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -735.503734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.503734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.503734 (E_RNA)
where:
Base-Base interactions energy: -510.688
where: short stacking energy: -197.718
Base-Backbone interact. energy: 1.108
local terms energy: -225.924413
where:
bonds (distance) C4'-P energy: -44.733
bonds (distance) P-C4' energy: -54.209
flat angles C4'-P-C4' energy: -50.444
flat angles P-C4'-P energy: -36.554
tors. eta vs tors. theta energy: -39.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -612.239641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.239641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.239641 (E_RNA)
where:
Base-Base interactions energy: -415.866
where: short stacking energy: -158.774
Base-Backbone interact. energy: -2.557
local terms energy: -193.816965
where:
bonds (distance) C4'-P energy: -44.838
bonds (distance) P-C4' energy: -51.560
flat angles C4'-P-C4' energy: -38.659
flat angles P-C4'-P energy: -28.627
tors. eta vs tors. theta energy: -30.132
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: 9, replica: 3
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -492.137329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.137329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.137329 (E_RNA)
where:
Base-Base interactions energy: -303.465
where: short stacking energy: -133.487
Base-Backbone interact. energy: 0.305
local terms energy: -188.977343
where:
bonds (distance) C4'-P energy: -43.761
bonds (distance) P-C4' energy: -41.709
flat angles C4'-P-C4' energy: -45.711
flat angles P-C4'-P energy: -29.203
tors. eta vs tors. theta energy: -28.594
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: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -531.367266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.367266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.367266 (E_RNA)
where:
Base-Base interactions energy: -333.253
where: short stacking energy: -139.754
Base-Backbone interact. energy: -1.013
local terms energy: -197.100323
where:
bonds (distance) C4'-P energy: -38.480
bonds (distance) P-C4' energy: -55.345
flat angles C4'-P-C4' energy: -42.831
flat angles P-C4'-P energy: -21.912
tors. eta vs tors. theta energy: -38.532
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: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -983.454790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.454790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.454790 (E_RNA)
where:
Base-Base interactions energy: -686.289
where: short stacking energy: -276.555
Base-Backbone interact. energy: -0.204
local terms energy: -296.961751
where:
bonds (distance) C4'-P energy: -54.661
bonds (distance) P-C4' energy: -51.671
flat angles C4'-P-C4' energy: -58.908
flat angles P-C4'-P energy: -42.440
tors. eta vs tors. theta energy: -89.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -968.402784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.402784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.402784 (E_RNA)
where:
Base-Base interactions energy: -681.117
where: short stacking energy: -270.061
Base-Backbone interact. energy: -3.919
local terms energy: -283.366547
where:
bonds (distance) C4'-P energy: -47.588
bonds (distance) P-C4' energy: -51.837
flat angles C4'-P-C4' energy: -65.143
flat angles P-C4'-P energy: -36.809
tors. eta vs tors. theta energy: -81.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -907.043565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.043565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.043565 (E_RNA)
where:
Base-Base interactions energy: -634.915
where: short stacking energy: -252.842
Base-Backbone interact. energy: -1.553
local terms energy: -270.574992
where:
bonds (distance) C4'-P energy: -49.553
bonds (distance) P-C4' energy: -51.633
flat angles C4'-P-C4' energy: -52.384
flat angles P-C4'-P energy: -41.356
tors. eta vs tors. theta energy: -75.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -854.368928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.368928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.368928 (E_RNA)
where:
Base-Base interactions energy: -583.445
where: short stacking energy: -247.477
Base-Backbone interact. energy: 0.377
local terms energy: -271.301345
where:
bonds (distance) C4'-P energy: -60.291
bonds (distance) P-C4' energy: -43.417
flat angles C4'-P-C4' energy: -54.961
flat angles P-C4'-P energy: -40.536
tors. eta vs tors. theta energy: -72.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -798.577207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.577207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.577207 (E_RNA)
where:
Base-Base interactions energy: -534.728
where: short stacking energy: -219.304
Base-Backbone interact. energy: 0.156
local terms energy: -264.005120
where:
bonds (distance) C4'-P energy: -53.829
bonds (distance) P-C4' energy: -55.503
flat angles C4'-P-C4' energy: -58.627
flat angles P-C4'-P energy: -38.129
tors. eta vs tors. theta energy: -57.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -762.841649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.841649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.841649 (E_RNA)
where:
Base-Base interactions energy: -525.854
where: short stacking energy: -213.716
Base-Backbone interact. energy: -1.865
local terms energy: -235.122075
where:
bonds (distance) C4'-P energy: -47.522
bonds (distance) P-C4' energy: -45.745
flat angles C4'-P-C4' energy: -56.672
flat angles P-C4'-P energy: -33.622
tors. eta vs tors. theta energy: -51.561
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: 167
Temperature: 1.200000
Total energy: -713.172630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.172630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.172630 (E_RNA)
where:
Base-Base interactions energy: -488.250
where: short stacking energy: -204.924
Base-Backbone interact. energy: -0.887
local terms energy: -224.035777
where:
bonds (distance) C4'-P energy: -40.919
bonds (distance) P-C4' energy: -45.458
flat angles C4'-P-C4' energy: -49.840
flat angles P-C4'-P energy: -35.847
tors. eta vs tors. theta energy: -51.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -636.453411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.453411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.453411 (E_RNA)
where:
Base-Base interactions energy: -422.137
where: short stacking energy: -182.386
Base-Backbone interact. energy: -1.220
local terms energy: -213.096317
where:
bonds (distance) C4'-P energy: -40.245
bonds (distance) P-C4' energy: -43.256
flat angles C4'-P-C4' energy: -49.649
flat angles P-C4'-P energy: -33.446
tors. eta vs tors. theta energy: -46.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -498.275242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.275242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.275242 (E_RNA)
where:
Base-Base interactions energy: -296.800
where: short stacking energy: -135.117
Base-Backbone interact. energy: -1.432
local terms energy: -200.043225
where:
bonds (distance) C4'-P energy: -45.050
bonds (distance) P-C4' energy: -41.771
flat angles C4'-P-C4' energy: -51.240
flat angles P-C4'-P energy: -33.793
tors. eta vs tors. theta energy: -28.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -512.378980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.378980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.378980 (E_RNA)
where:
Base-Base interactions energy: -330.511
where: short stacking energy: -144.192
Base-Backbone interact. energy: -0.910
local terms energy: -180.957501
where:
bonds (distance) C4'-P energy: -45.020
bonds (distance) P-C4' energy: -42.874
flat angles C4'-P-C4' energy: -47.129
flat angles P-C4'-P energy: -24.925
tors. eta vs tors. theta energy: -21.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -981.384186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.384186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.384186 (E_RNA)
where:
Base-Base interactions energy: -672.182
where: short stacking energy: -263.794
Base-Backbone interact. energy: -2.493
local terms energy: -306.708858
where:
bonds (distance) C4'-P energy: -58.318
bonds (distance) P-C4' energy: -56.209
flat angles C4'-P-C4' energy: -70.205
flat angles P-C4'-P energy: -43.558
tors. eta vs tors. theta energy: -78.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -957.380850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.380850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.380850 (E_RNA)
where:
Base-Base interactions energy: -658.229
where: short stacking energy: -269.773
Base-Backbone interact. energy: -2.449
local terms energy: -296.702771
where:
bonds (distance) C4'-P energy: -50.955
bonds (distance) P-C4' energy: -57.638
flat angles C4'-P-C4' energy: -57.414
flat angles P-C4'-P energy: -47.363
tors. eta vs tors. theta energy: -83.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -878.917669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.917669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.917669 (E_RNA)
where:
Base-Base interactions energy: -604.802
where: short stacking energy: -254.360
Base-Backbone interact. energy: -1.766
local terms energy: -272.349981
where:
bonds (distance) C4'-P energy: -52.989
bonds (distance) P-C4' energy: -50.059
flat angles C4'-P-C4' energy: -55.882
flat angles P-C4'-P energy: -45.764
tors. eta vs tors. theta energy: -67.656
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: 4, replica: 10
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -890.806621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.806621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.806621 (E_RNA)
where:
Base-Base interactions energy: -621.093
where: short stacking energy: -258.688
Base-Backbone interact. energy: -1.154
local terms energy: -268.559816
where:
bonds (distance) C4'-P energy: -54.144
bonds (distance) P-C4' energy: -51.318
flat angles C4'-P-C4' energy: -53.521
flat angles P-C4'-P energy: -37.533
tors. eta vs tors. theta energy: -72.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -783.136867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.136867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.136867 (E_RNA)
where:
Base-Base interactions energy: -546.653
where: short stacking energy: -216.457
Base-Backbone interact. energy: -3.639
local terms energy: -232.844897
where:
bonds (distance) C4'-P energy: -46.319
bonds (distance) P-C4' energy: -47.254
flat angles C4'-P-C4' energy: -52.366
flat angles P-C4'-P energy: -33.089
tors. eta vs tors. theta energy: -53.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -721.265841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.265841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.265841 (E_RNA)
where:
Base-Base interactions energy: -485.790
where: short stacking energy: -190.130
Base-Backbone interact. energy: -1.900
local terms energy: -233.576419
where:
bonds (distance) C4'-P energy: -45.379
bonds (distance) P-C4' energy: -58.260
flat angles C4'-P-C4' energy: -50.794
flat angles P-C4'-P energy: -39.700
tors. eta vs tors. theta energy: -39.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -712.714946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.714946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.714946 (E_RNA)
where:
Base-Base interactions energy: -480.726
where: short stacking energy: -198.273
Base-Backbone interact. energy: -1.337
local terms energy: -230.651888
where:
bonds (distance) C4'-P energy: -42.479
bonds (distance) P-C4' energy: -48.981
flat angles C4'-P-C4' energy: -51.343
flat angles P-C4'-P energy: -27.557
tors. eta vs tors. theta energy: -60.292
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: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -656.097026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.097026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.097026 (E_RNA)
where:
Base-Base interactions energy: -471.894
where: short stacking energy: -190.665
Base-Backbone interact. energy: -0.150
local terms energy: -184.052381
where:
bonds (distance) C4'-P energy: -33.097
bonds (distance) P-C4' energy: -44.161
flat angles C4'-P-C4' energy: -41.126
flat angles P-C4'-P energy: -37.171
tors. eta vs tors. theta energy: -28.497
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: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -521.032717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.032717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.032717 (E_RNA)
where:
Base-Base interactions energy: -322.493
where: short stacking energy: -151.599
Base-Backbone interact. energy: -0.573
local terms energy: -197.966203
where:
bonds (distance) C4'-P energy: -46.800
bonds (distance) P-C4' energy: -41.690
flat angles C4'-P-C4' energy: -47.508
flat angles P-C4'-P energy: -30.002
tors. eta vs tors. theta energy: -31.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -467.828298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.828298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.828298 (E_RNA)
where:
Base-Base interactions energy: -304.296
where: short stacking energy: -145.337
Base-Backbone interact. energy: -0.971
local terms energy: -162.561692
where:
bonds (distance) C4'-P energy: -42.946
bonds (distance) P-C4' energy: -51.105
flat angles C4'-P-C4' energy: -30.132
flat angles P-C4'-P energy: -14.778
tors. eta vs tors. theta energy: -23.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -980.228348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.228348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.228348 (E_RNA)
where:
Base-Base interactions energy: -696.691
where: short stacking energy: -289.358
Base-Backbone interact. energy: -1.152
local terms energy: -282.385143
where:
bonds (distance) C4'-P energy: -53.429
bonds (distance) P-C4' energy: -60.349
flat angles C4'-P-C4' energy: -53.301
flat angles P-C4'-P energy: -34.889
tors. eta vs tors. theta energy: -80.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -950.554068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.554068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.554068 (E_RNA)
where:
Base-Base interactions energy: -668.151
where: short stacking energy: -272.509
Base-Backbone interact. energy: -1.634
local terms energy: -280.769450
where:
bonds (distance) C4'-P energy: -50.653
bonds (distance) P-C4' energy: -49.345
flat angles C4'-P-C4' energy: -56.985
flat angles P-C4'-P energy: -44.851
tors. eta vs tors. theta energy: -78.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -878.693920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.693920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.693920 (E_RNA)
where:
Base-Base interactions energy: -600.820
where: short stacking energy: -247.194
Base-Backbone interact. energy: -1.785
local terms energy: -276.088227
where:
bonds (distance) C4'-P energy: -53.020
bonds (distance) P-C4' energy: -55.205
flat angles C4'-P-C4' energy: -56.780
flat angles P-C4'-P energy: -41.464
tors. eta vs tors. theta energy: -69.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -861.062342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.062342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.062342 (E_RNA)
where:
Base-Base interactions energy: -618.627
where: short stacking energy: -244.315
Base-Backbone interact. energy: 2.429
local terms energy: -244.864855
where:
bonds (distance) C4'-P energy: -47.160
bonds (distance) P-C4' energy: -50.692
flat angles C4'-P-C4' energy: -56.959
flat angles P-C4'-P energy: -27.245
tors. eta vs tors. theta energy: -62.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -812.190233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.190233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.190233 (E_RNA)
where:
Base-Base interactions energy: -550.115
where: short stacking energy: -231.584
Base-Backbone interact. energy: -0.500
local terms energy: -261.575893
where:
bonds (distance) C4'-P energy: -48.133
bonds (distance) P-C4' energy: -51.868
flat angles C4'-P-C4' energy: -52.939
flat angles P-C4'-P energy: -44.985
tors. eta vs tors. theta energy: -63.651
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: 2
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -718.108677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.108677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.108677 (E_RNA)
where:
Base-Base interactions energy: -477.104
where: short stacking energy: -190.997
Base-Backbone interact. energy: -1.960
local terms energy: -239.044823
where:
bonds (distance) C4'-P energy: -51.219
bonds (distance) P-C4' energy: -56.006
flat angles C4'-P-C4' energy: -55.149
flat angles P-C4'-P energy: -28.757
tors. eta vs tors. theta energy: -47.913
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: 7
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -701.164910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.164910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.164910 (E_RNA)
where:
Base-Base interactions energy: -481.514
where: short stacking energy: -212.111
Base-Backbone interact. energy: -0.257
local terms energy: -219.393957
where:
bonds (distance) C4'-P energy: -46.160
bonds (distance) P-C4' energy: -47.810
flat angles C4'-P-C4' energy: -45.974
flat angles P-C4'-P energy: -27.514
tors. eta vs tors. theta energy: -51.936
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: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -673.118307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.118307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.118307 (E_RNA)
where:
Base-Base interactions energy: -459.411
where: short stacking energy: -186.484
Base-Backbone interact. energy: 4.864
local terms energy: -218.571769
where:
bonds (distance) C4'-P energy: -46.861
bonds (distance) P-C4' energy: -48.935
flat angles C4'-P-C4' energy: -53.180
flat angles P-C4'-P energy: -32.529
tors. eta vs tors. theta energy: -37.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -496.482406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.482406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.482406 (E_RNA)
where:
Base-Base interactions energy: -293.264
where: short stacking energy: -139.368
Base-Backbone interact. energy: 0.763
local terms energy: -203.981366
where:
bonds (distance) C4'-P energy: -43.905
bonds (distance) P-C4' energy: -54.943
flat angles C4'-P-C4' energy: -53.003
flat angles P-C4'-P energy: -27.420
tors. eta vs tors. theta energy: -24.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -516.018829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.018829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.018829 (E_RNA)
where:
Base-Base interactions energy: -321.108
where: short stacking energy: -156.169
Base-Backbone interact. energy: -0.060
local terms energy: -194.850387
where:
bonds (distance) C4'-P energy: -51.586
bonds (distance) P-C4' energy: -48.885
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -32.141
tors. eta vs tors. theta energy: -38.747
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: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -985.633696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.633696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.633696 (E_RNA)
where:
Base-Base interactions energy: -685.824
where: short stacking energy: -290.691
Base-Backbone interact. energy: -0.883
local terms energy: -298.926997
where:
bonds (distance) C4'-P energy: -52.689
bonds (distance) P-C4' energy: -62.714
flat angles C4'-P-C4' energy: -55.212
flat angles P-C4'-P energy: -43.519
tors. eta vs tors. theta energy: -84.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -957.117115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.117115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.117115 (E_RNA)
where:
Base-Base interactions energy: -671.668
where: short stacking energy: -280.421
Base-Backbone interact. energy: -3.282
local terms energy: -282.166609
where:
bonds (distance) C4'-P energy: -51.230
bonds (distance) P-C4' energy: -52.849
flat angles C4'-P-C4' energy: -63.838
flat angles P-C4'-P energy: -34.596
tors. eta vs tors. theta energy: -79.653
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: 6
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -885.364084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.364084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.364084 (E_RNA)
where:
Base-Base interactions energy: -616.798
where: short stacking energy: -257.531
Base-Backbone interact. energy: -1.762
local terms energy: -266.804313
where:
bonds (distance) C4'-P energy: -60.728
bonds (distance) P-C4' energy: -53.862
flat angles C4'-P-C4' energy: -54.098
flat angles P-C4'-P energy: -35.180
tors. eta vs tors. theta energy: -62.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -840.705678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.705678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.705678 (E_RNA)
where:
Base-Base interactions energy: -585.337
where: short stacking energy: -233.374
Base-Backbone interact. energy: -2.309
local terms energy: -253.059511
where:
bonds (distance) C4'-P energy: -45.562
bonds (distance) P-C4' energy: -56.148
flat angles C4'-P-C4' energy: -52.583
flat angles P-C4'-P energy: -47.161
tors. eta vs tors. theta energy: -51.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -773.571056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.571056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.571056 (E_RNA)
where:
Base-Base interactions energy: -519.415
where: short stacking energy: -220.550
Base-Backbone interact. energy: -1.322
local terms energy: -252.834010
where:
bonds (distance) C4'-P energy: -48.012
bonds (distance) P-C4' energy: -47.622
flat angles C4'-P-C4' energy: -43.458
flat angles P-C4'-P energy: -46.625
tors. eta vs tors. theta energy: -67.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -752.777312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.777312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.777312 (E_RNA)
where:
Base-Base interactions energy: -537.415
where: short stacking energy: -201.470
Base-Backbone interact. energy: -2.861
local terms energy: -212.501155
where:
bonds (distance) C4'-P energy: -39.365
bonds (distance) P-C4' energy: -40.285
flat angles C4'-P-C4' energy: -51.995
flat angles P-C4'-P energy: -33.440
tors. eta vs tors. theta energy: -47.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -718.308081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.308081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.308081 (E_RNA)
where:
Base-Base interactions energy: -503.059
where: short stacking energy: -201.796
Base-Backbone interact. energy: 3.047
local terms energy: -218.296333
where:
bonds (distance) C4'-P energy: -31.936
bonds (distance) P-C4' energy: -40.005
flat angles C4'-P-C4' energy: -55.262
flat angles P-C4'-P energy: -35.921
tors. eta vs tors. theta energy: -55.172
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: 9
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -661.366567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.366567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.366567 (E_RNA)
where:
Base-Base interactions energy: -449.336
where: short stacking energy: -185.706
Base-Backbone interact. energy: 2.378
local terms energy: -214.408778
where:
bonds (distance) C4'-P energy: -35.727
bonds (distance) P-C4' energy: -50.153
flat angles C4'-P-C4' energy: -52.514
flat angles P-C4'-P energy: -37.270
tors. eta vs tors. theta energy: -38.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -518.133341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.133341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.133341 (E_RNA)
where:
Base-Base interactions energy: -321.428
where: short stacking energy: -136.905
Base-Backbone interact. energy: -0.678
local terms energy: -196.027460
where:
bonds (distance) C4'-P energy: -41.300
bonds (distance) P-C4' energy: -48.975
flat angles C4'-P-C4' energy: -42.566
flat angles P-C4'-P energy: -30.713
tors. eta vs tors. theta energy: -32.473
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: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -490.827806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.827806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.827806 (E_RNA)
where:
Base-Base interactions energy: -307.147
where: short stacking energy: -141.450
Base-Backbone interact. energy: 0.173
local terms energy: -183.853941
where:
bonds (distance) C4'-P energy: -52.004
bonds (distance) P-C4' energy: -35.635
flat angles C4'-P-C4' energy: -39.603
flat angles P-C4'-P energy: -34.398
tors. eta vs tors. theta energy: -22.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -989.901206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.901206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.901206 (E_RNA)
where:
Base-Base interactions energy: -684.214
where: short stacking energy: -290.875
Base-Backbone interact. energy: -3.744
local terms energy: -301.942402
where:
bonds (distance) C4'-P energy: -52.365
bonds (distance) P-C4' energy: -55.528
flat angles C4'-P-C4' energy: -61.605
flat angles P-C4'-P energy: -41.553
tors. eta vs tors. theta energy: -90.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -963.728288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.728288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.728288 (E_RNA)
where:
Base-Base interactions energy: -683.275
where: short stacking energy: -271.468
Base-Backbone interact. energy: -2.152
local terms energy: -278.301295
where:
bonds (distance) C4'-P energy: -53.880
bonds (distance) P-C4' energy: -57.001
flat angles C4'-P-C4' energy: -55.203
flat angles P-C4'-P energy: -36.762
tors. eta vs tors. theta energy: -75.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -881.847072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.847072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.847072 (E_RNA)
where:
Base-Base interactions energy: -608.563
where: short stacking energy: -269.692
Base-Backbone interact. energy: 1.628
local terms energy: -274.911778
where:
bonds (distance) C4'-P energy: -47.817
bonds (distance) P-C4' energy: -51.011
flat angles C4'-P-C4' energy: -58.986
flat angles P-C4'-P energy: -39.944
tors. eta vs tors. theta energy: -77.155
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: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -879.227989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.227989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.227989 (E_RNA)
where:
Base-Base interactions energy: -606.225
where: short stacking energy: -237.632
Base-Backbone interact. energy: -2.279
local terms energy: -270.724498
where:
bonds (distance) C4'-P energy: -52.012
bonds (distance) P-C4' energy: -49.748
flat angles C4'-P-C4' energy: -61.505
flat angles P-C4'-P energy: -37.534
tors. eta vs tors. theta energy: -69.926
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: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -781.536553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.536553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.536553 (E_RNA)
where:
Base-Base interactions energy: -545.607
where: short stacking energy: -225.172
Base-Backbone interact. energy: -1.868
local terms energy: -234.061744
where:
bonds (distance) C4'-P energy: -44.842
bonds (distance) P-C4' energy: -41.804
flat angles C4'-P-C4' energy: -59.553
flat angles P-C4'-P energy: -29.551
tors. eta vs tors. theta energy: -58.312
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: 7
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -751.752422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.752422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.752422 (E_RNA)
where:
Base-Base interactions energy: -514.724
where: short stacking energy: -227.380
Base-Backbone interact. energy: -0.309
local terms energy: -236.719330
where:
bonds (distance) C4'-P energy: -48.746
bonds (distance) P-C4' energy: -47.220
flat angles C4'-P-C4' energy: -49.210
flat angles P-C4'-P energy: -32.525
tors. eta vs tors. theta energy: -59.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -728.277111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.277111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.277111 (E_RNA)
where:
Base-Base interactions energy: -501.470
where: short stacking energy: -194.215
Base-Backbone interact. energy: -1.923
local terms energy: -224.884349
where:
bonds (distance) C4'-P energy: -44.339
bonds (distance) P-C4' energy: -44.733
flat angles C4'-P-C4' energy: -53.061
flat angles P-C4'-P energy: -31.685
tors. eta vs tors. theta energy: -51.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -635.656541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.656541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.656541 (E_RNA)
where:
Base-Base interactions energy: -424.081
where: short stacking energy: -182.810
Base-Backbone interact. energy: -0.146
local terms energy: -211.429597
where:
bonds (distance) C4'-P energy: -39.138
bonds (distance) P-C4' energy: -54.890
flat angles C4'-P-C4' energy: -50.948
flat angles P-C4'-P energy: -30.324
tors. eta vs tors. theta energy: -36.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -485.590535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.590535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.590535 (E_RNA)
where:
Base-Base interactions energy: -302.102
where: short stacking energy: -139.644
Base-Backbone interact. energy: -0.589
local terms energy: -182.899402
where:
bonds (distance) C4'-P energy: -48.650
bonds (distance) P-C4' energy: -44.909
flat angles C4'-P-C4' energy: -39.182
flat angles P-C4'-P energy: -27.264
tors. eta vs tors. theta energy: -22.894
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: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -532.203156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.203156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.203156 (E_RNA)
where:
Base-Base interactions energy: -361.896
where: short stacking energy: -157.621
Base-Backbone interact. energy: 0.361
local terms energy: -170.667814
where:
bonds (distance) C4'-P energy: -38.547
bonds (distance) P-C4' energy: -29.341
flat angles C4'-P-C4' energy: -43.083
flat angles P-C4'-P energy: -23.205
tors. eta vs tors. theta energy: -36.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -980.220228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.220228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.220228 (E_RNA)
where:
Base-Base interactions energy: -685.858
where: short stacking energy: -286.973
Base-Backbone interact. energy: -0.578
local terms energy: -293.783930
where:
bonds (distance) C4'-P energy: -50.010
bonds (distance) P-C4' energy: -55.651
flat angles C4'-P-C4' energy: -60.531
flat angles P-C4'-P energy: -40.345
tors. eta vs tors. theta energy: -87.248
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: 4
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -943.889427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.889427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.889427 (E_RNA)
where:
Base-Base interactions energy: -663.322
where: short stacking energy: -260.584
Base-Backbone interact. energy: -0.968
local terms energy: -279.600127
where:
bonds (distance) C4'-P energy: -51.540
bonds (distance) P-C4' energy: -56.675
flat angles C4'-P-C4' energy: -54.389
flat angles P-C4'-P energy: -35.837
tors. eta vs tors. theta energy: -81.160
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: 10
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -886.457224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.457224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.457224 (E_RNA)
where:
Base-Base interactions energy: -619.953
where: short stacking energy: -260.712
Base-Backbone interact. energy: -0.623
local terms energy: -265.881676
where:
bonds (distance) C4'-P energy: -47.924
bonds (distance) P-C4' energy: -50.574
flat angles C4'-P-C4' energy: -61.868
flat angles P-C4'-P energy: -33.365
tors. eta vs tors. theta energy: -72.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -855.865417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.865417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.865417 (E_RNA)
where:
Base-Base interactions energy: -581.253
where: short stacking energy: -240.113
Base-Backbone interact. energy: -0.247
local terms energy: -274.364880
where:
bonds (distance) C4'-P energy: -55.913
bonds (distance) P-C4' energy: -56.633
flat angles C4'-P-C4' energy: -55.356
flat angles P-C4'-P energy: -39.008
tors. eta vs tors. theta energy: -67.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -788.859095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.859095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.859095 (E_RNA)
where:
Base-Base interactions energy: -553.294
where: short stacking energy: -232.347
Base-Backbone interact. energy: -0.975
local terms energy: -234.590412
where:
bonds (distance) C4'-P energy: -39.715
bonds (distance) P-C4' energy: -46.599
flat angles C4'-P-C4' energy: -54.434
flat angles P-C4'-P energy: -34.331
tors. eta vs tors. theta energy: -59.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -745.487292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.487292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.487292 (E_RNA)
where:
Base-Base interactions energy: -495.242
where: short stacking energy: -217.604
Base-Backbone interact. energy: -1.133
local terms energy: -249.111701
where:
bonds (distance) C4'-P energy: -47.082
bonds (distance) P-C4' energy: -52.579
flat angles C4'-P-C4' energy: -59.153
flat angles P-C4'-P energy: -38.022
tors. eta vs tors. theta energy: -52.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -721.297981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.297981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.297981 (E_RNA)
where:
Base-Base interactions energy: -517.578
where: short stacking energy: -191.564
Base-Backbone interact. energy: -1.545
local terms energy: -202.175278
where:
bonds (distance) C4'-P energy: -41.672
bonds (distance) P-C4' energy: -43.332
flat angles C4'-P-C4' energy: -50.968
flat angles P-C4'-P energy: -27.719
tors. eta vs tors. theta energy: -38.484
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: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -648.367472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.367472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.367472 (E_RNA)
where:
Base-Base interactions energy: -444.863
where: short stacking energy: -182.599
Base-Backbone interact. energy: -1.953
local terms energy: -201.552299
where:
bonds (distance) C4'-P energy: -38.368
bonds (distance) P-C4' energy: -47.444
flat angles C4'-P-C4' energy: -48.687
flat angles P-C4'-P energy: -28.614
tors. eta vs tors. theta energy: -38.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -565.500929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.500929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.500929 (E_RNA)
where:
Base-Base interactions energy: -378.735
where: short stacking energy: -161.036
Base-Backbone interact. energy: -3.423
local terms energy: -183.342507
where:
bonds (distance) C4'-P energy: -41.207
bonds (distance) P-C4' energy: -39.531
flat angles C4'-P-C4' energy: -39.476
flat angles P-C4'-P energy: -25.754
tors. eta vs tors. theta energy: -37.374
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: 3
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -454.157247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.157247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.157247 (E_RNA)
where:
Base-Base interactions energy: -289.617
where: short stacking energy: -119.844
Base-Backbone interact. energy: 0.452
local terms energy: -164.991899
where:
bonds (distance) C4'-P energy: -37.793
bonds (distance) P-C4' energy: -33.050
flat angles C4'-P-C4' energy: -49.280
flat angles P-C4'-P energy: -33.980
tors. eta vs tors. theta energy: -10.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -955.926857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.926857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.926857 (E_RNA)
where:
Base-Base interactions energy: -668.537
where: short stacking energy: -285.033
Base-Backbone interact. energy: -2.464
local terms energy: -284.925324
where:
bonds (distance) C4'-P energy: -55.741
bonds (distance) P-C4' energy: -43.437
flat angles C4'-P-C4' energy: -59.058
flat angles P-C4'-P energy: -42.405
tors. eta vs tors. theta energy: -84.284
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: 2, replica: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -954.469518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.469518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.469518 (E_RNA)
where:
Base-Base interactions energy: -660.424
where: short stacking energy: -265.620
Base-Backbone interact. energy: -0.566
local terms energy: -293.479493
where:
bonds (distance) C4'-P energy: -55.524
bonds (distance) P-C4' energy: -60.515
flat angles C4'-P-C4' energy: -62.824
flat angles P-C4'-P energy: -39.294
tors. eta vs tors. theta energy: -75.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -901.729561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.729561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.729561 (E_RNA)
where:
Base-Base interactions energy: -633.305
where: short stacking energy: -251.961
Base-Backbone interact. energy: -0.749
local terms energy: -267.675420
where:
bonds (distance) C4'-P energy: -52.888
bonds (distance) P-C4' energy: -60.392
flat angles C4'-P-C4' energy: -47.129
flat angles P-C4'-P energy: -41.448
tors. eta vs tors. theta energy: -65.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -854.242453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.242453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.242453 (E_RNA)
where:
Base-Base interactions energy: -592.319
where: short stacking energy: -250.671
Base-Backbone interact. energy: -1.208
local terms energy: -260.715605
where:
bonds (distance) C4'-P energy: -41.779
bonds (distance) P-C4' energy: -48.036
flat angles C4'-P-C4' energy: -61.366
flat angles P-C4'-P energy: -35.989
tors. eta vs tors. theta energy: -73.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -773.874771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.874771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.874771 (E_RNA)
where:
Base-Base interactions energy: -540.772
where: short stacking energy: -231.625
Base-Backbone interact. energy: -1.205
local terms energy: -231.897817
where:
bonds (distance) C4'-P energy: -41.513
bonds (distance) P-C4' energy: -39.555
flat angles C4'-P-C4' energy: -46.168
flat angles P-C4'-P energy: -45.594
tors. eta vs tors. theta energy: -59.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -748.088539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.088539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.088539 (E_RNA)
where:
Base-Base interactions energy: -516.685
where: short stacking energy: -237.489
Base-Backbone interact. energy: -0.769
local terms energy: -230.634745
where:
bonds (distance) C4'-P energy: -45.707
bonds (distance) P-C4' energy: -36.575
flat angles C4'-P-C4' energy: -56.162
flat angles P-C4'-P energy: -30.230
tors. eta vs tors. theta energy: -61.961
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: 5
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -688.244919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.244919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.244919 (E_RNA)
where:
Base-Base interactions energy: -484.678
where: short stacking energy: -196.327
Base-Backbone interact. energy: -0.988
local terms energy: -202.578645
where:
bonds (distance) C4'-P energy: -41.218
bonds (distance) P-C4' energy: -44.469
flat angles C4'-P-C4' energy: -41.130
flat angles P-C4'-P energy: -32.106
tors. eta vs tors. theta energy: -43.656
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: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -659.086146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.086146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.086146 (E_RNA)
where:
Base-Base interactions energy: -428.633
where: short stacking energy: -174.089
Base-Backbone interact. energy: -6.482
local terms energy: -223.970933
where:
bonds (distance) C4'-P energy: -48.616
bonds (distance) P-C4' energy: -47.788
flat angles C4'-P-C4' energy: -51.412
flat angles P-C4'-P energy: -32.164
tors. eta vs tors. theta energy: -43.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -585.334730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.334730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.334730 (E_RNA)
where:
Base-Base interactions energy: -391.262
where: short stacking energy: -162.902
Base-Backbone interact. energy: 1.405
local terms energy: -195.477513
where:
bonds (distance) C4'-P energy: -48.018
bonds (distance) P-C4' energy: -41.343
flat angles C4'-P-C4' energy: -44.260
flat angles P-C4'-P energy: -33.131
tors. eta vs tors. theta energy: -28.726
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: 10, replica: 3
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -437.001136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.001136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.001136 (E_RNA)
where:
Base-Base interactions energy: -283.900
where: short stacking energy: -142.758
Base-Backbone interact. energy: 0.085
local terms energy: -153.186107
where:
bonds (distance) C4'-P energy: -28.509
bonds (distance) P-C4' energy: -45.556
flat angles C4'-P-C4' energy: -34.922
flat angles P-C4'-P energy: -32.278
tors. eta vs tors. theta energy: -11.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -979.272038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.272038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.272038 (E_RNA)
where:
Base-Base interactions energy: -684.961
where: short stacking energy: -277.493
Base-Backbone interact. energy: -2.488
local terms energy: -291.823475
where:
bonds (distance) C4'-P energy: -57.850
bonds (distance) P-C4' energy: -55.623
flat angles C4'-P-C4' energy: -60.450
flat angles P-C4'-P energy: -38.835
tors. eta vs tors. theta energy: -79.065
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: 4
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -931.924757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.924757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.924757 (E_RNA)
where:
Base-Base interactions energy: -648.242
where: short stacking energy: -270.475
Base-Backbone interact. energy: -2.455
local terms energy: -281.228037
where:
bonds (distance) C4'-P energy: -53.393
bonds (distance) P-C4' energy: -50.715
flat angles C4'-P-C4' energy: -59.543
flat angles P-C4'-P energy: -37.988
tors. eta vs tors. theta energy: -79.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -905.258431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.258431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.258431 (E_RNA)
where:
Base-Base interactions energy: -632.126
where: short stacking energy: -264.722
Base-Backbone interact. energy: -1.428
local terms energy: -271.704440
where:
bonds (distance) C4'-P energy: -46.993
bonds (distance) P-C4' energy: -52.302
flat angles C4'-P-C4' energy: -63.080
flat angles P-C4'-P energy: -35.798
tors. eta vs tors. theta energy: -73.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -848.054683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.054683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.054683 (E_RNA)
where:
Base-Base interactions energy: -587.313
where: short stacking energy: -245.585
Base-Backbone interact. energy: 0.348
local terms energy: -261.089753
where:
bonds (distance) C4'-P energy: -45.128
bonds (distance) P-C4' energy: -49.566
flat angles C4'-P-C4' energy: -59.227
flat angles P-C4'-P energy: -40.118
tors. eta vs tors. theta energy: -67.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -789.670326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.670326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.670326 (E_RNA)
where:
Base-Base interactions energy: -537.579
where: short stacking energy: -245.185
Base-Backbone interact. energy: -1.873
local terms energy: -250.217966
where:
bonds (distance) C4'-P energy: -41.217
bonds (distance) P-C4' energy: -50.246
flat angles C4'-P-C4' energy: -56.364
flat angles P-C4'-P energy: -38.067
tors. eta vs tors. theta energy: -64.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -747.951683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.951683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.951683 (E_RNA)
where:
Base-Base interactions energy: -535.796
where: short stacking energy: -222.234
Base-Backbone interact. energy: 1.143
local terms energy: -213.299031
where:
bonds (distance) C4'-P energy: -31.039
bonds (distance) P-C4' energy: -46.608
flat angles C4'-P-C4' energy: -53.117
flat angles P-C4'-P energy: -33.141
tors. eta vs tors. theta energy: -49.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -743.251282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.251282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.251282 (E_RNA)
where:
Base-Base interactions energy: -508.682
where: short stacking energy: -201.884
Base-Backbone interact. energy: -1.210
local terms energy: -233.359648
where:
bonds (distance) C4'-P energy: -50.629
bonds (distance) P-C4' energy: -44.208
flat angles C4'-P-C4' energy: -53.501
flat angles P-C4'-P energy: -32.071
tors. eta vs tors. theta energy: -52.950
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: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -585.444427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.444427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.444427 (E_RNA)
where:
Base-Base interactions energy: -405.711
where: short stacking energy: -180.166
Base-Backbone interact. energy: 1.943
local terms energy: -181.676415
where:
bonds (distance) C4'-P energy: -32.234
bonds (distance) P-C4' energy: -44.770
flat angles C4'-P-C4' energy: -44.530
flat angles P-C4'-P energy: -33.860
tors. eta vs tors. theta energy: -26.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -532.986291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.986291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.986291 (E_RNA)
where:
Base-Base interactions energy: -339.759
where: short stacking energy: -148.870
Base-Backbone interact. energy: -2.500
local terms energy: -190.727339
where:
bonds (distance) C4'-P energy: -39.457
bonds (distance) P-C4' energy: -42.324
flat angles C4'-P-C4' energy: -42.390
flat angles P-C4'-P energy: -40.604
tors. eta vs tors. theta energy: -25.953
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: 3
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -451.394567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.394567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.394567 (E_RNA)
where:
Base-Base interactions energy: -273.030
where: short stacking energy: -124.306
Base-Backbone interact. energy: -1.698
local terms energy: -176.666639
where:
bonds (distance) C4'-P energy: -33.317
bonds (distance) P-C4' energy: -48.704
flat angles C4'-P-C4' energy: -49.188
flat angles P-C4'-P energy: -37.245
tors. eta vs tors. theta energy: -8.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -971.569595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.569595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.569595 (E_RNA)
where:
Base-Base interactions energy: -679.533
where: short stacking energy: -281.481
Base-Backbone interact. energy: -2.221
local terms energy: -289.815907
where:
bonds (distance) C4'-P energy: -49.356
bonds (distance) P-C4' energy: -49.251
flat angles C4'-P-C4' energy: -63.322
flat angles P-C4'-P energy: -46.746
tors. eta vs tors. theta energy: -81.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -937.624169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.624169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.624169 (E_RNA)
where:
Base-Base interactions energy: -660.572
where: short stacking energy: -272.271
Base-Backbone interact. energy: -1.460
local terms energy: -275.592154
where:
bonds (distance) C4'-P energy: -50.831
bonds (distance) P-C4' energy: -48.702
flat angles C4'-P-C4' energy: -52.506
flat angles P-C4'-P energy: -38.746
tors. eta vs tors. theta energy: -84.807
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: 10
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -888.157259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.157259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.157259 (E_RNA)
where:
Base-Base interactions energy: -624.229
where: short stacking energy: -259.612
Base-Backbone interact. energy: -1.165
local terms energy: -262.763327
where:
bonds (distance) C4'-P energy: -44.291
bonds (distance) P-C4' energy: -54.686
flat angles C4'-P-C4' energy: -60.123
flat angles P-C4'-P energy: -37.202
tors. eta vs tors. theta energy: -66.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -828.729021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.729021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.729021 (E_RNA)
where:
Base-Base interactions energy: -573.649
where: short stacking energy: -241.528
Base-Backbone interact. energy: -1.551
local terms energy: -253.528393
where:
bonds (distance) C4'-P energy: -53.811
bonds (distance) P-C4' energy: -43.605
flat angles C4'-P-C4' energy: -53.230
flat angles P-C4'-P energy: -42.660
tors. eta vs tors. theta energy: -60.223
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: 5, replica: 7
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -800.420710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.420710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.420710 (E_RNA)
where:
Base-Base interactions energy: -563.758
where: short stacking energy: -232.893
Base-Backbone interact. energy: 0.820
local terms energy: -237.482164
where:
bonds (distance) C4'-P energy: -42.936
bonds (distance) P-C4' energy: -52.215
flat angles C4'-P-C4' energy: -52.627
flat angles P-C4'-P energy: -29.423
tors. eta vs tors. theta energy: -60.282
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: 2
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -749.440517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.440517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.440517 (E_RNA)
where:
Base-Base interactions energy: -519.442
where: short stacking energy: -214.588
Base-Backbone interact. energy: -0.937
local terms energy: -229.060739
where:
bonds (distance) C4'-P energy: -46.690
bonds (distance) P-C4' energy: -51.034
flat angles C4'-P-C4' energy: -46.273
flat angles P-C4'-P energy: -30.443
tors. eta vs tors. theta energy: -54.621
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: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -719.798334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.798334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.798334 (E_RNA)
where:
Base-Base interactions energy: -490.706
where: short stacking energy: -199.583
Base-Backbone interact. energy: -1.111
local terms energy: -227.980950
where:
bonds (distance) C4'-P energy: -49.062
bonds (distance) P-C4' energy: -43.607
flat angles C4'-P-C4' energy: -49.597
flat angles P-C4'-P energy: -35.977
tors. eta vs tors. theta energy: -49.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -595.520480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.520480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.520480 (E_RNA)
where:
Base-Base interactions energy: -408.170
where: short stacking energy: -169.909
Base-Backbone interact. energy: -1.478
local terms energy: -185.871968
where:
bonds (distance) C4'-P energy: -48.166
bonds (distance) P-C4' energy: -39.382
flat angles C4'-P-C4' energy: -47.736
flat angles P-C4'-P energy: -23.337
tors. eta vs tors. theta energy: -27.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -541.087379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.087379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.087379 (E_RNA)
where:
Base-Base interactions energy: -351.100
where: short stacking energy: -157.181
Base-Backbone interact. energy: -1.425
local terms energy: -188.562430
where:
bonds (distance) C4'-P energy: -40.032
bonds (distance) P-C4' energy: -47.648
flat angles C4'-P-C4' energy: -31.964
flat angles P-C4'-P energy: -28.768
tors. eta vs tors. theta energy: -40.151
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: 3
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -421.145334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.145334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.145334 (E_RNA)
where:
Base-Base interactions energy: -244.186
where: short stacking energy: -114.623
Base-Backbone interact. energy: 1.465
local terms energy: -178.423710
where:
bonds (distance) C4'-P energy: -41.742
bonds (distance) P-C4' energy: -48.976
flat angles C4'-P-C4' energy: -44.543
flat angles P-C4'-P energy: -32.468
tors. eta vs tors. theta energy: -10.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -967.819889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.819889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.819889 (E_RNA)
where:
Base-Base interactions energy: -672.017
where: short stacking energy: -266.914
Base-Backbone interact. energy: 0.095
local terms energy: -295.898690
where:
bonds (distance) C4'-P energy: -62.042
bonds (distance) P-C4' energy: -57.296
flat angles C4'-P-C4' energy: -58.079
flat angles P-C4'-P energy: -40.984
tors. eta vs tors. theta energy: -77.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -961.076886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.076886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.076886 (E_RNA)
where:
Base-Base interactions energy: -686.252
where: short stacking energy: -268.233
Base-Backbone interact. energy: -2.442
local terms energy: -272.383320
where:
bonds (distance) C4'-P energy: -46.149
bonds (distance) P-C4' energy: -53.656
flat angles C4'-P-C4' energy: -47.763
flat angles P-C4'-P energy: -54.105
tors. eta vs tors. theta energy: -70.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -881.995644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.995644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.995644 (E_RNA)
where:
Base-Base interactions energy: -618.216
where: short stacking energy: -251.317
Base-Backbone interact. energy: -2.972
local terms energy: -260.808045
where:
bonds (distance) C4'-P energy: -46.791
bonds (distance) P-C4' energy: -55.228
flat angles C4'-P-C4' energy: -57.569
flat angles P-C4'-P energy: -35.664
tors. eta vs tors. theta energy: -65.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -841.986081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.986081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.986081 (E_RNA)
where:
Base-Base interactions energy: -585.321
where: short stacking energy: -233.724
Base-Backbone interact. energy: 2.834
local terms energy: -259.498671
where:
bonds (distance) C4'-P energy: -49.749
bonds (distance) P-C4' energy: -49.627
flat angles C4'-P-C4' energy: -46.932
flat angles P-C4'-P energy: -46.739
tors. eta vs tors. theta energy: -66.452
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: 7
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -801.206648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.206648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.206648 (E_RNA)
where:
Base-Base interactions energy: -545.047
where: short stacking energy: -238.343
Base-Backbone interact. energy: 6.273
local terms energy: -262.433097
where:
bonds (distance) C4'-P energy: -50.809
bonds (distance) P-C4' energy: -60.972
flat angles C4'-P-C4' energy: -53.609
flat angles P-C4'-P energy: -30.243
tors. eta vs tors. theta energy: -66.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -751.542691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.542691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.542691 (E_RNA)
where:
Base-Base interactions energy: -513.543
where: short stacking energy: -217.357
Base-Backbone interact. energy: -0.931
local terms energy: -237.068184
where:
bonds (distance) C4'-P energy: -38.943
bonds (distance) P-C4' energy: -52.602
flat angles C4'-P-C4' energy: -53.889
flat angles P-C4'-P energy: -37.141
tors. eta vs tors. theta energy: -54.494
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: 5
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -743.364819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.364819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.364819 (E_RNA)
where:
Base-Base interactions energy: -508.491
where: short stacking energy: -205.292
Base-Backbone interact. energy: -0.787
local terms energy: -234.086275
where:
bonds (distance) C4'-P energy: -38.229
bonds (distance) P-C4' energy: -42.815
flat angles C4'-P-C4' energy: -58.366
flat angles P-C4'-P energy: -40.139
tors. eta vs tors. theta energy: -54.537
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: 9
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -652.802754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.802754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.802754 (E_RNA)
where:
Base-Base interactions energy: -444.726
where: short stacking energy: -175.811
Base-Backbone interact. energy: -0.546
local terms energy: -207.530554
where:
bonds (distance) C4'-P energy: -42.641
bonds (distance) P-C4' energy: -57.262
flat angles C4'-P-C4' energy: -47.078
flat angles P-C4'-P energy: -30.512
tors. eta vs tors. theta energy: -30.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -527.625185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.625185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.625185 (E_RNA)
where:
Base-Base interactions energy: -342.602
where: short stacking energy: -161.641
Base-Backbone interact. energy: -0.816
local terms energy: -184.207737
where:
bonds (distance) C4'-P energy: -41.702
bonds (distance) P-C4' energy: -50.582
flat angles C4'-P-C4' energy: -41.792
flat angles P-C4'-P energy: -18.454
tors. eta vs tors. theta energy: -31.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -470.539863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.539863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.539863 (E_RNA)
where:
Base-Base interactions energy: -328.356
where: short stacking energy: -153.261
Base-Backbone interact. energy: 0.026
local terms energy: -142.210201
where:
bonds (distance) C4'-P energy: -29.887
bonds (distance) P-C4' energy: -37.588
flat angles C4'-P-C4' energy: -38.941
flat angles P-C4'-P energy: -19.734
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -970.823788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.823788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.823788 (E_RNA)
where:
Base-Base interactions energy: -677.000
where: short stacking energy: -268.581
Base-Backbone interact. energy: 1.503
local terms energy: -295.326982
where:
bonds (distance) C4'-P energy: -55.828
bonds (distance) P-C4' energy: -56.959
flat angles C4'-P-C4' energy: -61.994
flat angles P-C4'-P energy: -45.072
tors. eta vs tors. theta energy: -75.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -966.759259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.759259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.759259 (E_RNA)
where:
Base-Base interactions energy: -684.522
where: short stacking energy: -276.596
Base-Backbone interact. energy: -3.659
local terms energy: -278.578546
where:
bonds (distance) C4'-P energy: -53.170
bonds (distance) P-C4' energy: -47.461
flat angles C4'-P-C4' energy: -58.094
flat angles P-C4'-P energy: -40.977
tors. eta vs tors. theta energy: -78.876
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: 10
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -912.799044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.799044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.799044 (E_RNA)
where:
Base-Base interactions energy: -629.563
where: short stacking energy: -264.663
Base-Backbone interact. energy: -3.034
local terms energy: -280.202230
where:
bonds (distance) C4'-P energy: -52.355
bonds (distance) P-C4' energy: -56.656
flat angles C4'-P-C4' energy: -54.943
flat angles P-C4'-P energy: -37.234
tors. eta vs tors. theta energy: -79.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -868.189154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.189154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.189154 (E_RNA)
where:
Base-Base interactions energy: -583.824
where: short stacking energy: -248.956
Base-Backbone interact. energy: 0.181
local terms energy: -284.545782
where:
bonds (distance) C4'-P energy: -57.904
bonds (distance) P-C4' energy: -59.549
flat angles C4'-P-C4' energy: -55.536
flat angles P-C4'-P energy: -38.827
tors. eta vs tors. theta energy: -72.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -781.848439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.848439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.848439 (E_RNA)
where:
Base-Base interactions energy: -515.235
where: short stacking energy: -221.793
Base-Backbone interact. energy: -1.208
local terms energy: -265.405301
where:
bonds (distance) C4'-P energy: -53.765
bonds (distance) P-C4' energy: -57.446
flat angles C4'-P-C4' energy: -54.335
flat angles P-C4'-P energy: -36.473
tors. eta vs tors. theta energy: -63.387
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: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -752.131769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.131769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.131769 (E_RNA)
where:
Base-Base interactions energy: -513.421
where: short stacking energy: -216.165
Base-Backbone interact. energy: -0.604
local terms energy: -238.106500
where:
bonds (distance) C4'-P energy: -38.517
bonds (distance) P-C4' energy: -52.938
flat angles C4'-P-C4' energy: -58.499
flat angles P-C4'-P energy: -28.877
tors. eta vs tors. theta energy: -59.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -727.825242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.825242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.825242 (E_RNA)
where:
Base-Base interactions energy: -500.269
where: short stacking energy: -203.241
Base-Backbone interact. energy: 3.185
local terms energy: -230.741545
where:
bonds (distance) C4'-P energy: -35.854
bonds (distance) P-C4' energy: -53.778
flat angles C4'-P-C4' energy: -62.349
flat angles P-C4'-P energy: -31.461
tors. eta vs tors. theta energy: -47.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -677.948103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.948103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.948103 (E_RNA)
where:
Base-Base interactions energy: -474.891
where: short stacking energy: -193.175
Base-Backbone interact. energy: -1.126
local terms energy: -201.931194
where:
bonds (distance) C4'-P energy: -42.932
bonds (distance) P-C4' energy: -49.501
flat angles C4'-P-C4' energy: -45.994
flat angles P-C4'-P energy: -27.336
tors. eta vs tors. theta energy: -36.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -521.323419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.323419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.323419 (E_RNA)
where:
Base-Base interactions energy: -331.365
where: short stacking energy: -153.294
Base-Backbone interact. energy: -1.180
local terms energy: -188.777671
where:
bonds (distance) C4'-P energy: -44.723
bonds (distance) P-C4' energy: -42.534
flat angles C4'-P-C4' energy: -49.754
flat angles P-C4'-P energy: -14.446
tors. eta vs tors. theta energy: -37.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -474.990672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.990672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.990672 (E_RNA)
where:
Base-Base interactions energy: -311.650
where: short stacking energy: -147.076
Base-Backbone interact. energy: -0.549
local terms energy: -162.792379
where:
bonds (distance) C4'-P energy: -30.335
bonds (distance) P-C4' energy: -42.755
flat angles C4'-P-C4' energy: -39.690
flat angles P-C4'-P energy: -30.949
tors. eta vs tors. theta energy: -19.063
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: 178
Temperature: 0.900000
Total energy: -981.982751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.982751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.982751 (E_RNA)
where:
Base-Base interactions energy: -678.031
where: short stacking energy: -279.968
Base-Backbone interact. energy: -1.359
local terms energy: -302.592585
where:
bonds (distance) C4'-P energy: -53.218
bonds (distance) P-C4' energy: -58.011
flat angles C4'-P-C4' energy: -63.601
flat angles P-C4'-P energy: -48.956
tors. eta vs tors. theta energy: -78.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -946.650266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.650266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.650266 (E_RNA)
where:
Base-Base interactions energy: -663.013
where: short stacking energy: -257.384
Base-Backbone interact. energy: -1.396
local terms energy: -282.241227
where:
bonds (distance) C4'-P energy: -54.257
bonds (distance) P-C4' energy: -54.724
flat angles C4'-P-C4' energy: -55.903
flat angles P-C4'-P energy: -39.576
tors. eta vs tors. theta energy: -77.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -909.815023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.815023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.815023 (E_RNA)
where:
Base-Base interactions energy: -643.055
where: short stacking energy: -272.168
Base-Backbone interact. energy: -1.111
local terms energy: -265.649587
where:
bonds (distance) C4'-P energy: -49.173
bonds (distance) P-C4' energy: -45.384
flat angles C4'-P-C4' energy: -56.129
flat angles P-C4'-P energy: -42.981
tors. eta vs tors. theta energy: -71.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -847.437865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.437865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.437865 (E_RNA)
where:
Base-Base interactions energy: -572.966
where: short stacking energy: -256.282
Base-Backbone interact. energy: 2.087
local terms energy: -276.558869
where:
bonds (distance) C4'-P energy: -48.747
bonds (distance) P-C4' energy: -48.223
flat angles C4'-P-C4' energy: -65.163
flat angles P-C4'-P energy: -40.067
tors. eta vs tors. theta energy: -74.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -790.812524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.812524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.812524 (E_RNA)
where:
Base-Base interactions energy: -530.725
where: short stacking energy: -234.519
Base-Backbone interact. energy: -1.718
local terms energy: -258.370361
where:
bonds (distance) C4'-P energy: -51.081
bonds (distance) P-C4' energy: -57.515
flat angles C4'-P-C4' energy: -62.406
flat angles P-C4'-P energy: -30.662
tors. eta vs tors. theta energy: -56.706
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: 5
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -782.582576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.582576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.582576 (E_RNA)
where:
Base-Base interactions energy: -547.511
where: short stacking energy: -230.969
Base-Backbone interact. energy: -1.131
local terms energy: -233.940571
where:
bonds (distance) C4'-P energy: -41.849
bonds (distance) P-C4' energy: -48.325
flat angles C4'-P-C4' energy: -54.618
flat angles P-C4'-P energy: -35.432
tors. eta vs tors. theta energy: -53.716
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: 7, replica: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -721.118338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.118338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.118338 (E_RNA)
where:
Base-Base interactions energy: -482.961
where: short stacking energy: -189.111
Base-Backbone interact. energy: -1.318
local terms energy: -236.838590
where:
bonds (distance) C4'-P energy: -56.007
bonds (distance) P-C4' energy: -47.846
flat angles C4'-P-C4' energy: -55.073
flat angles P-C4'-P energy: -36.602
tors. eta vs tors. theta energy: -41.311
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: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -656.390150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.390150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.390150 (E_RNA)
where:
Base-Base interactions energy: -456.066
where: short stacking energy: -180.284
Base-Backbone interact. energy: 0.214
local terms energy: -200.538537
where:
bonds (distance) C4'-P energy: -42.944
bonds (distance) P-C4' energy: -50.233
flat angles C4'-P-C4' energy: -41.097
flat angles P-C4'-P energy: -30.721
tors. eta vs tors. theta energy: -35.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -529.029023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.029023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.029023 (E_RNA)
where:
Base-Base interactions energy: -349.370
where: short stacking energy: -154.327
Base-Backbone interact. energy: 1.093
local terms energy: -180.751690
where:
bonds (distance) C4'-P energy: -48.057
bonds (distance) P-C4' energy: -33.546
flat angles C4'-P-C4' energy: -36.894
flat angles P-C4'-P energy: -39.919
tors. eta vs tors. theta energy: -22.336
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: 3
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -416.189979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.189979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.189979 (E_RNA)
where:
Base-Base interactions energy: -231.101
where: short stacking energy: -108.862
Base-Backbone interact. energy: 2.794
local terms energy: -187.882659
where:
bonds (distance) C4'-P energy: -46.076
bonds (distance) P-C4' energy: -50.486
flat angles C4'-P-C4' energy: -38.187
flat angles P-C4'-P energy: -35.286
tors. eta vs tors. theta energy: -17.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -977.173503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.173503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.173503 (E_RNA)
where:
Base-Base interactions energy: -682.038
where: short stacking energy: -284.443
Base-Backbone interact. energy: -1.058
local terms energy: -294.077798
where:
bonds (distance) C4'-P energy: -57.996
bonds (distance) P-C4' energy: -52.454
flat angles C4'-P-C4' energy: -57.794
flat angles P-C4'-P energy: -43.750
tors. eta vs tors. theta energy: -82.084
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: 4
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -949.315480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.315480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.315480 (E_RNA)
where:
Base-Base interactions energy: -673.500
where: short stacking energy: -269.538
Base-Backbone interact. energy: -2.725
local terms energy: -273.090123
where:
bonds (distance) C4'-P energy: -59.046
bonds (distance) P-C4' energy: -48.864
flat angles C4'-P-C4' energy: -55.653
flat angles P-C4'-P energy: -34.026
tors. eta vs tors. theta energy: -75.502
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: 10
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -885.006956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.006956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.006956 (E_RNA)
where:
Base-Base interactions energy: -616.911
where: short stacking energy: -265.188
Base-Backbone interact. energy: -0.740
local terms energy: -267.355775
where:
bonds (distance) C4'-P energy: -53.307
bonds (distance) P-C4' energy: -45.478
flat angles C4'-P-C4' energy: -57.393
flat angles P-C4'-P energy: -44.526
tors. eta vs tors. theta energy: -66.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -849.144256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.144256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.144256 (E_RNA)
where:
Base-Base interactions energy: -583.743
where: short stacking energy: -241.734
Base-Backbone interact. energy: -0.447
local terms energy: -264.953905
where:
bonds (distance) C4'-P energy: -50.288
bonds (distance) P-C4' energy: -52.426
flat angles C4'-P-C4' energy: -50.806
flat angles P-C4'-P energy: -40.836
tors. eta vs tors. theta energy: -70.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -833.861484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.861484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.861484 (E_RNA)
where:
Base-Base interactions energy: -568.874
where: short stacking energy: -247.447
Base-Backbone interact. energy: -1.154
local terms energy: -263.833475
where:
bonds (distance) C4'-P energy: -59.966
bonds (distance) P-C4' energy: -53.650
flat angles C4'-P-C4' energy: -52.765
flat angles P-C4'-P energy: -34.674
tors. eta vs tors. theta energy: -62.779
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: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -747.803895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.803895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.803895 (E_RNA)
where:
Base-Base interactions energy: -502.443
where: short stacking energy: -210.670
Base-Backbone interact. energy: -0.441
local terms energy: -244.919670
where:
bonds (distance) C4'-P energy: -52.092
bonds (distance) P-C4' energy: -48.611
flat angles C4'-P-C4' energy: -54.092
flat angles P-C4'-P energy: -38.719
tors. eta vs tors. theta energy: -51.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -734.128697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.128697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.128697 (E_RNA)
where:
Base-Base interactions energy: -515.906
where: short stacking energy: -215.647
Base-Backbone interact. energy: -1.483
local terms energy: -216.739563
where:
bonds (distance) C4'-P energy: -40.576
bonds (distance) P-C4' energy: -38.574
flat angles C4'-P-C4' energy: -52.949
flat angles P-C4'-P energy: -31.099
tors. eta vs tors. theta energy: -53.542
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: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -666.636973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.636973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.636973 (E_RNA)
where:
Base-Base interactions energy: -438.682
where: short stacking energy: -172.200
Base-Backbone interact. energy: -0.663
local terms energy: -227.291317
where:
bonds (distance) C4'-P energy: -47.909
bonds (distance) P-C4' energy: -43.839
flat angles C4'-P-C4' energy: -61.559
flat angles P-C4'-P energy: -30.032
tors. eta vs tors. theta energy: -43.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -564.364288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.364288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.364288 (E_RNA)
where:
Base-Base interactions energy: -354.561
where: short stacking energy: -167.680
Base-Backbone interact. energy: 1.747
local terms energy: -211.549939
where:
bonds (distance) C4'-P energy: -51.289
bonds (distance) P-C4' energy: -54.551
flat angles C4'-P-C4' energy: -50.099
flat angles P-C4'-P energy: -28.439
tors. eta vs tors. theta energy: -27.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -450.286224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.286224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.286224 (E_RNA)
where:
Base-Base interactions energy: -271.334
where: short stacking energy: -130.764
Base-Backbone interact. energy: 1.863
local terms energy: -180.815196
where:
bonds (distance) C4'-P energy: -37.734
bonds (distance) P-C4' energy: -50.152
flat angles C4'-P-C4' energy: -44.222
flat angles P-C4'-P energy: -29.611
tors. eta vs tors. theta energy: -19.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -966.469263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.469263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.469263 (E_RNA)
where:
Base-Base interactions energy: -689.443
where: short stacking energy: -274.279
Base-Backbone interact. energy: -0.674
local terms energy: -276.351974
where:
bonds (distance) C4'-P energy: -54.828
bonds (distance) P-C4' energy: -53.151
flat angles C4'-P-C4' energy: -50.067
flat angles P-C4'-P energy: -42.135
tors. eta vs tors. theta energy: -76.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -915.776847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.776847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.776847 (E_RNA)
where:
Base-Base interactions energy: -639.748
where: short stacking energy: -246.843
Base-Backbone interact. energy: -2.088
local terms energy: -273.940375
where:
bonds (distance) C4'-P energy: -49.450
bonds (distance) P-C4' energy: -52.913
flat angles C4'-P-C4' energy: -53.475
flat angles P-C4'-P energy: -43.292
tors. eta vs tors. theta energy: -74.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -900.386159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.386159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.386159 (E_RNA)
where:
Base-Base interactions energy: -625.461
where: short stacking energy: -260.526
Base-Backbone interact. energy: -0.381
local terms energy: -274.544271
where:
bonds (distance) C4'-P energy: -55.780
bonds (distance) P-C4' energy: -52.622
flat angles C4'-P-C4' energy: -53.439
flat angles P-C4'-P energy: -39.927
tors. eta vs tors. theta energy: -72.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -853.646314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.646314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.646314 (E_RNA)
where:
Base-Base interactions energy: -576.932
where: short stacking energy: -243.312
Base-Backbone interact. energy: -1.825
local terms energy: -274.889407
where:
bonds (distance) C4'-P energy: -57.689
bonds (distance) P-C4' energy: -47.638
flat angles C4'-P-C4' energy: -64.021
flat angles P-C4'-P energy: -32.091
tors. eta vs tors. theta energy: -73.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -782.056939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.056939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.056939 (E_RNA)
where:
Base-Base interactions energy: -546.173
where: short stacking energy: -242.995
Base-Backbone interact. energy: 1.930
local terms energy: -237.814103
where:
bonds (distance) C4'-P energy: -31.701
bonds (distance) P-C4' energy: -46.416
flat angles C4'-P-C4' energy: -59.152
flat angles P-C4'-P energy: -39.287
tors. eta vs tors. theta energy: -61.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -742.072694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.072694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.072694 (E_RNA)
where:
Base-Base interactions energy: -510.948
where: short stacking energy: -197.959
Base-Backbone interact. energy: -2.451
local terms energy: -228.673400
where:
bonds (distance) C4'-P energy: -52.778
bonds (distance) P-C4' energy: -47.313
flat angles C4'-P-C4' energy: -41.814
flat angles P-C4'-P energy: -34.142
tors. eta vs tors. theta energy: -52.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -727.361469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.361469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.361469 (E_RNA)
where:
Base-Base interactions energy: -511.247
where: short stacking energy: -200.486
Base-Backbone interact. energy: -1.066
local terms energy: -215.049352
where:
bonds (distance) C4'-P energy: -42.245
bonds (distance) P-C4' energy: -50.130
flat angles C4'-P-C4' energy: -54.877
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -55.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -647.745506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.745506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.745506 (E_RNA)
where:
Base-Base interactions energy: -438.971
where: short stacking energy: -173.741
Base-Backbone interact. energy: 0.254
local terms energy: -209.029076
where:
bonds (distance) C4'-P energy: -34.917
bonds (distance) P-C4' energy: -52.225
flat angles C4'-P-C4' energy: -56.560
flat angles P-C4'-P energy: -36.322
tors. eta vs tors. theta energy: -29.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -597.676827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.676827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.676827 (E_RNA)
where:
Base-Base interactions energy: -382.000
where: short stacking energy: -172.339
Base-Backbone interact. energy: 0.105
local terms energy: -215.782163
where:
bonds (distance) C4'-P energy: -48.225
bonds (distance) P-C4' energy: -47.686
flat angles C4'-P-C4' energy: -54.650
flat angles P-C4'-P energy: -32.267
tors. eta vs tors. theta energy: -32.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -505.965302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.965302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.965302 (E_RNA)
where:
Base-Base interactions energy: -316.018
where: short stacking energy: -142.452
Base-Backbone interact. energy: 1.831
local terms energy: -191.778250
where:
bonds (distance) C4'-P energy: -45.998
bonds (distance) P-C4' energy: -42.640
flat angles C4'-P-C4' energy: -45.160
flat angles P-C4'-P energy: -30.851
tors. eta vs tors. theta energy: -27.129
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: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -974.685249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.685249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.685249 (E_RNA)
where:
Base-Base interactions energy: -679.214
where: short stacking energy: -280.467
Base-Backbone interact. energy: 0.157
local terms energy: -295.627741
where:
bonds (distance) C4'-P energy: -57.354
bonds (distance) P-C4' energy: -55.390
flat angles C4'-P-C4' energy: -60.994
flat angles P-C4'-P energy: -40.570
tors. eta vs tors. theta energy: -81.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -959.789185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.789185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.789185 (E_RNA)
where:
Base-Base interactions energy: -677.446
where: short stacking energy: -270.621
Base-Backbone interact. energy: -0.372
local terms energy: -281.971486
where:
bonds (distance) C4'-P energy: -48.861
bonds (distance) P-C4' energy: -53.532
flat angles C4'-P-C4' energy: -59.647
flat angles P-C4'-P energy: -38.979
tors. eta vs tors. theta energy: -80.952
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: 10
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -919.577686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.577686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.577686 (E_RNA)
where:
Base-Base interactions energy: -627.274
where: short stacking energy: -261.442
Base-Backbone interact. energy: -1.988
local terms energy: -290.315622
where:
bonds (distance) C4'-P energy: -57.140
bonds (distance) P-C4' energy: -50.153
flat angles C4'-P-C4' energy: -64.535
flat angles P-C4'-P energy: -46.301
tors. eta vs tors. theta energy: -72.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -857.453757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.453757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.453757 (E_RNA)
where:
Base-Base interactions energy: -582.482
where: short stacking energy: -249.701
Base-Backbone interact. energy: -2.212
local terms energy: -272.759066
where:
bonds (distance) C4'-P energy: -49.282
bonds (distance) P-C4' energy: -51.230
flat angles C4'-P-C4' energy: -54.719
flat angles P-C4'-P energy: -48.306
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: 5, replica: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -744.440189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.440189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.440189 (E_RNA)
where:
Base-Base interactions energy: -500.003
where: short stacking energy: -202.891
Base-Backbone interact. energy: -1.264
local terms energy: -243.173843
where:
bonds (distance) C4'-P energy: -53.458
bonds (distance) P-C4' energy: -48.216
flat angles C4'-P-C4' energy: -53.703
flat angles P-C4'-P energy: -36.997
tors. eta vs tors. theta energy: -50.799
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: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -740.094155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.094155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.094155 (E_RNA)
where:
Base-Base interactions energy: -506.030
where: short stacking energy: -212.514
Base-Backbone interact. energy: -2.314
local terms energy: -231.750376
where:
bonds (distance) C4'-P energy: -48.298
bonds (distance) P-C4' energy: -49.511
flat angles C4'-P-C4' energy: -51.622
flat angles P-C4'-P energy: -23.654
tors. eta vs tors. theta energy: -58.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -749.227385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.227385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.227385 (E_RNA)
where:
Base-Base interactions energy: -538.369
where: short stacking energy: -209.703
Base-Backbone interact. energy: -0.917
local terms energy: -209.941305
where:
bonds (distance) C4'-P energy: -49.321
bonds (distance) P-C4' energy: -45.564
flat angles C4'-P-C4' energy: -41.126
flat angles P-C4'-P energy: -30.762
tors. eta vs tors. theta energy: -43.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -661.893933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.893933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.893933 (E_RNA)
where:
Base-Base interactions energy: -450.746
where: short stacking energy: -187.640
Base-Backbone interact. energy: -0.748
local terms energy: -210.400081
where:
bonds (distance) C4'-P energy: -39.781
bonds (distance) P-C4' energy: -48.186
flat angles C4'-P-C4' energy: -50.616
flat angles P-C4'-P energy: -27.021
tors. eta vs tors. theta energy: -44.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -568.478118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.478118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.478118 (E_RNA)
where:
Base-Base interactions energy: -362.146
where: short stacking energy: -150.019
Base-Backbone interact. energy: -0.904
local terms energy: -205.428092
where:
bonds (distance) C4'-P energy: -53.040
bonds (distance) P-C4' energy: -45.435
flat angles C4'-P-C4' energy: -43.389
flat angles P-C4'-P energy: -30.231
tors. eta vs tors. theta energy: -33.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -514.622794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.622794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.622794 (E_RNA)
where:
Base-Base interactions energy: -329.445
where: short stacking energy: -167.352
Base-Backbone interact. energy: -2.018
local terms energy: -183.159845
where:
bonds (distance) C4'-P energy: -43.403
bonds (distance) P-C4' energy: -41.881
flat angles C4'-P-C4' energy: -41.263
flat angles P-C4'-P energy: -24.634
tors. eta vs tors. theta energy: -31.980
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: 182
Temperature: 0.900000
Total energy: -970.211624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.211624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.211624 (E_RNA)
where:
Base-Base interactions energy: -686.164
where: short stacking energy: -270.713
Base-Backbone interact. energy: -1.592
local terms energy: -282.456159
where:
bonds (distance) C4'-P energy: -52.455
bonds (distance) P-C4' energy: -57.582
flat angles C4'-P-C4' energy: -54.285
flat angles P-C4'-P energy: -42.681
tors. eta vs tors. theta energy: -75.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -944.379385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.379385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.379385 (E_RNA)
where:
Base-Base interactions energy: -660.156
where: short stacking energy: -261.731
Base-Backbone interact. energy: 0.422
local terms energy: -284.645796
where:
bonds (distance) C4'-P energy: -49.919
bonds (distance) P-C4' energy: -51.037
flat angles C4'-P-C4' energy: -58.282
flat angles P-C4'-P energy: -42.406
tors. eta vs tors. theta energy: -83.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -899.986941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.986941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.986941 (E_RNA)
where:
Base-Base interactions energy: -630.908
where: short stacking energy: -253.849
Base-Backbone interact. energy: -1.539
local terms energy: -267.540088
where:
bonds (distance) C4'-P energy: -54.834
bonds (distance) P-C4' energy: -41.473
flat angles C4'-P-C4' energy: -60.187
flat angles P-C4'-P energy: -42.614
tors. eta vs tors. theta energy: -68.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -889.675223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.675223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.675223 (E_RNA)
where:
Base-Base interactions energy: -631.192
where: short stacking energy: -255.835
Base-Backbone interact. energy: -2.152
local terms energy: -256.331034
where:
bonds (distance) C4'-P energy: -54.181
bonds (distance) P-C4' energy: -44.413
flat angles C4'-P-C4' energy: -52.637
flat angles P-C4'-P energy: -36.116
tors. eta vs tors. theta energy: -68.984
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: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -774.561214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.561214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.561214 (E_RNA)
where:
Base-Base interactions energy: -529.635
where: short stacking energy: -227.039
Base-Backbone interact. energy: -0.883
local terms energy: -244.043366
where:
bonds (distance) C4'-P energy: -44.521
bonds (distance) P-C4' energy: -50.333
flat angles C4'-P-C4' energy: -59.963
flat angles P-C4'-P energy: -35.905
tors. eta vs tors. theta energy: -53.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -745.767417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.767417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.767417 (E_RNA)
where:
Base-Base interactions energy: -514.607
where: short stacking energy: -225.428
Base-Backbone interact. energy: -2.279
local terms energy: -228.881959
where:
bonds (distance) C4'-P energy: -41.585
bonds (distance) P-C4' energy: -42.085
flat angles C4'-P-C4' energy: -52.148
flat angles P-C4'-P energy: -33.852
tors. eta vs tors. theta energy: -59.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -739.542584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.542584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.542584 (E_RNA)
where:
Base-Base interactions energy: -505.664
where: short stacking energy: -205.538
Base-Backbone interact. energy: -1.068
local terms energy: -232.811072
where:
bonds (distance) C4'-P energy: -40.329
bonds (distance) P-C4' energy: -51.502
flat angles C4'-P-C4' energy: -50.071
flat angles P-C4'-P energy: -39.340
tors. eta vs tors. theta energy: -51.569
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: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -624.129360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.129360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.129360 (E_RNA)
where:
Base-Base interactions energy: -438.800
where: short stacking energy: -185.859
Base-Backbone interact. energy: -1.446
local terms energy: -183.883303
where:
bonds (distance) C4'-P energy: -40.832
bonds (distance) P-C4' energy: -40.800
flat angles C4'-P-C4' energy: -41.333
flat angles P-C4'-P energy: -32.286
tors. eta vs tors. theta energy: -28.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -555.079184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.079184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.079184 (E_RNA)
where:
Base-Base interactions energy: -358.847
where: short stacking energy: -163.365
Base-Backbone interact. energy: -0.604
local terms energy: -195.628637
where:
bonds (distance) C4'-P energy: -37.956
bonds (distance) P-C4' energy: -47.942
flat angles C4'-P-C4' energy: -48.415
flat angles P-C4'-P energy: -32.198
tors. eta vs tors. theta energy: -29.118
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: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -493.263751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.263751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.263751 (E_RNA)
where:
Base-Base interactions energy: -293.586
where: short stacking energy: -131.737
Base-Backbone interact. energy: -0.658
local terms energy: -199.018934
where:
bonds (distance) C4'-P energy: -47.430
bonds (distance) P-C4' energy: -46.283
flat angles C4'-P-C4' energy: -43.920
flat angles P-C4'-P energy: -32.984
tors. eta vs tors. theta energy: -28.401
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: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -971.340043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.340043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.340043 (E_RNA)
where:
Base-Base interactions energy: -683.416
where: short stacking energy: -269.112
Base-Backbone interact. energy: -1.875
local terms energy: -286.049407
where:
bonds (distance) C4'-P energy: -42.723
bonds (distance) P-C4' energy: -55.450
flat angles C4'-P-C4' energy: -61.502
flat angles P-C4'-P energy: -42.232
tors. eta vs tors. theta energy: -84.142
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: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -959.897707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.897707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.897707 (E_RNA)
where:
Base-Base interactions energy: -668.755
where: short stacking energy: -277.325
Base-Backbone interact. energy: -2.877
local terms energy: -288.265671
where:
bonds (distance) C4'-P energy: -54.495
bonds (distance) P-C4' energy: -46.247
flat angles C4'-P-C4' energy: -63.246
flat angles P-C4'-P energy: -39.001
tors. eta vs tors. theta energy: -85.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -893.959237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.959237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.959237 (E_RNA)
where:
Base-Base interactions energy: -630.634
where: short stacking energy: -251.041
Base-Backbone interact. energy: -2.217
local terms energy: -261.108057
where:
bonds (distance) C4'-P energy: -50.388
bonds (distance) P-C4' energy: -55.498
flat angles C4'-P-C4' energy: -48.305
flat angles P-C4'-P energy: -35.998
tors. eta vs tors. theta energy: -70.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -894.779981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.779981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.779981 (E_RNA)
where:
Base-Base interactions energy: -634.895
where: short stacking energy: -252.504
Base-Backbone interact. energy: 1.156
local terms energy: -261.041031
where:
bonds (distance) C4'-P energy: -47.779
bonds (distance) P-C4' energy: -45.127
flat angles C4'-P-C4' energy: -56.388
flat angles P-C4'-P energy: -39.546
tors. eta vs tors. theta energy: -72.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -781.075556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.075556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.075556 (E_RNA)
where:
Base-Base interactions energy: -542.280
where: short stacking energy: -239.450
Base-Backbone interact. energy: -0.723
local terms energy: -238.072618
where:
bonds (distance) C4'-P energy: -45.910
bonds (distance) P-C4' energy: -40.069
flat angles C4'-P-C4' energy: -53.996
flat angles P-C4'-P energy: -39.342
tors. eta vs tors. theta energy: -58.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -740.218453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.218453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.218453 (E_RNA)
where:
Base-Base interactions energy: -502.234
where: short stacking energy: -208.075
Base-Backbone interact. energy: -2.038
local terms energy: -235.946341
where:
bonds (distance) C4'-P energy: -49.705
bonds (distance) P-C4' energy: -51.207
flat angles C4'-P-C4' energy: -52.822
flat angles P-C4'-P energy: -34.598
tors. eta vs tors. theta energy: -47.614
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: 7, replica: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -705.601374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.601374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.601374 (E_RNA)
where:
Base-Base interactions energy: -481.416
where: short stacking energy: -192.881
Base-Backbone interact. energy: -1.224
local terms energy: -222.961503
where:
bonds (distance) C4'-P energy: -48.041
bonds (distance) P-C4' energy: -47.944
flat angles C4'-P-C4' energy: -53.846
flat angles P-C4'-P energy: -20.713
tors. eta vs tors. theta energy: -52.417
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: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -610.515559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.515559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.515559 (E_RNA)
where:
Base-Base interactions energy: -412.907
where: short stacking energy: -183.698
Base-Backbone interact. energy: -0.051
local terms energy: -197.557737
where:
bonds (distance) C4'-P energy: -37.905
bonds (distance) P-C4' energy: -51.165
flat angles C4'-P-C4' energy: -43.025
flat angles P-C4'-P energy: -29.656
tors. eta vs tors. theta energy: -35.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -597.575973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.575973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.575973 (E_RNA)
where:
Base-Base interactions energy: -392.478
where: short stacking energy: -150.933
Base-Backbone interact. energy: -2.308
local terms energy: -202.789497
where:
bonds (distance) C4'-P energy: -48.444
bonds (distance) P-C4' energy: -48.068
flat angles C4'-P-C4' energy: -45.975
flat angles P-C4'-P energy: -30.866
tors. eta vs tors. theta energy: -29.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -484.299421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.299421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.299421 (E_RNA)
where:
Base-Base interactions energy: -305.918
where: short stacking energy: -149.514
Base-Backbone interact. energy: -0.965
local terms energy: -177.417232
where:
bonds (distance) C4'-P energy: -45.368
bonds (distance) P-C4' energy: -46.256
flat angles C4'-P-C4' energy: -33.990
flat angles P-C4'-P energy: -23.051
tors. eta vs tors. theta energy: -28.752
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: 4
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -976.533936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.533936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.533936 (E_RNA)
where:
Base-Base interactions energy: -672.601
where: short stacking energy: -280.830
Base-Backbone interact. energy: 1.126
local terms energy: -305.059485
where:
bonds (distance) C4'-P energy: -54.853
bonds (distance) P-C4' energy: -55.067
flat angles C4'-P-C4' energy: -61.930
flat angles P-C4'-P energy: -47.583
tors. eta vs tors. theta energy: -85.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -946.919095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.919095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.919095 (E_RNA)
where:
Base-Base interactions energy: -662.779
where: short stacking energy: -268.981
Base-Backbone interact. energy: -0.179
local terms energy: -283.961503
where:
bonds (distance) C4'-P energy: -55.282
bonds (distance) P-C4' energy: -54.171
flat angles C4'-P-C4' energy: -51.900
flat angles P-C4'-P energy: -43.551
tors. eta vs tors. theta energy: -79.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -914.910649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.910649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.910649 (E_RNA)
where:
Base-Base interactions energy: -649.141
where: short stacking energy: -252.671
Base-Backbone interact. energy: -0.697
local terms energy: -265.072686
where:
bonds (distance) C4'-P energy: -48.607
bonds (distance) P-C4' energy: -52.149
flat angles C4'-P-C4' energy: -55.485
flat angles P-C4'-P energy: -38.224
tors. eta vs tors. theta energy: -70.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -843.953984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.953984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.953984 (E_RNA)
where:
Base-Base interactions energy: -572.464
where: short stacking energy: -244.064
Base-Backbone interact. energy: -0.881
local terms energy: -270.608978
where:
bonds (distance) C4'-P energy: -57.628
bonds (distance) P-C4' energy: -49.297
flat angles C4'-P-C4' energy: -53.442
flat angles P-C4'-P energy: -43.820
tors. eta vs tors. theta energy: -66.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -782.071021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.071021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.071021 (E_RNA)
where:
Base-Base interactions energy: -539.913
where: short stacking energy: -240.327
Base-Backbone interact. energy: -0.177
local terms energy: -241.981042
where:
bonds (distance) C4'-P energy: -47.997
bonds (distance) P-C4' energy: -43.771
flat angles C4'-P-C4' energy: -53.609
flat angles P-C4'-P energy: -32.560
tors. eta vs tors. theta energy: -64.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -757.626796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.626796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.626796 (E_RNA)
where:
Base-Base interactions energy: -546.026
where: short stacking energy: -207.373
Base-Backbone interact. energy: 5.969
local terms energy: -217.569609
where:
bonds (distance) C4'-P energy: -35.242
bonds (distance) P-C4' energy: -48.962
flat angles C4'-P-C4' energy: -53.644
flat angles P-C4'-P energy: -32.852
tors. eta vs tors. theta energy: -46.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -721.674343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.674343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.674343 (E_RNA)
where:
Base-Base interactions energy: -490.453
where: short stacking energy: -205.077
Base-Backbone interact. energy: -0.483
local terms energy: -230.738946
where:
bonds (distance) C4'-P energy: -40.596
bonds (distance) P-C4' energy: -47.213
flat angles C4'-P-C4' energy: -54.767
flat angles P-C4'-P energy: -31.985
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: 8, replica: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -649.507429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.507429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.507429 (E_RNA)
where:
Base-Base interactions energy: -434.401
where: short stacking energy: -195.183
Base-Backbone interact. energy: 0.165
local terms energy: -215.271334
where:
bonds (distance) C4'-P energy: -42.198
bonds (distance) P-C4' energy: -44.461
flat angles C4'-P-C4' energy: -44.394
flat angles P-C4'-P energy: -29.472
tors. eta vs tors. theta energy: -54.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -611.287645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.287645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.287645 (E_RNA)
where:
Base-Base interactions energy: -407.863
where: short stacking energy: -164.969
Base-Backbone interact. energy: -1.280
local terms energy: -202.144297
where:
bonds (distance) C4'-P energy: -46.647
bonds (distance) P-C4' energy: -48.202
flat angles C4'-P-C4' energy: -49.892
flat angles P-C4'-P energy: -25.387
tors. eta vs tors. theta energy: -32.017
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: 3
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -466.338047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.338047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.338047 (E_RNA)
where:
Base-Base interactions energy: -291.420
where: short stacking energy: -120.906
Base-Backbone interact. energy: 0.079
local terms energy: -174.997161
where:
bonds (distance) C4'-P energy: -51.352
bonds (distance) P-C4' energy: -38.203
flat angles C4'-P-C4' energy: -34.695
flat angles P-C4'-P energy: -20.990
tors. eta vs tors. theta energy: -29.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -969.678315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.678315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.678315 (E_RNA)
where:
Base-Base interactions energy: -690.285
where: short stacking energy: -269.615
Base-Backbone interact. energy: -2.817
local terms energy: -276.576575
where:
bonds (distance) C4'-P energy: -40.994
bonds (distance) P-C4' energy: -55.392
flat angles C4'-P-C4' energy: -57.897
flat angles P-C4'-P energy: -45.810
tors. eta vs tors. theta energy: -76.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -947.814691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.814691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.814691 (E_RNA)
where:
Base-Base interactions energy: -674.316
where: short stacking energy: -265.629
Base-Backbone interact. energy: -1.195
local terms energy: -272.303445
where:
bonds (distance) C4'-P energy: -51.549
bonds (distance) P-C4' energy: -59.276
flat angles C4'-P-C4' energy: -54.095
flat angles P-C4'-P energy: -32.286
tors. eta vs tors. theta energy: -75.097
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: 10
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -915.933286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.933286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.933286 (E_RNA)
where:
Base-Base interactions energy: -635.942
where: short stacking energy: -273.081
Base-Backbone interact. energy: -1.509
local terms energy: -278.481797
where:
bonds (distance) C4'-P energy: -55.711
bonds (distance) P-C4' energy: -50.200
flat angles C4'-P-C4' energy: -58.352
flat angles P-C4'-P energy: -40.492
tors. eta vs tors. theta energy: -73.727
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: 6
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -854.256922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.256922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.256922 (E_RNA)
where:
Base-Base interactions energy: -587.016
where: short stacking energy: -237.427
Base-Backbone interact. energy: -0.812
local terms energy: -266.428856
where:
bonds (distance) C4'-P energy: -55.273
bonds (distance) P-C4' energy: -48.388
flat angles C4'-P-C4' energy: -55.499
flat angles P-C4'-P energy: -34.720
tors. eta vs tors. theta energy: -72.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -762.815385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.815385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.815385 (E_RNA)
where:
Base-Base interactions energy: -515.733
where: short stacking energy: -220.453
Base-Backbone interact. energy: -0.416
local terms energy: -246.666470
where:
bonds (distance) C4'-P energy: -52.603
bonds (distance) P-C4' energy: -53.604
flat angles C4'-P-C4' energy: -58.881
flat angles P-C4'-P energy: -28.852
tors. eta vs tors. theta energy: -52.728
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: 5
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -799.815681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.815681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.815681 (E_RNA)
where:
Base-Base interactions energy: -573.737
where: short stacking energy: -224.093
Base-Backbone interact. energy: -0.698
local terms energy: -225.380212
where:
bonds (distance) C4'-P energy: -43.305
bonds (distance) P-C4' energy: -49.066
flat angles C4'-P-C4' energy: -42.598
flat angles P-C4'-P energy: -38.426
tors. eta vs tors. theta energy: -51.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -733.676494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.676494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.676494 (E_RNA)
where:
Base-Base interactions energy: -514.243
where: short stacking energy: -217.255
Base-Backbone interact. energy: -0.333
local terms energy: -219.101102
where:
bonds (distance) C4'-P energy: -48.482
bonds (distance) P-C4' energy: -47.012
flat angles C4'-P-C4' energy: -50.564
flat angles P-C4'-P energy: -22.516
tors. eta vs tors. theta energy: -50.528
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: 9
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -650.578553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.578553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.578553 (E_RNA)
where:
Base-Base interactions energy: -450.961
where: short stacking energy: -178.712
Base-Backbone interact. energy: -0.611
local terms energy: -199.007371
where:
bonds (distance) C4'-P energy: -38.985
bonds (distance) P-C4' energy: -45.236
flat angles C4'-P-C4' energy: -46.914
flat angles P-C4'-P energy: -33.215
tors. eta vs tors. theta energy: -34.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -618.446367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.446367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.446367 (E_RNA)
where:
Base-Base interactions energy: -417.284
where: short stacking energy: -185.576
Base-Backbone interact. energy: -1.631
local terms energy: -199.532322
where:
bonds (distance) C4'-P energy: -37.841
bonds (distance) P-C4' energy: -41.262
flat angles C4'-P-C4' energy: -46.940
flat angles P-C4'-P energy: -21.009
tors. eta vs tors. theta energy: -52.480
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: 3
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -489.541022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.541022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.541022 (E_RNA)
where:
Base-Base interactions energy: -304.508
where: short stacking energy: -138.927
Base-Backbone interact. energy: -1.549
local terms energy: -183.483976
where:
bonds (distance) C4'-P energy: -48.589
bonds (distance) P-C4' energy: -40.225
flat angles C4'-P-C4' energy: -47.310
flat angles P-C4'-P energy: -15.864
tors. eta vs tors. theta energy: -31.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -976.153934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.153934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.153934 (E_RNA)
where:
Base-Base interactions energy: -686.619
where: short stacking energy: -260.405
Base-Backbone interact. energy: -0.810
local terms energy: -288.724600
where:
bonds (distance) C4'-P energy: -43.440
bonds (distance) P-C4' energy: -56.660
flat angles C4'-P-C4' energy: -60.373
flat angles P-C4'-P energy: -46.019
tors. eta vs tors. theta energy: -82.233
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: 186
Temperature: 0.950000
Total energy: -951.989700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.989700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.989700 (E_RNA)
where:
Base-Base interactions energy: -664.179
where: short stacking energy: -266.263
Base-Backbone interact. energy: -1.500
local terms energy: -286.311169
where:
bonds (distance) C4'-P energy: -51.209
bonds (distance) P-C4' energy: -50.985
flat angles C4'-P-C4' energy: -59.871
flat angles P-C4'-P energy: -46.805
tors. eta vs tors. theta energy: -77.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -907.686321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.686321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.686321 (E_RNA)
where:
Base-Base interactions energy: -637.203
where: short stacking energy: -269.765
Base-Backbone interact. energy: 0.742
local terms energy: -271.225564
where:
bonds (distance) C4'-P energy: -51.608
bonds (distance) P-C4' energy: -47.391
flat angles C4'-P-C4' energy: -57.967
flat angles P-C4'-P energy: -35.580
tors. eta vs tors. theta energy: -78.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -853.989303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.989303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.989303 (E_RNA)
where:
Base-Base interactions energy: -597.826
where: short stacking energy: -233.423
Base-Backbone interact. energy: -1.654
local terms energy: -254.508552
where:
bonds (distance) C4'-P energy: -46.988
bonds (distance) P-C4' energy: -50.024
flat angles C4'-P-C4' energy: -57.471
flat angles P-C4'-P energy: -35.876
tors. eta vs tors. theta energy: -64.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -824.471414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.471414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.471414 (E_RNA)
where:
Base-Base interactions energy: -576.242
where: short stacking energy: -208.607
Base-Backbone interact. energy: -1.049
local terms energy: -247.180491
where:
bonds (distance) C4'-P energy: -49.209
bonds (distance) P-C4' energy: -56.534
flat angles C4'-P-C4' energy: -41.797
flat angles P-C4'-P energy: -40.083
tors. eta vs tors. theta energy: -59.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -799.276647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.276647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.276647 (E_RNA)
where:
Base-Base interactions energy: -540.382
where: short stacking energy: -213.956
Base-Backbone interact. energy: -1.581
local terms energy: -257.313379
where:
bonds (distance) C4'-P energy: -51.667
bonds (distance) P-C4' energy: -54.016
flat angles C4'-P-C4' energy: -53.800
flat angles P-C4'-P energy: -35.192
tors. eta vs tors. theta energy: -62.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -735.386343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.386343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.386343 (E_RNA)
where:
Base-Base interactions energy: -506.284
where: short stacking energy: -224.155
Base-Backbone interact. energy: -2.099
local terms energy: -227.003380
where:
bonds (distance) C4'-P energy: -43.308
bonds (distance) P-C4' energy: -48.556
flat angles C4'-P-C4' energy: -52.652
flat angles P-C4'-P energy: -28.411
tors. eta vs tors. theta energy: -54.077
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: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -612.215275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.215275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.215275 (E_RNA)
where:
Base-Base interactions energy: -397.159
where: short stacking energy: -162.726
Base-Backbone interact. energy: -1.435
local terms energy: -213.621949
where:
bonds (distance) C4'-P energy: -45.114
bonds (distance) P-C4' energy: -50.411
flat angles C4'-P-C4' energy: -53.308
flat angles P-C4'-P energy: -30.906
tors. eta vs tors. theta energy: -33.883
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: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -600.885277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.885277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.885277 (E_RNA)
where:
Base-Base interactions energy: -395.568
where: short stacking energy: -170.614
Base-Backbone interact. energy: -0.696
local terms energy: -204.622189
where:
bonds (distance) C4'-P energy: -47.785
bonds (distance) P-C4' energy: -46.790
flat angles C4'-P-C4' energy: -44.213
flat angles P-C4'-P energy: -27.465
tors. eta vs tors. theta energy: -38.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -513.296226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.296226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.296226 (E_RNA)
where:
Base-Base interactions energy: -335.477
where: short stacking energy: -154.417
Base-Backbone interact. energy: -1.174
local terms energy: -176.645211
where:
bonds (distance) C4'-P energy: -33.306
bonds (distance) P-C4' energy: -46.202
flat angles C4'-P-C4' energy: -45.840
flat angles P-C4'-P energy: -24.917
tors. eta vs tors. theta energy: -26.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -968.357168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.357168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.357168 (E_RNA)
where:
Base-Base interactions energy: -676.441
where: short stacking energy: -273.688
Base-Backbone interact. energy: -1.291
local terms energy: -290.625260
where:
bonds (distance) C4'-P energy: -53.352
bonds (distance) P-C4' energy: -54.646
flat angles C4'-P-C4' energy: -65.116
flat angles P-C4'-P energy: -41.454
tors. eta vs tors. theta energy: -76.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -950.524475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.524475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.524475 (E_RNA)
where:
Base-Base interactions energy: -682.717
where: short stacking energy: -261.925
Base-Backbone interact. energy: -0.674
local terms energy: -267.133781
where:
bonds (distance) C4'-P energy: -45.105
bonds (distance) P-C4' energy: -55.502
flat angles C4'-P-C4' energy: -60.441
flat angles P-C4'-P energy: -34.177
tors. eta vs tors. theta energy: -71.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -933.432730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.432730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.432730 (E_RNA)
where:
Base-Base interactions energy: -651.887
where: short stacking energy: -259.248
Base-Backbone interact. energy: -1.980
local terms energy: -279.565281
where:
bonds (distance) C4'-P energy: -51.663
bonds (distance) P-C4' energy: -60.196
flat angles C4'-P-C4' energy: -56.498
flat angles P-C4'-P energy: -33.478
tors. eta vs tors. theta energy: -77.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -863.905019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.905019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.905019 (E_RNA)
where:
Base-Base interactions energy: -606.011
where: short stacking energy: -253.718
Base-Backbone interact. energy: 1.257
local terms energy: -259.150835
where:
bonds (distance) C4'-P energy: -41.884
bonds (distance) P-C4' energy: -50.213
flat angles C4'-P-C4' energy: -62.530
flat angles P-C4'-P energy: -42.289
tors. eta vs tors. theta energy: -62.236
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: 187
Temperature: 1.100000
Total energy: -828.707033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.707033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.707033 (E_RNA)
where:
Base-Base interactions energy: -598.093
where: short stacking energy: -240.459
Base-Backbone interact. energy: -1.328
local terms energy: -229.285682
where:
bonds (distance) C4'-P energy: -38.714
bonds (distance) P-C4' energy: -44.909
flat angles C4'-P-C4' energy: -46.473
flat angles P-C4'-P energy: -34.135
tors. eta vs tors. theta energy: -65.055
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: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -788.991296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.991296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.991296 (E_RNA)
where:
Base-Base interactions energy: -550.579
where: short stacking energy: -223.736
Base-Backbone interact. energy: -1.360
local terms energy: -237.051607
where:
bonds (distance) C4'-P energy: -40.398
bonds (distance) P-C4' energy: -48.362
flat angles C4'-P-C4' energy: -51.720
flat angles P-C4'-P energy: -41.261
tors. eta vs tors. theta energy: -55.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -714.872740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.872740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.872740 (E_RNA)
where:
Base-Base interactions energy: -499.600
where: short stacking energy: -216.818
Base-Backbone interact. energy: -0.724
local terms energy: -214.549000
where:
bonds (distance) C4'-P energy: -42.167
bonds (distance) P-C4' energy: -39.342
flat angles C4'-P-C4' energy: -54.393
flat angles P-C4'-P energy: -25.384
tors. eta vs tors. theta energy: -53.263
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: 8, replica: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -633.716663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.716663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.716663 (E_RNA)
where:
Base-Base interactions energy: -404.062
where: short stacking energy: -178.958
Base-Backbone interact. energy: 0.043
local terms energy: -229.697925
where:
bonds (distance) C4'-P energy: -46.157
bonds (distance) P-C4' energy: -41.278
flat angles C4'-P-C4' energy: -52.360
flat angles P-C4'-P energy: -45.817
tors. eta vs tors. theta energy: -44.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -577.433576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.433576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.433576 (E_RNA)
where:
Base-Base interactions energy: -394.628
where: short stacking energy: -153.186
Base-Backbone interact. energy: -2.350
local terms energy: -180.456164
where:
bonds (distance) C4'-P energy: -45.185
bonds (distance) P-C4' energy: -42.182
flat angles C4'-P-C4' energy: -47.094
flat angles P-C4'-P energy: -24.199
tors. eta vs tors. theta energy: -21.797
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: 3
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -495.374621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.374621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.374621 (E_RNA)
where:
Base-Base interactions energy: -325.237
where: short stacking energy: -138.963
Base-Backbone interact. energy: -0.163
local terms energy: -169.974303
where:
bonds (distance) C4'-P energy: -40.339
bonds (distance) P-C4' energy: -35.697
flat angles C4'-P-C4' energy: -44.179
flat angles P-C4'-P energy: -26.433
tors. eta vs tors. theta energy: -23.326
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: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -982.288391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.288391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.288391 (E_RNA)
where:
Base-Base interactions energy: -683.450
where: short stacking energy: -278.457
Base-Backbone interact. energy: -1.692
local terms energy: -297.145878
where:
bonds (distance) C4'-P energy: -52.248
bonds (distance) P-C4' energy: -48.932
flat angles C4'-P-C4' energy: -63.892
flat angles P-C4'-P energy: -49.126
tors. eta vs tors. theta energy: -82.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -949.089067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.089067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.089067 (E_RNA)
where:
Base-Base interactions energy: -669.382
where: short stacking energy: -262.953
Base-Backbone interact. energy: -0.845
local terms energy: -278.862362
where:
bonds (distance) C4'-P energy: -44.202
bonds (distance) P-C4' energy: -54.705
flat angles C4'-P-C4' energy: -56.229
flat angles P-C4'-P energy: -49.578
tors. eta vs tors. theta energy: -74.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -928.069268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.069268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.069268 (E_RNA)
where:
Base-Base interactions energy: -647.523
where: short stacking energy: -272.153
Base-Backbone interact. energy: -1.831
local terms energy: -278.715215
where:
bonds (distance) C4'-P energy: -52.762
bonds (distance) P-C4' energy: -48.294
flat angles C4'-P-C4' energy: -61.366
flat angles P-C4'-P energy: -37.127
tors. eta vs tors. theta energy: -79.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -859.934477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.934477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.934477 (E_RNA)
where:
Base-Base interactions energy: -603.001
where: short stacking energy: -246.509
Base-Backbone interact. energy: -3.643
local terms energy: -253.290933
where:
bonds (distance) C4'-P energy: -56.348
bonds (distance) P-C4' energy: -34.927
flat angles C4'-P-C4' energy: -58.127
flat angles P-C4'-P energy: -41.931
tors. eta vs tors. theta energy: -61.957
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: 6
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -796.787701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.787701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.787701 (E_RNA)
where:
Base-Base interactions energy: -558.718
where: short stacking energy: -232.624
Base-Backbone interact. energy: -0.648
local terms energy: -237.422534
where:
bonds (distance) C4'-P energy: -37.500
bonds (distance) P-C4' energy: -46.683
flat angles C4'-P-C4' energy: -56.389
flat angles P-C4'-P energy: -38.308
tors. eta vs tors. theta energy: -58.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -797.377697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.377697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.377697 (E_RNA)
where:
Base-Base interactions energy: -575.180
where: short stacking energy: -236.186
Base-Backbone interact. energy: -1.002
local terms energy: -221.195724
where:
bonds (distance) C4'-P energy: -36.138
bonds (distance) P-C4' energy: -44.098
flat angles C4'-P-C4' energy: -51.229
flat angles P-C4'-P energy: -35.453
tors. eta vs tors. theta energy: -54.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -717.865976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.865976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.865976 (E_RNA)
where:
Base-Base interactions energy: -493.795
where: short stacking energy: -210.629
Base-Backbone interact. energy: -2.419
local terms energy: -221.652325
where:
bonds (distance) C4'-P energy: -40.532
bonds (distance) P-C4' energy: -47.397
flat angles C4'-P-C4' energy: -48.788
flat angles P-C4'-P energy: -34.567
tors. eta vs tors. theta energy: -50.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -647.504445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.504445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.504445 (E_RNA)
where:
Base-Base interactions energy: -428.200
where: short stacking energy: -200.129
Base-Backbone interact. energy: -0.730
local terms energy: -218.574450
where:
bonds (distance) C4'-P energy: -36.454
bonds (distance) P-C4' energy: -45.694
flat angles C4'-P-C4' energy: -55.958
flat angles P-C4'-P energy: -30.695
tors. eta vs tors. theta energy: -49.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -582.882968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.882968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.882968 (E_RNA)
where:
Base-Base interactions energy: -384.006
where: short stacking energy: -156.843
Base-Backbone interact. energy: -1.064
local terms energy: -197.812505
where:
bonds (distance) C4'-P energy: -45.267
bonds (distance) P-C4' energy: -50.442
flat angles C4'-P-C4' energy: -34.461
flat angles P-C4'-P energy: -36.355
tors. eta vs tors. theta energy: -31.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -488.135739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.135739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.135739 (E_RNA)
where:
Base-Base interactions energy: -320.786
where: short stacking energy: -150.113
Base-Backbone interact. energy: -1.276
local terms energy: -166.074199
where:
bonds (distance) C4'-P energy: -36.253
bonds (distance) P-C4' energy: -37.787
flat angles C4'-P-C4' energy: -37.403
flat angles P-C4'-P energy: -25.957
tors. eta vs tors. theta energy: -28.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -978.751864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.751864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.751864 (E_RNA)
where:
Base-Base interactions energy: -686.831
where: short stacking energy: -285.833
Base-Backbone interact. energy: -2.494
local terms energy: -289.426558
where:
bonds (distance) C4'-P energy: -50.267
bonds (distance) P-C4' energy: -49.343
flat angles C4'-P-C4' energy: -64.215
flat angles P-C4'-P energy: -40.259
tors. eta vs tors. theta energy: -85.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -950.847769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.847769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.847769 (E_RNA)
where:
Base-Base interactions energy: -660.961
where: short stacking energy: -275.487
Base-Backbone interact. energy: -0.548
local terms energy: -289.339029
where:
bonds (distance) C4'-P energy: -57.546
bonds (distance) P-C4' energy: -56.343
flat angles C4'-P-C4' energy: -55.707
flat angles P-C4'-P energy: -36.516
tors. eta vs tors. theta energy: -83.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -940.243361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.243361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.243361 (E_RNA)
where:
Base-Base interactions energy: -646.474
where: short stacking energy: -274.108
Base-Backbone interact. energy: -1.200
local terms energy: -292.569115
where:
bonds (distance) C4'-P energy: -55.593
bonds (distance) P-C4' energy: -55.245
flat angles C4'-P-C4' energy: -61.950
flat angles P-C4'-P energy: -43.211
tors. eta vs tors. theta energy: -76.571
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: 189
Temperature: 1.050000
Total energy: -829.845456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.845456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.845456 (E_RNA)
where:
Base-Base interactions energy: -587.397
where: short stacking energy: -246.680
Base-Backbone interact. energy: -1.049
local terms energy: -241.399313
where:
bonds (distance) C4'-P energy: -35.589
bonds (distance) P-C4' energy: -45.974
flat angles C4'-P-C4' energy: -56.196
flat angles P-C4'-P energy: -34.392
tors. eta vs tors. theta energy: -69.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -839.464729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.464729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.464729 (E_RNA)
where:
Base-Base interactions energy: -592.477
where: short stacking energy: -239.057
Base-Backbone interact. energy: -1.045
local terms energy: -245.942629
where:
bonds (distance) C4'-P energy: -45.626
bonds (distance) P-C4' energy: -54.986
flat angles C4'-P-C4' energy: -56.828
flat angles P-C4'-P energy: -29.297
tors. eta vs tors. theta energy: -59.206
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: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -797.148008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.148008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.148008 (E_RNA)
where:
Base-Base interactions energy: -548.100
where: short stacking energy: -224.780
Base-Backbone interact. energy: -1.263
local terms energy: -247.784757
where:
bonds (distance) C4'-P energy: -42.869
bonds (distance) P-C4' energy: -58.225
flat angles C4'-P-C4' energy: -56.791
flat angles P-C4'-P energy: -34.481
tors. eta vs tors. theta energy: -55.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -744.167137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.167137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.167137 (E_RNA)
where:
Base-Base interactions energy: -524.667
where: short stacking energy: -215.254
Base-Backbone interact. energy: -1.689
local terms energy: -217.811589
where:
bonds (distance) C4'-P energy: -35.651
bonds (distance) P-C4' energy: -44.073
flat angles C4'-P-C4' energy: -50.162
flat angles P-C4'-P energy: -29.506
tors. eta vs tors. theta energy: -58.419
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: 9
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -575.337251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.337251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.337251 (E_RNA)
where:
Base-Base interactions energy: -368.403
where: short stacking energy: -168.167
Base-Backbone interact. energy: -1.386
local terms energy: -205.548325
where:
bonds (distance) C4'-P energy: -47.674
bonds (distance) P-C4' energy: -44.966
flat angles C4'-P-C4' energy: -42.196
flat angles P-C4'-P energy: -35.148
tors. eta vs tors. theta energy: -35.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -550.342826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.342826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.342826 (E_RNA)
where:
Base-Base interactions energy: -355.551
where: short stacking energy: -179.357
Base-Backbone interact. energy: -0.157
local terms energy: -194.634811
where:
bonds (distance) C4'-P energy: -30.811
bonds (distance) P-C4' energy: -44.396
flat angles C4'-P-C4' energy: -50.109
flat angles P-C4'-P energy: -34.343
tors. eta vs tors. theta energy: -34.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -472.124808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.124808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.124808 (E_RNA)
where:
Base-Base interactions energy: -284.781
where: short stacking energy: -123.720
Base-Backbone interact. energy: -2.999
local terms energy: -184.345400
where:
bonds (distance) C4'-P energy: -36.778
bonds (distance) P-C4' energy: -49.211
flat angles C4'-P-C4' energy: -44.252
flat angles P-C4'-P energy: -35.746
tors. eta vs tors. theta energy: -18.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -982.870179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.870179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.870179 (E_RNA)
where:
Base-Base interactions energy: -690.742
where: short stacking energy: -294.232
Base-Backbone interact. energy: 1.421
local terms energy: -293.549150
where:
bonds (distance) C4'-P energy: -54.346
bonds (distance) P-C4' energy: -49.858
flat angles C4'-P-C4' energy: -62.259
flat angles P-C4'-P energy: -45.743
tors. eta vs tors. theta energy: -81.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -940.968339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.968339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.968339 (E_RNA)
where:
Base-Base interactions energy: -655.298
where: short stacking energy: -266.952
Base-Backbone interact. energy: -1.309
local terms energy: -284.361044
where:
bonds (distance) C4'-P energy: -54.187
bonds (distance) P-C4' energy: -49.085
flat angles C4'-P-C4' energy: -59.395
flat angles P-C4'-P energy: -40.405
tors. eta vs tors. theta energy: -81.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -914.704969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.704969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.704969 (E_RNA)
where:
Base-Base interactions energy: -630.180
where: short stacking energy: -257.478
Base-Backbone interact. energy: -1.513
local terms energy: -283.012246
where:
bonds (distance) C4'-P energy: -53.795
bonds (distance) P-C4' energy: -56.462
flat angles C4'-P-C4' energy: -57.460
flat angles P-C4'-P energy: -37.875
tors. eta vs tors. theta energy: -77.420
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: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -848.196483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.196483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.196483 (E_RNA)
where:
Base-Base interactions energy: -587.390
where: short stacking energy: -244.979
Base-Backbone interact. energy: -0.785
local terms energy: -260.021744
where:
bonds (distance) C4'-P energy: -45.146
bonds (distance) P-C4' energy: -52.319
flat angles C4'-P-C4' energy: -54.805
flat angles P-C4'-P energy: -41.435
tors. eta vs tors. theta energy: -66.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -799.783973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.783973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.783973 (E_RNA)
where:
Base-Base interactions energy: -563.096
where: short stacking energy: -235.022
Base-Backbone interact. energy: 3.624
local terms energy: -240.311908
where:
bonds (distance) C4'-P energy: -50.633
bonds (distance) P-C4' energy: -48.343
flat angles C4'-P-C4' energy: -51.678
flat angles P-C4'-P energy: -38.692
tors. eta vs tors. theta energy: -50.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -796.675013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.675013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.675013 (E_RNA)
where:
Base-Base interactions energy: -552.969
where: short stacking energy: -212.960
Base-Backbone interact. energy: -0.286
local terms energy: -243.419544
where:
bonds (distance) C4'-P energy: -52.889
bonds (distance) P-C4' energy: -46.181
flat angles C4'-P-C4' energy: -53.041
flat angles P-C4'-P energy: -36.457
tors. eta vs tors. theta energy: -54.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -722.977284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.977284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.977284 (E_RNA)
where:
Base-Base interactions energy: -478.194
where: short stacking energy: -197.286
Base-Backbone interact. energy: 0.181
local terms energy: -244.964773
where:
bonds (distance) C4'-P energy: -53.384
bonds (distance) P-C4' energy: -49.168
flat angles C4'-P-C4' energy: -53.265
flat angles P-C4'-P energy: -36.016
tors. eta vs tors. theta energy: -53.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -611.057697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.057697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.057697 (E_RNA)
where:
Base-Base interactions energy: -416.241
where: short stacking energy: -169.239
Base-Backbone interact. energy: -0.740
local terms energy: -194.076245
where:
bonds (distance) C4'-P energy: -44.253
bonds (distance) P-C4' energy: -42.714
flat angles C4'-P-C4' energy: -45.671
flat angles P-C4'-P energy: -36.303
tors. eta vs tors. theta energy: -25.135
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: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -576.599633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.599633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.599633 (E_RNA)
where:
Base-Base interactions energy: -362.196
where: short stacking energy: -174.709
Base-Backbone interact. energy: -1.164
local terms energy: -213.239078
where:
bonds (distance) C4'-P energy: -43.295
bonds (distance) P-C4' energy: -49.845
flat angles C4'-P-C4' energy: -45.582
flat angles P-C4'-P energy: -35.058
tors. eta vs tors. theta energy: -39.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -479.996392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.996392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.996392 (E_RNA)
where:
Base-Base interactions energy: -304.821
where: short stacking energy: -125.934
Base-Backbone interact. energy: -0.571
local terms energy: -174.604628
where:
bonds (distance) C4'-P energy: -40.535
bonds (distance) P-C4' energy: -53.049
flat angles C4'-P-C4' energy: -31.268
flat angles P-C4'-P energy: -24.498
tors. eta vs tors. theta energy: -25.254
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: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -972.124007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.124007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.124007 (E_RNA)
where:
Base-Base interactions energy: -685.192
where: short stacking energy: -265.842
Base-Backbone interact. energy: -2.877
local terms energy: -284.054165
where:
bonds (distance) C4'-P energy: -52.738
bonds (distance) P-C4' energy: -50.411
flat angles C4'-P-C4' energy: -50.622
flat angles P-C4'-P energy: -46.332
tors. eta vs tors. theta energy: -83.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -943.668933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.668933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.668933 (E_RNA)
where:
Base-Base interactions energy: -655.232
where: short stacking energy: -273.485
Base-Backbone interact. energy: -2.104
local terms energy: -286.333591
where:
bonds (distance) C4'-P energy: -53.473
bonds (distance) P-C4' energy: -58.213
flat angles C4'-P-C4' energy: -59.924
flat angles P-C4'-P energy: -35.640
tors. eta vs tors. theta energy: -79.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -917.948868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.948868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.948868 (E_RNA)
where:
Base-Base interactions energy: -644.430
where: short stacking energy: -263.868
Base-Backbone interact. energy: -2.218
local terms energy: -271.301205
where:
bonds (distance) C4'-P energy: -42.899
bonds (distance) P-C4' energy: -47.592
flat angles C4'-P-C4' energy: -60.822
flat angles P-C4'-P energy: -43.579
tors. eta vs tors. theta energy: -76.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -825.341443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.341443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.341443 (E_RNA)
where:
Base-Base interactions energy: -571.331
where: short stacking energy: -249.861
Base-Backbone interact. energy: -1.845
local terms energy: -252.165298
where:
bonds (distance) C4'-P energy: -51.946
bonds (distance) P-C4' energy: -47.149
flat angles C4'-P-C4' energy: -54.666
flat angles P-C4'-P energy: -34.068
tors. eta vs tors. theta energy: -64.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -803.534414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.534414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.534414 (E_RNA)
where:
Base-Base interactions energy: -576.570
where: short stacking energy: -226.272
Base-Backbone interact. energy: -0.020
local terms energy: -226.944300
where:
bonds (distance) C4'-P energy: -48.862
bonds (distance) P-C4' energy: -46.702
flat angles C4'-P-C4' energy: -50.902
flat angles P-C4'-P energy: -23.654
tors. eta vs tors. theta energy: -56.824
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: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -794.677299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.677299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.677299 (E_RNA)
where:
Base-Base interactions energy: -545.985
where: short stacking energy: -225.212
Base-Backbone interact. energy: -0.472
local terms energy: -248.220241
where:
bonds (distance) C4'-P energy: -41.109
bonds (distance) P-C4' energy: -57.446
flat angles C4'-P-C4' energy: -51.683
flat angles P-C4'-P energy: -41.995
tors. eta vs tors. theta energy: -55.987
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: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -728.996374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.996374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.996374 (E_RNA)
where:
Base-Base interactions energy: -501.618
where: short stacking energy: -210.612
Base-Backbone interact. energy: -1.757
local terms energy: -225.622240
where:
bonds (distance) C4'-P energy: -38.876
bonds (distance) P-C4' energy: -49.999
flat angles C4'-P-C4' energy: -51.853
flat angles P-C4'-P energy: -34.201
tors. eta vs tors. theta energy: -50.694
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: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -639.731524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.731524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.731524 (E_RNA)
where:
Base-Base interactions energy: -429.744
where: short stacking energy: -178.501
Base-Backbone interact. energy: -1.719
local terms energy: -208.268923
where:
bonds (distance) C4'-P energy: -34.626
bonds (distance) P-C4' energy: -51.576
flat angles C4'-P-C4' energy: -46.586
flat angles P-C4'-P energy: -35.733
tors. eta vs tors. theta energy: -39.748
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: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -583.552493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.552493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.552493 (E_RNA)
where:
Base-Base interactions energy: -380.785
where: short stacking energy: -172.595
Base-Backbone interact. energy: 1.108
local terms energy: -203.875396
where:
bonds (distance) C4'-P energy: -35.233
bonds (distance) P-C4' energy: -49.310
flat angles C4'-P-C4' energy: -47.560
flat angles P-C4'-P energy: -31.161
tors. eta vs tors. theta energy: -40.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -480.469815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.469815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.469815 (E_RNA)
where:
Base-Base interactions energy: -307.446
where: short stacking energy: -141.573
Base-Backbone interact. energy: -0.745
local terms energy: -172.279224
where:
bonds (distance) C4'-P energy: -30.713
bonds (distance) P-C4' energy: -46.413
flat angles C4'-P-C4' energy: -31.946
flat angles P-C4'-P energy: -37.331
tors. eta vs tors. theta energy: -25.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -964.534789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.534789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.534789 (E_RNA)
where:
Base-Base interactions energy: -690.301
where: short stacking energy: -269.403
Base-Backbone interact. energy: -1.244
local terms energy: -272.989697
where:
bonds (distance) C4'-P energy: -49.955
bonds (distance) P-C4' energy: -51.966
flat angles C4'-P-C4' energy: -61.861
flat angles P-C4'-P energy: -35.138
tors. eta vs tors. theta energy: -74.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -936.341474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.341474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.341474 (E_RNA)
where:
Base-Base interactions energy: -672.266
where: short stacking energy: -252.399
Base-Backbone interact. energy: -1.623
local terms energy: -262.452880
where:
bonds (distance) C4'-P energy: -41.868
bonds (distance) P-C4' energy: -54.507
flat angles C4'-P-C4' energy: -59.386
flat angles P-C4'-P energy: -34.821
tors. eta vs tors. theta energy: -71.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -916.611229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.611229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.611229 (E_RNA)
where:
Base-Base interactions energy: -630.167
where: short stacking energy: -257.348
Base-Backbone interact. energy: -1.744
local terms energy: -284.699448
where:
bonds (distance) C4'-P energy: -54.407
bonds (distance) P-C4' energy: -57.697
flat angles C4'-P-C4' energy: -60.522
flat angles P-C4'-P energy: -40.167
tors. eta vs tors. theta energy: -71.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -827.538882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.538882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.538882 (E_RNA)
where:
Base-Base interactions energy: -579.189
where: short stacking energy: -250.435
Base-Backbone interact. energy: -1.350
local terms energy: -246.999797
where:
bonds (distance) C4'-P energy: -39.523
bonds (distance) P-C4' energy: -54.464
flat angles C4'-P-C4' energy: -57.085
flat angles P-C4'-P energy: -35.218
tors. eta vs tors. theta energy: -60.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -781.457063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.457063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.457063 (E_RNA)
where:
Base-Base interactions energy: -550.669
where: short stacking energy: -210.635
Base-Backbone interact. energy: 0.451
local terms energy: -231.239372
where:
bonds (distance) C4'-P energy: -39.510
bonds (distance) P-C4' energy: -50.705
flat angles C4'-P-C4' energy: -54.397
flat angles P-C4'-P energy: -32.582
tors. eta vs tors. theta energy: -54.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -795.697198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.697198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.697198 (E_RNA)
where:
Base-Base interactions energy: -558.979
where: short stacking energy: -218.231
Base-Backbone interact. energy: 2.252
local terms energy: -238.970182
where:
bonds (distance) C4'-P energy: -48.342
bonds (distance) P-C4' energy: -44.513
flat angles C4'-P-C4' energy: -52.865
flat angles P-C4'-P energy: -36.317
tors. eta vs tors. theta energy: -56.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -727.329929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.329929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.329929 (E_RNA)
where:
Base-Base interactions energy: -488.447
where: short stacking energy: -183.540
Base-Backbone interact. energy: 1.582
local terms energy: -240.464991
where:
bonds (distance) C4'-P energy: -49.077
bonds (distance) P-C4' energy: -51.702
flat angles C4'-P-C4' energy: -47.814
flat angles P-C4'-P energy: -39.105
tors. eta vs tors. theta energy: -52.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -616.822067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.822067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.822067 (E_RNA)
where:
Base-Base interactions energy: -426.906
where: short stacking energy: -179.608
Base-Backbone interact. energy: -0.346
local terms energy: -189.570305
where:
bonds (distance) C4'-P energy: -43.600
bonds (distance) P-C4' energy: -34.680
flat angles C4'-P-C4' energy: -42.894
flat angles P-C4'-P energy: -32.382
tors. eta vs tors. theta energy: -36.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -576.321761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.321761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.321761 (E_RNA)
where:
Base-Base interactions energy: -379.419
where: short stacking energy: -166.773
Base-Backbone interact. energy: 1.252
local terms energy: -198.155227
where:
bonds (distance) C4'-P energy: -52.275
bonds (distance) P-C4' energy: -44.831
flat angles C4'-P-C4' energy: -47.417
flat angles P-C4'-P energy: -23.671
tors. eta vs tors. theta energy: -29.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -500.318363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.318363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.318363 (E_RNA)
where:
Base-Base interactions energy: -304.336
where: short stacking energy: -132.691
Base-Backbone interact. energy: -0.724
local terms energy: -195.258345
where:
bonds (distance) C4'-P energy: -42.220
bonds (distance) P-C4' energy: -53.685
flat angles C4'-P-C4' energy: -35.628
flat angles P-C4'-P energy: -33.784
tors. eta vs tors. theta energy: -29.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -976.457692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.457692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.457692 (E_RNA)
where:
Base-Base interactions energy: -677.906
where: short stacking energy: -274.548
Base-Backbone interact. energy: -2.967
local terms energy: -295.584578
where:
bonds (distance) C4'-P energy: -56.759
bonds (distance) P-C4' energy: -45.681
flat angles C4'-P-C4' energy: -61.923
flat angles P-C4'-P energy: -45.067
tors. eta vs tors. theta energy: -86.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -948.810360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.810360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.810360 (E_RNA)
where:
Base-Base interactions energy: -668.655
where: short stacking energy: -269.508
Base-Backbone interact. energy: -0.043
local terms energy: -280.112134
where:
bonds (distance) C4'-P energy: -47.748
bonds (distance) P-C4' energy: -58.089
flat angles C4'-P-C4' energy: -60.045
flat angles P-C4'-P energy: -41.353
tors. eta vs tors. theta energy: -72.876
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: 10
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -886.252657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.252657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.252657 (E_RNA)
where:
Base-Base interactions energy: -622.227
where: short stacking energy: -255.950
Base-Backbone interact. energy: 1.579
local terms energy: -265.604652
where:
bonds (distance) C4'-P energy: -55.383
bonds (distance) P-C4' energy: -48.438
flat angles C4'-P-C4' energy: -53.381
flat angles P-C4'-P energy: -35.196
tors. eta vs tors. theta energy: -73.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -828.690732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.690732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.690732 (E_RNA)
where:
Base-Base interactions energy: -580.271
where: short stacking energy: -225.316
Base-Backbone interact. energy: -1.507
local terms energy: -246.913474
where:
bonds (distance) C4'-P energy: -50.249
bonds (distance) P-C4' energy: -44.618
flat angles C4'-P-C4' energy: -58.354
flat angles P-C4'-P energy: -36.216
tors. eta vs tors. theta energy: -57.476
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: 6
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -837.933017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.933017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.933017 (E_RNA)
where:
Base-Base interactions energy: -590.106
where: short stacking energy: -259.065
Base-Backbone interact. energy: -1.844
local terms energy: -245.982696
where:
bonds (distance) C4'-P energy: -38.774
bonds (distance) P-C4' energy: -48.431
flat angles C4'-P-C4' energy: -48.453
flat angles P-C4'-P energy: -46.310
tors. eta vs tors. theta energy: -64.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -800.861326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.861326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.861326 (E_RNA)
where:
Base-Base interactions energy: -559.949
where: short stacking energy: -212.323
Base-Backbone interact. energy: 1.477
local terms energy: -242.389172
where:
bonds (distance) C4'-P energy: -50.950
bonds (distance) P-C4' energy: -54.578
flat angles C4'-P-C4' energy: -52.644
flat angles P-C4'-P energy: -25.099
tors. eta vs tors. theta energy: -59.118
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: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -714.297453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.297453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.297453 (E_RNA)
where:
Base-Base interactions energy: -505.421
where: short stacking energy: -188.642
Base-Backbone interact. energy: -0.589
local terms energy: -208.286773
where:
bonds (distance) C4'-P energy: -38.232
bonds (distance) P-C4' energy: -41.294
flat angles C4'-P-C4' energy: -47.376
flat angles P-C4'-P energy: -27.934
tors. eta vs tors. theta energy: -53.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -626.496118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.496118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.496118 (E_RNA)
where:
Base-Base interactions energy: -426.628
where: short stacking energy: -177.449
Base-Backbone interact. energy: -1.954
local terms energy: -197.914326
where:
bonds (distance) C4'-P energy: -37.460
bonds (distance) P-C4' energy: -44.183
flat angles C4'-P-C4' energy: -46.176
flat angles P-C4'-P energy: -30.400
tors. eta vs tors. theta energy: -39.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -602.584957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.584957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.584957 (E_RNA)
where:
Base-Base interactions energy: -387.534
where: short stacking energy: -185.205
Base-Backbone interact. energy: -0.889
local terms energy: -214.161763
where:
bonds (distance) C4'-P energy: -54.416
bonds (distance) P-C4' energy: -47.805
flat angles C4'-P-C4' energy: -40.384
flat angles P-C4'-P energy: -22.226
tors. eta vs tors. theta energy: -49.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -465.721436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.721436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.721436 (E_RNA)
where:
Base-Base interactions energy: -299.923
where: short stacking energy: -138.544
Base-Backbone interact. energy: -0.522
local terms energy: -165.276873
where:
bonds (distance) C4'-P energy: -51.280
bonds (distance) P-C4' energy: -43.287
flat angles C4'-P-C4' energy: -34.611
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -26.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -974.155943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.155943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.155943 (E_RNA)
where:
Base-Base interactions energy: -683.062
where: short stacking energy: -271.335
Base-Backbone interact. energy: 1.415
local terms energy: -292.508654
where:
bonds (distance) C4'-P energy: -58.546
bonds (distance) P-C4' energy: -58.833
flat angles C4'-P-C4' energy: -52.118
flat angles P-C4'-P energy: -41.284
tors. eta vs tors. theta energy: -81.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -950.966068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.966068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.966068 (E_RNA)
where:
Base-Base interactions energy: -668.577
where: short stacking energy: -268.687
Base-Backbone interact. energy: -2.955
local terms energy: -279.433741
where:
bonds (distance) C4'-P energy: -49.253
bonds (distance) P-C4' energy: -56.625
flat angles C4'-P-C4' energy: -52.777
flat angles P-C4'-P energy: -42.470
tors. eta vs tors. theta energy: -78.310
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: 3, replica: 10
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -906.326855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.326855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.326855 (E_RNA)
where:
Base-Base interactions energy: -630.571
where: short stacking energy: -256.429
Base-Backbone interact. energy: -1.203
local terms energy: -274.553202
where:
bonds (distance) C4'-P energy: -51.206
bonds (distance) P-C4' energy: -49.205
flat angles C4'-P-C4' energy: -59.064
flat angles P-C4'-P energy: -46.086
tors. eta vs tors. theta energy: -68.992
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: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -843.687405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.687405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.687405 (E_RNA)
where:
Base-Base interactions energy: -596.670
where: short stacking energy: -256.471
Base-Backbone interact. energy: -0.447
local terms energy: -246.570204
where:
bonds (distance) C4'-P energy: -46.644
bonds (distance) P-C4' energy: -55.169
flat angles C4'-P-C4' energy: -53.253
flat angles P-C4'-P energy: -35.989
tors. eta vs tors. theta energy: -55.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -835.482505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.482505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.482505 (E_RNA)
where:
Base-Base interactions energy: -571.425
where: short stacking energy: -233.245
Base-Backbone interact. energy: -2.374
local terms energy: -261.683401
where:
bonds (distance) C4'-P energy: -47.593
bonds (distance) P-C4' energy: -49.428
flat angles C4'-P-C4' energy: -56.635
flat angles P-C4'-P energy: -34.887
tors. eta vs tors. theta energy: -73.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -810.201485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.201485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.201485 (E_RNA)
where:
Base-Base interactions energy: -547.181
where: short stacking energy: -210.088
Base-Backbone interact. energy: -0.637
local terms energy: -262.383579
where:
bonds (distance) C4'-P energy: -58.361
bonds (distance) P-C4' energy: -48.220
flat angles C4'-P-C4' energy: -56.761
flat angles P-C4'-P energy: -43.611
tors. eta vs tors. theta energy: -55.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -743.640728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.640728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.640728 (E_RNA)
where:
Base-Base interactions energy: -499.738
where: short stacking energy: -206.462
Base-Backbone interact. energy: -1.941
local terms energy: -241.961537
where:
bonds (distance) C4'-P energy: -47.242
bonds (distance) P-C4' energy: -44.786
flat angles C4'-P-C4' energy: -51.210
flat angles P-C4'-P energy: -37.604
tors. eta vs tors. theta energy: -61.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -639.425226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.425226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.425226 (E_RNA)
where:
Base-Base interactions energy: -405.508
where: short stacking energy: -175.258
Base-Backbone interact. energy: -0.647
local terms energy: -233.270127
where:
bonds (distance) C4'-P energy: -53.303
bonds (distance) P-C4' energy: -47.483
flat angles C4'-P-C4' energy: -54.683
flat angles P-C4'-P energy: -39.336
tors. eta vs tors. theta energy: -38.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -520.005493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.005493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.005493 (E_RNA)
where:
Base-Base interactions energy: -335.903
where: short stacking energy: -151.044
Base-Backbone interact. energy: -1.268
local terms energy: -182.834117
where:
bonds (distance) C4'-P energy: -45.635
bonds (distance) P-C4' energy: -48.203
flat angles C4'-P-C4' energy: -40.343
flat angles P-C4'-P energy: -22.250
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: 3
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -476.077080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.077080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.077080 (E_RNA)
where:
Base-Base interactions energy: -298.727
where: short stacking energy: -121.165
Base-Backbone interact. energy: -1.611
local terms energy: -175.738751
where:
bonds (distance) C4'-P energy: -41.525
bonds (distance) P-C4' energy: -39.203
flat angles C4'-P-C4' energy: -51.873
flat angles P-C4'-P energy: -26.942
tors. eta vs tors. theta energy: -16.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -976.582754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.582754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.582754 (E_RNA)
where:
Base-Base interactions energy: -687.770
where: short stacking energy: -276.151
Base-Backbone interact. energy: -1.650
local terms energy: -287.162926
where:
bonds (distance) C4'-P energy: -59.667
bonds (distance) P-C4' energy: -45.629
flat angles C4'-P-C4' energy: -57.857
flat angles P-C4'-P energy: -49.155
tors. eta vs tors. theta energy: -74.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -904.449318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.449318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.449318 (E_RNA)
where:
Base-Base interactions energy: -630.920
where: short stacking energy: -248.659
Base-Backbone interact. energy: -1.076
local terms energy: -272.453718
where:
bonds (distance) C4'-P energy: -52.830
bonds (distance) P-C4' energy: -54.525
flat angles C4'-P-C4' energy: -58.568
flat angles P-C4'-P energy: -38.472
tors. eta vs tors. theta energy: -68.059
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: 10
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -879.455186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.455186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.455186 (E_RNA)
where:
Base-Base interactions energy: -615.734
where: short stacking energy: -258.561
Base-Backbone interact. energy: -0.773
local terms energy: -262.947764
where:
bonds (distance) C4'-P energy: -61.000
bonds (distance) P-C4' energy: -48.886
flat angles C4'-P-C4' energy: -61.948
flat angles P-C4'-P energy: -26.992
tors. eta vs tors. theta energy: -64.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -832.918348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.918348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.918348 (E_RNA)
where:
Base-Base interactions energy: -583.895
where: short stacking energy: -237.292
Base-Backbone interact. energy: -1.279
local terms energy: -247.744232
where:
bonds (distance) C4'-P energy: -52.701
bonds (distance) P-C4' energy: -44.662
flat angles C4'-P-C4' energy: -60.120
flat angles P-C4'-P energy: -28.969
tors. eta vs tors. theta energy: -61.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -817.764880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.764880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.764880 (E_RNA)
where:
Base-Base interactions energy: -557.514
where: short stacking energy: -224.130
Base-Backbone interact. energy: 0.259
local terms energy: -260.510043
where:
bonds (distance) C4'-P energy: -46.832
bonds (distance) P-C4' energy: -54.243
flat angles C4'-P-C4' energy: -56.675
flat angles P-C4'-P energy: -42.259
tors. eta vs tors. theta energy: -60.501
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: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -768.005876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.005876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.005876 (E_RNA)
where:
Base-Base interactions energy: -535.633
where: short stacking energy: -216.550
Base-Backbone interact. energy: -1.962
local terms energy: -230.410786
where:
bonds (distance) C4'-P energy: -39.079
bonds (distance) P-C4' energy: -48.479
flat angles C4'-P-C4' energy: -50.309
flat angles P-C4'-P energy: -29.451
tors. eta vs tors. theta energy: -63.093
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: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -737.791055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.791055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.791055 (E_RNA)
where:
Base-Base interactions energy: -522.884
where: short stacking energy: -221.900
Base-Backbone interact. energy: 2.622
local terms energy: -217.528971
where:
bonds (distance) C4'-P energy: -42.223
bonds (distance) P-C4' energy: -41.837
flat angles C4'-P-C4' energy: -50.755
flat angles P-C4'-P energy: -35.448
tors. eta vs tors. theta energy: -47.267
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: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -626.779739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.779739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.779739 (E_RNA)
where:
Base-Base interactions energy: -426.120
where: short stacking energy: -188.820
Base-Backbone interact. energy: -0.567
local terms energy: -200.092129
where:
bonds (distance) C4'-P energy: -43.522
bonds (distance) P-C4' energy: -28.906
flat angles C4'-P-C4' energy: -50.134
flat angles P-C4'-P energy: -37.415
tors. eta vs tors. theta energy: -40.115
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: 9, replica: 8
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -527.236237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.236237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.236237 (E_RNA)
where:
Base-Base interactions energy: -328.854
where: short stacking energy: -152.942
Base-Backbone interact. energy: -0.553
local terms energy: -197.829304
where:
bonds (distance) C4'-P energy: -41.847
bonds (distance) P-C4' energy: -50.465
flat angles C4'-P-C4' energy: -47.858
flat angles P-C4'-P energy: -30.755
tors. eta vs tors. theta energy: -26.904
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: 3
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -466.515229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.515229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.515229 (E_RNA)
where:
Base-Base interactions energy: -288.777
where: short stacking energy: -121.473
Base-Backbone interact. energy: 0.175
local terms energy: -177.913259
where:
bonds (distance) C4'-P energy: -44.729
bonds (distance) P-C4' energy: -50.924
flat angles C4'-P-C4' energy: -39.417
flat angles P-C4'-P energy: -26.302
tors. eta vs tors. theta energy: -16.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -973.494818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.494818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.494818 (E_RNA)
where:
Base-Base interactions energy: -678.790
where: short stacking energy: -274.642
Base-Backbone interact. energy: -0.707
local terms energy: -293.998313
where:
bonds (distance) C4'-P energy: -59.482
bonds (distance) P-C4' energy: -54.880
flat angles C4'-P-C4' energy: -63.718
flat angles P-C4'-P energy: -39.681
tors. eta vs tors. theta energy: -76.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -932.700067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.700067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.700067 (E_RNA)
where:
Base-Base interactions energy: -663.320
where: short stacking energy: -261.722
Base-Backbone interact. energy: -1.416
local terms energy: -267.964048
where:
bonds (distance) C4'-P energy: -48.214
bonds (distance) P-C4' energy: -51.998
flat angles C4'-P-C4' energy: -62.570
flat angles P-C4'-P energy: -31.190
tors. eta vs tors. theta energy: -73.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -920.055251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.055251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.055251 (E_RNA)
where:
Base-Base interactions energy: -643.424
where: short stacking energy: -245.238
Base-Backbone interact. energy: 0.138
local terms energy: -276.769058
where:
bonds (distance) C4'-P energy: -55.676
bonds (distance) P-C4' energy: -50.717
flat angles C4'-P-C4' energy: -55.988
flat angles P-C4'-P energy: -42.857
tors. eta vs tors. theta energy: -71.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -877.590589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.590589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.590589 (E_RNA)
where:
Base-Base interactions energy: -585.370
where: short stacking energy: -259.678
Base-Backbone interact. energy: -1.425
local terms energy: -290.795549
where:
bonds (distance) C4'-P energy: -57.947
bonds (distance) P-C4' energy: -50.918
flat angles C4'-P-C4' energy: -63.080
flat angles P-C4'-P energy: -41.169
tors. eta vs tors. theta energy: -77.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -808.388963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.388963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.388963 (E_RNA)
where:
Base-Base interactions energy: -552.200
where: short stacking energy: -225.790
Base-Backbone interact. energy: -1.372
local terms energy: -254.817040
where:
bonds (distance) C4'-P energy: -44.297
bonds (distance) P-C4' energy: -52.672
flat angles C4'-P-C4' energy: -62.710
flat angles P-C4'-P energy: -34.312
tors. eta vs tors. theta energy: -60.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -738.412811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.412811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.412811 (E_RNA)
where:
Base-Base interactions energy: -505.959
where: short stacking energy: -216.049
Base-Backbone interact. energy: -0.994
local terms energy: -231.459785
where:
bonds (distance) C4'-P energy: -43.925
bonds (distance) P-C4' energy: -50.343
flat angles C4'-P-C4' energy: -49.051
flat angles P-C4'-P energy: -34.167
tors. eta vs tors. theta energy: -53.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -716.315509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.315509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.315509 (E_RNA)
where:
Base-Base interactions energy: -484.292
where: short stacking energy: -185.106
Base-Backbone interact. energy: -2.102
local terms energy: -229.922172
where:
bonds (distance) C4'-P energy: -50.800
bonds (distance) P-C4' energy: -53.419
flat angles C4'-P-C4' energy: -50.972
flat angles P-C4'-P energy: -25.482
tors. eta vs tors. theta energy: -49.249
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: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -599.087938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.087938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.087938 (E_RNA)
where:
Base-Base interactions energy: -390.925
where: short stacking energy: -141.434
Base-Backbone interact. energy: 0.941
local terms energy: -209.104017
where:
bonds (distance) C4'-P energy: -50.143
bonds (distance) P-C4' energy: -43.518
flat angles C4'-P-C4' energy: -52.725
flat angles P-C4'-P energy: -31.425
tors. eta vs tors. theta energy: -31.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -545.557829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.557829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.557829 (E_RNA)
where:
Base-Base interactions energy: -342.896
where: short stacking energy: -172.668
Base-Backbone interact. energy: -0.498
local terms energy: -202.163979
where:
bonds (distance) C4'-P energy: -52.420
bonds (distance) P-C4' energy: -39.621
flat angles C4'-P-C4' energy: -40.717
flat angles P-C4'-P energy: -33.196
tors. eta vs tors. theta energy: -36.210
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: 3
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -473.976690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.976690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.976690 (E_RNA)
where:
Base-Base interactions energy: -283.196
where: short stacking energy: -120.879
Base-Backbone interact. energy: -1.340
local terms energy: -189.440871
where:
bonds (distance) C4'-P energy: -48.494
bonds (distance) P-C4' energy: -53.125
flat angles C4'-P-C4' energy: -47.401
flat angles P-C4'-P energy: -27.091
tors. eta vs tors. theta energy: -13.331
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: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -965.154182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.154182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.154182 (E_RNA)
where:
Base-Base interactions energy: -664.851
where: short stacking energy: -283.170
Base-Backbone interact. energy: -1.354
local terms energy: -298.949705
where:
bonds (distance) C4'-P energy: -52.165
bonds (distance) P-C4' energy: -55.209
flat angles C4'-P-C4' energy: -64.641
flat angles P-C4'-P energy: -44.371
tors. eta vs tors. theta energy: -82.564
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: 2, replica: 1
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -933.500253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.500253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.500253 (E_RNA)
where:
Base-Base interactions energy: -659.385
where: short stacking energy: -270.944
Base-Backbone interact. energy: -1.089
local terms energy: -273.026110
where:
bonds (distance) C4'-P energy: -50.122
bonds (distance) P-C4' energy: -51.474
flat angles C4'-P-C4' energy: -60.893
flat angles P-C4'-P energy: -35.552
tors. eta vs tors. theta energy: -74.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -919.540007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.540007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.540007 (E_RNA)
where:
Base-Base interactions energy: -656.951
where: short stacking energy: -275.261
Base-Backbone interact. energy: -1.494
local terms energy: -261.094756
where:
bonds (distance) C4'-P energy: -39.552
bonds (distance) P-C4' energy: -50.963
flat angles C4'-P-C4' energy: -60.950
flat angles P-C4'-P energy: -33.641
tors. eta vs tors. theta energy: -75.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -845.385060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.385060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.385060 (E_RNA)
where:
Base-Base interactions energy: -592.960
where: short stacking energy: -250.675
Base-Backbone interact. energy: -0.903
local terms energy: -251.521765
where:
bonds (distance) C4'-P energy: -45.495
bonds (distance) P-C4' energy: -45.752
flat angles C4'-P-C4' energy: -51.459
flat angles P-C4'-P energy: -34.907
tors. eta vs tors. theta energy: -73.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -811.165307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.165307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.165307 (E_RNA)
where:
Base-Base interactions energy: -564.532
where: short stacking energy: -227.379
Base-Backbone interact. energy: -1.438
local terms energy: -245.194794
where:
bonds (distance) C4'-P energy: -51.242
bonds (distance) P-C4' energy: -48.897
flat angles C4'-P-C4' energy: -52.579
flat angles P-C4'-P energy: -39.150
tors. eta vs tors. theta energy: -53.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -758.629899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.629899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.629899 (E_RNA)
where:
Base-Base interactions energy: -513.039
where: short stacking energy: -217.675
Base-Backbone interact. energy: -1.184
local terms energy: -244.406493
where:
bonds (distance) C4'-P energy: -43.732
bonds (distance) P-C4' energy: -45.717
flat angles C4'-P-C4' energy: -57.151
flat angles P-C4'-P energy: -35.323
tors. eta vs tors. theta energy: -62.483
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: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -719.589377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.589377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.589377 (E_RNA)
where:
Base-Base interactions energy: -481.005
where: short stacking energy: -205.093
Base-Backbone interact. energy: -0.536
local terms energy: -238.048173
where:
bonds (distance) C4'-P energy: -42.734
bonds (distance) P-C4' energy: -52.921
flat angles C4'-P-C4' energy: -50.486
flat angles P-C4'-P energy: -32.444
tors. eta vs tors. theta energy: -59.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -623.744833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.744833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.744833 (E_RNA)
where:
Base-Base interactions energy: -415.340
where: short stacking energy: -164.700
Base-Backbone interact. energy: -2.205
local terms energy: -206.200096
where:
bonds (distance) C4'-P energy: -39.492
bonds (distance) P-C4' energy: -45.122
flat angles C4'-P-C4' energy: -55.407
flat angles P-C4'-P energy: -31.406
tors. eta vs tors. theta energy: -34.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -536.349481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.349481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.349481 (E_RNA)
where:
Base-Base interactions energy: -348.714
where: short stacking energy: -150.294
Base-Backbone interact. energy: -0.153
local terms energy: -187.481930
where:
bonds (distance) C4'-P energy: -45.443
bonds (distance) P-C4' energy: -36.842
flat angles C4'-P-C4' energy: -43.430
flat angles P-C4'-P energy: -28.373
tors. eta vs tors. theta energy: -33.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -488.161704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.161704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.161704 (E_RNA)
where:
Base-Base interactions energy: -298.378
where: short stacking energy: -123.841
Base-Backbone interact. energy: 0.450
local terms energy: -190.233306
where:
bonds (distance) C4'-P energy: -52.304
bonds (distance) P-C4' energy: -46.426
flat angles C4'-P-C4' energy: -40.483
flat angles P-C4'-P energy: -27.201
tors. eta vs tors. theta energy: -23.819
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: 198
Temperature: 0.900000
Total energy: -959.527227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.527227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.527227 (E_RNA)
where:
Base-Base interactions energy: -687.524
where: short stacking energy: -275.624
Base-Backbone interact. energy: -1.525
local terms energy: -270.477271
where:
bonds (distance) C4'-P energy: -49.541
bonds (distance) P-C4' energy: -55.559
flat angles C4'-P-C4' energy: -56.021
flat angles P-C4'-P energy: -40.081
tors. eta vs tors. theta energy: -69.275
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: 2, replica: 4
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -953.377493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.377493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.377493 (E_RNA)
where:
Base-Base interactions energy: -661.286
where: short stacking energy: -272.596
Base-Backbone interact. energy: -2.273
local terms energy: -289.819096
where:
bonds (distance) C4'-P energy: -53.584
bonds (distance) P-C4' energy: -54.817
flat angles C4'-P-C4' energy: -60.939
flat angles P-C4'-P energy: -41.293
tors. eta vs tors. theta energy: -79.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -857.081594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.081594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.081594 (E_RNA)
where:
Base-Base interactions energy: -589.534
where: short stacking energy: -249.517
Base-Backbone interact. energy: -0.844
local terms energy: -266.703255
where:
bonds (distance) C4'-P energy: -46.195
bonds (distance) P-C4' energy: -48.114
flat angles C4'-P-C4' energy: -59.548
flat angles P-C4'-P energy: -41.686
tors. eta vs tors. theta energy: -71.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -897.215477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.215477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.215477 (E_RNA)
where:
Base-Base interactions energy: -618.918
where: short stacking energy: -257.743
Base-Backbone interact. energy: -1.620
local terms energy: -276.677956
where:
bonds (distance) C4'-P energy: -44.487
bonds (distance) P-C4' energy: -56.462
flat angles C4'-P-C4' energy: -55.201
flat angles P-C4'-P energy: -48.102
tors. eta vs tors. theta energy: -72.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -815.873284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.873284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.873284 (E_RNA)
where:
Base-Base interactions energy: -560.000
where: short stacking energy: -238.751
Base-Backbone interact. energy: 1.013
local terms energy: -256.886207
where:
bonds (distance) C4'-P energy: -49.562
bonds (distance) P-C4' energy: -47.910
flat angles C4'-P-C4' energy: -57.042
flat angles P-C4'-P energy: -30.187
tors. eta vs tors. theta energy: -72.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -771.239376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.239376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.239376 (E_RNA)
where:
Base-Base interactions energy: -541.979
where: short stacking energy: -216.216
Base-Backbone interact. energy: -1.688
local terms energy: -227.572180
where:
bonds (distance) C4'-P energy: -46.122
bonds (distance) P-C4' energy: -43.735
flat angles C4'-P-C4' energy: -49.627
flat angles P-C4'-P energy: -32.871
tors. eta vs tors. theta energy: -55.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -689.439097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.439097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.439097 (E_RNA)
where:
Base-Base interactions energy: -458.742
where: short stacking energy: -185.146
Base-Backbone interact. energy: 0.784
local terms energy: -231.481901
where:
bonds (distance) C4'-P energy: -42.632
bonds (distance) P-C4' energy: -60.388
flat angles C4'-P-C4' energy: -48.812
flat angles P-C4'-P energy: -30.978
tors. eta vs tors. theta energy: -48.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -564.377946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.377946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.377946 (E_RNA)
where:
Base-Base interactions energy: -368.465
where: short stacking energy: -164.198
Base-Backbone interact. energy: -0.121
local terms energy: -195.791941
where:
bonds (distance) C4'-P energy: -53.083
bonds (distance) P-C4' energy: -46.981
flat angles C4'-P-C4' energy: -44.626
flat angles P-C4'-P energy: -23.931
tors. eta vs tors. theta energy: -27.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -535.452659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.452659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.452659 (E_RNA)
where:
Base-Base interactions energy: -342.522
where: short stacking energy: -155.728
Base-Backbone interact. energy: -0.995
local terms energy: -191.935722
where:
bonds (distance) C4'-P energy: -28.819
bonds (distance) P-C4' energy: -51.812
flat angles C4'-P-C4' energy: -50.852
flat angles P-C4'-P energy: -39.117
tors. eta vs tors. theta energy: -21.335
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: 3
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -495.276335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.276335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.276335 (E_RNA)
where:
Base-Base interactions energy: -315.766
where: short stacking energy: -148.545
Base-Backbone interact. energy: -0.544
local terms energy: -178.966298
where:
bonds (distance) C4'-P energy: -43.434
bonds (distance) P-C4' energy: -48.550
flat angles C4'-P-C4' energy: -42.469
flat angles P-C4'-P energy: -25.699
tors. eta vs tors. theta energy: -18.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -972.260924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.260924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.260924 (E_RNA)
where:
Base-Base interactions energy: -689.716
where: short stacking energy: -263.620
Base-Backbone interact. energy: -1.477
local terms energy: -281.067890
where:
bonds (distance) C4'-P energy: -50.638
bonds (distance) P-C4' energy: -53.461
flat angles C4'-P-C4' energy: -64.538
flat angles P-C4'-P energy: -42.739
tors. eta vs tors. theta energy: -69.692
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: 199
Temperature: 0.950000
Total energy: -962.019883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.019883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.019883 (E_RNA)
where:
Base-Base interactions energy: -666.840
where: short stacking energy: -275.235
Base-Backbone interact. energy: -2.291
local terms energy: -292.889295
where:
bonds (distance) C4'-P energy: -48.276
bonds (distance) P-C4' energy: -63.638
flat angles C4'-P-C4' energy: -59.747
flat angles P-C4'-P energy: -40.436
tors. eta vs tors. theta energy: -80.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -880.265241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.265241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.265241 (E_RNA)
where:
Base-Base interactions energy: -595.033
where: short stacking energy: -251.458
Base-Backbone interact. energy: -2.748
local terms energy: -282.484576
where:
bonds (distance) C4'-P energy: -49.240
bonds (distance) P-C4' energy: -54.246
flat angles C4'-P-C4' energy: -58.459
flat angles P-C4'-P energy: -45.129
tors. eta vs tors. theta energy: -75.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -892.398205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.398205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.398205 (E_RNA)
where:
Base-Base interactions energy: -630.853
where: short stacking energy: -265.291
Base-Backbone interact. energy: -0.950
local terms energy: -260.594720
where:
bonds (distance) C4'-P energy: -47.626
bonds (distance) P-C4' energy: -51.422
flat angles C4'-P-C4' energy: -56.720
flat angles P-C4'-P energy: -36.223
tors. eta vs tors. theta energy: -68.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -800.780494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.780494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.780494 (E_RNA)
where:
Base-Base interactions energy: -554.204
where: short stacking energy: -220.458
Base-Backbone interact. energy: -1.741
local terms energy: -244.835832
where:
bonds (distance) C4'-P energy: -38.973
bonds (distance) P-C4' energy: -63.169
flat angles C4'-P-C4' energy: -58.119
flat angles P-C4'-P energy: -32.373
tors. eta vs tors. theta energy: -52.202
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: 6, replica: 5
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -781.839758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.839758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.839758 (E_RNA)
where:
Base-Base interactions energy: -563.072
where: short stacking energy: -234.094
Base-Backbone interact. energy: -1.215
local terms energy: -217.552915
where:
bonds (distance) C4'-P energy: -41.209
bonds (distance) P-C4' energy: -39.068
flat angles C4'-P-C4' energy: -55.171
flat angles P-C4'-P energy: -31.359
tors. eta vs tors. theta energy: -50.745
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: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -651.440116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.440116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.440116 (E_RNA)
where:
Base-Base interactions energy: -428.307
where: short stacking energy: -187.520
Base-Backbone interact. energy: -0.522
local terms energy: -222.611263
where:
bonds (distance) C4'-P energy: -52.360
bonds (distance) P-C4' energy: -50.188
flat angles C4'-P-C4' energy: -49.802
flat angles P-C4'-P energy: -32.380
tors. eta vs tors. theta energy: -37.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -593.883183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.883183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.883183 (E_RNA)
where:
Base-Base interactions energy: -374.653
where: short stacking energy: -164.975
Base-Backbone interact. energy: -0.963
local terms energy: -218.267411
where:
bonds (distance) C4'-P energy: -49.341
bonds (distance) P-C4' energy: -49.357
flat angles C4'-P-C4' energy: -41.743
flat angles P-C4'-P energy: -34.094
tors. eta vs tors. theta energy: -43.733
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: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -495.572002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.572002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.572002 (E_RNA)
where:
Base-Base interactions energy: -312.899
where: short stacking energy: -150.116
Base-Backbone interact. energy: 0.133
local terms energy: -182.805955
where:
bonds (distance) C4'-P energy: -50.358
bonds (distance) P-C4' energy: -47.547
flat angles C4'-P-C4' energy: -43.493
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -28.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -461.315554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.315554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.315554 (E_RNA)
where:
Base-Base interactions energy: -281.200
where: short stacking energy: -133.806
Base-Backbone interact. energy: -0.816
local terms energy: -179.298733
where:
bonds (distance) C4'-P energy: -38.462
bonds (distance) P-C4' energy: -46.916
flat angles C4'-P-C4' energy: -39.432
flat angles P-C4'-P energy: -30.304
tors. eta vs tors. theta energy: -24.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -962.149790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.149790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.149790 (E_RNA)
where:
Base-Base interactions energy: -675.696
where: short stacking energy: -275.383
Base-Backbone interact. energy: -1.322
local terms energy: -285.132449
where:
bonds (distance) C4'-P energy: -61.936
bonds (distance) P-C4' energy: -50.313
flat angles C4'-P-C4' energy: -57.535
flat angles P-C4'-P energy: -41.583
tors. eta vs tors. theta energy: -73.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -951.705979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.705979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.705979 (E_RNA)
where:
Base-Base interactions energy: -655.196
where: short stacking energy: -270.511
Base-Backbone interact. energy: -3.742
local terms energy: -292.768163
where:
bonds (distance) C4'-P energy: -46.774
bonds (distance) P-C4' energy: -59.663
flat angles C4'-P-C4' energy: -63.037
flat angles P-C4'-P energy: -46.977
tors. eta vs tors. theta energy: -76.317
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: 3, replica: 10
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -911.131078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.131078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.131078 (E_RNA)
where:
Base-Base interactions energy: -637.191
where: short stacking energy: -261.385
Base-Backbone interact. energy: -1.827
local terms energy: -272.112539
where:
bonds (distance) C4'-P energy: -47.192
bonds (distance) P-C4' energy: -48.435
flat angles C4'-P-C4' energy: -57.429
flat angles P-C4'-P energy: -42.044
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: 4, replica: 6
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -863.320518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.320518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.320518 (E_RNA)
where:
Base-Base interactions energy: -591.831
where: short stacking energy: -254.534
Base-Backbone interact. energy: -0.749
local terms energy: -270.740851
where:
bonds (distance) C4'-P energy: -50.436
bonds (distance) P-C4' energy: -44.347
flat angles C4'-P-C4' energy: -56.526
flat angles P-C4'-P energy: -41.264
tors. eta vs tors. theta energy: -78.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -835.381463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.381463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.381463 (E_RNA)
where:
Base-Base interactions energy: -567.357
where: short stacking energy: -247.127
Base-Backbone interact. energy: -0.809
local terms energy: -267.215454
where:
bonds (distance) C4'-P energy: -56.310
bonds (distance) P-C4' energy: -52.658
flat angles C4'-P-C4' energy: -57.517
flat angles P-C4'-P energy: -32.828
tors. eta vs tors. theta energy: -67.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -764.112878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.112878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.112878 (E_RNA)
where:
Base-Base interactions energy: -529.075
where: short stacking energy: -221.088
Base-Backbone interact. energy: 1.450
local terms energy: -236.488652
where:
bonds (distance) C4'-P energy: -48.423
bonds (distance) P-C4' energy: -52.881
flat angles C4'-P-C4' energy: -43.444
flat angles P-C4'-P energy: -35.360
tors. eta vs tors. theta energy: -56.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -695.843977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.843977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.843977 (E_RNA)
where:
Base-Base interactions energy: -465.035
where: short stacking energy: -195.319
Base-Backbone interact. energy: 1.275
local terms energy: -232.084130
where:
bonds (distance) C4'-P energy: -50.301
bonds (distance) P-C4' energy: -52.194
flat angles C4'-P-C4' energy: -46.442
flat angles P-C4'-P energy: -34.947
tors. eta vs tors. theta energy: -48.200
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: 9
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -610.831171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.831171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.831171 (E_RNA)
where:
Base-Base interactions energy: -416.806
where: short stacking energy: -188.844
Base-Backbone interact. energy: 1.755
local terms energy: -195.780133
where:
bonds (distance) C4'-P energy: -43.199
bonds (distance) P-C4' energy: -38.424
flat angles C4'-P-C4' energy: -47.997
flat angles P-C4'-P energy: -37.356
tors. eta vs tors. theta energy: -28.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -557.666822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.666822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.666822 (E_RNA)
where:
Base-Base interactions energy: -363.943
where: short stacking energy: -163.321
Base-Backbone interact. energy: 1.818
local terms energy: -195.541734
where:
bonds (distance) C4'-P energy: -44.291
bonds (distance) P-C4' energy: -42.253
flat angles C4'-P-C4' energy: -44.384
flat angles P-C4'-P energy: -39.021
tors. eta vs tors. theta energy: -25.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -465.305002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.305002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.305002 (E_RNA)
where:
Base-Base interactions energy: -273.782
where: short stacking energy: -121.201
Base-Backbone interact. energy: 2.889
local terms energy: -194.411448
where:
bonds (distance) C4'-P energy: -42.962
bonds (distance) P-C4' energy: -49.116
flat angles C4'-P-C4' energy: -54.982
flat angles P-C4'-P energy: -26.703
tors. eta vs tors. theta energy: -20.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -973.249767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.249767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.249767 (E_RNA)
where:
Base-Base interactions energy: -675.514
where: short stacking energy: -271.566
Base-Backbone interact. energy: -3.296
local terms energy: -294.439370
where:
bonds (distance) C4'-P energy: -51.732
bonds (distance) P-C4' energy: -62.974
flat angles C4'-P-C4' energy: -61.935
flat angles P-C4'-P energy: -41.735
tors. eta vs tors. theta energy: -76.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -964.189422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.189422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.189422 (E_RNA)
where:
Base-Base interactions energy: -670.720
where: short stacking energy: -269.854
Base-Backbone interact. energy: -1.201
local terms energy: -292.267974
where:
bonds (distance) C4'-P energy: -53.102
bonds (distance) P-C4' energy: -54.664
flat angles C4'-P-C4' energy: -61.420
flat angles P-C4'-P energy: -42.281
tors. eta vs tors. theta energy: -80.800
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: 3, replica: 10
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -926.322477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.322477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.322477 (E_RNA)
where:
Base-Base interactions energy: -638.224
where: short stacking energy: -255.350
Base-Backbone interact. energy: -1.773
local terms energy: -286.325895
where:
bonds (distance) C4'-P energy: -54.722
bonds (distance) P-C4' energy: -52.610
flat angles C4'-P-C4' energy: -62.372
flat angles P-C4'-P energy: -40.361
tors. eta vs tors. theta energy: -76.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -854.582077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.582077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.582077 (E_RNA)
where:
Base-Base interactions energy: -585.637
where: short stacking energy: -249.706
Base-Backbone interact. energy: 2.381
local terms energy: -271.326192
where:
bonds (distance) C4'-P energy: -50.148
bonds (distance) P-C4' energy: -47.373
flat angles C4'-P-C4' energy: -56.433
flat angles P-C4'-P energy: -44.987
tors. eta vs tors. theta energy: -72.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -810.260924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.260924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.260924 (E_RNA)
where:
Base-Base interactions energy: -563.393
where: short stacking energy: -235.488
Base-Backbone interact. energy: 1.484
local terms energy: -248.351439
where:
bonds (distance) C4'-P energy: -57.293
bonds (distance) P-C4' energy: -48.182
flat angles C4'-P-C4' energy: -51.563
flat angles P-C4'-P energy: -33.804
tors. eta vs tors. theta energy: -57.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -782.764653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.764653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.764653 (E_RNA)
where:
Base-Base interactions energy: -549.004
where: short stacking energy: -231.108
Base-Backbone interact. energy: 0.485
local terms energy: -234.245565
where:
bonds (distance) C4'-P energy: -40.991
bonds (distance) P-C4' energy: -42.155
flat angles C4'-P-C4' energy: -50.601
flat angles P-C4'-P energy: -35.208
tors. eta vs tors. theta energy: -65.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -723.334796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.334796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.334796 (E_RNA)
where:
Base-Base interactions energy: -524.909
where: short stacking energy: -204.906
Base-Backbone interact. energy: -0.717
local terms energy: -197.708383
where:
bonds (distance) C4'-P energy: -34.585
bonds (distance) P-C4' energy: -42.653
flat angles C4'-P-C4' energy: -45.366
flat angles P-C4'-P energy: -25.606
tors. eta vs tors. theta energy: -49.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -600.135376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.135376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.135376 (E_RNA)
where:
Base-Base interactions energy: -392.038
where: short stacking energy: -163.277
Base-Backbone interact. energy: 0.190
local terms energy: -208.287843
where:
bonds (distance) C4'-P energy: -40.080
bonds (distance) P-C4' energy: -58.266
flat angles C4'-P-C4' energy: -39.921
flat angles P-C4'-P energy: -37.412
tors. eta vs tors. theta energy: -32.608
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: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -526.004627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.004627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.004627 (E_RNA)
where:
Base-Base interactions energy: -336.487
where: short stacking energy: -154.446
Base-Backbone interact. energy: 0.496
local terms energy: -190.014093
where:
bonds (distance) C4'-P energy: -36.230
bonds (distance) P-C4' energy: -40.321
flat angles C4'-P-C4' energy: -48.707
flat angles P-C4'-P energy: -32.259
tors. eta vs tors. theta energy: -32.498
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: 3
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -481.807907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.807907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.807907 (E_RNA)
where:
Base-Base interactions energy: -292.297
where: short stacking energy: -130.786
Base-Backbone interact. energy: -1.979
local terms energy: -187.531485
where:
bonds (distance) C4'-P energy: -48.771
bonds (distance) P-C4' energy: -43.642
flat angles C4'-P-C4' energy: -41.318
flat angles P-C4'-P energy: -24.352
tors. eta vs tors. theta energy: -29.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -961.795680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.795680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.795680 (E_RNA)
where:
Base-Base interactions energy: -677.677
where: short stacking energy: -268.208
Base-Backbone interact. energy: -2.389
local terms energy: -281.730566
where:
bonds (distance) C4'-P energy: -53.649
bonds (distance) P-C4' energy: -47.622
flat angles C4'-P-C4' energy: -60.010
flat angles P-C4'-P energy: -37.534
tors. eta vs tors. theta energy: -82.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -931.199246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.199246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.199246 (E_RNA)
where:
Base-Base interactions energy: -659.498
where: short stacking energy: -264.652
Base-Backbone interact. energy: -1.007
local terms energy: -270.694071
where:
bonds (distance) C4'-P energy: -54.043
bonds (distance) P-C4' energy: -50.960
flat angles C4'-P-C4' energy: -54.552
flat angles P-C4'-P energy: -39.510
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: 3, replica: 10
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -895.603352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.603352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.603352 (E_RNA)
where:
Base-Base interactions energy: -632.523
where: short stacking energy: -256.223
Base-Backbone interact. energy: -0.574
local terms energy: -262.506286
where:
bonds (distance) C4'-P energy: -44.015
bonds (distance) P-C4' energy: -54.212
flat angles C4'-P-C4' energy: -56.708
flat angles P-C4'-P energy: -41.337
tors. eta vs tors. theta energy: -66.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -873.456505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.456505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.456505 (E_RNA)
where:
Base-Base interactions energy: -587.821
where: short stacking energy: -251.015
Base-Backbone interact. energy: -1.918
local terms energy: -283.717094
where:
bonds (distance) C4'-P energy: -45.157
bonds (distance) P-C4' energy: -58.825
flat angles C4'-P-C4' energy: -56.223
flat angles P-C4'-P energy: -39.088
tors. eta vs tors. theta energy: -84.424
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: 202
Temperature: 1.100000
Total energy: -799.584958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.584958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.584958 (E_RNA)
where:
Base-Base interactions energy: -564.522
where: short stacking energy: -221.483
Base-Backbone interact. energy: 0.864
local terms energy: -235.926404
where:
bonds (distance) C4'-P energy: -53.218
bonds (distance) P-C4' energy: -47.461
flat angles C4'-P-C4' energy: -51.785
flat angles P-C4'-P energy: -24.721
tors. eta vs tors. theta energy: -58.741
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: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -803.014386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.014386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.014386 (E_RNA)
where:
Base-Base interactions energy: -559.834
where: short stacking energy: -226.637
Base-Backbone interact. energy: -0.983
local terms energy: -242.198305
where:
bonds (distance) C4'-P energy: -46.601
bonds (distance) P-C4' energy: -52.580
flat angles C4'-P-C4' energy: -48.617
flat angles P-C4'-P energy: -35.051
tors. eta vs tors. theta energy: -59.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -715.700618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.700618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.700618 (E_RNA)
where:
Base-Base interactions energy: -494.132
where: short stacking energy: -205.231
Base-Backbone interact. energy: -2.732
local terms energy: -218.836677
where:
bonds (distance) C4'-P energy: -49.867
bonds (distance) P-C4' energy: -42.973
flat angles C4'-P-C4' energy: -49.032
flat angles P-C4'-P energy: -30.666
tors. eta vs tors. theta energy: -46.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -599.348104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.348104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.348104 (E_RNA)
where:
Base-Base interactions energy: -383.190
where: short stacking energy: -168.263
Base-Backbone interact. energy: -2.043
local terms energy: -214.114895
where:
bonds (distance) C4'-P energy: -33.565
bonds (distance) P-C4' energy: -56.670
flat angles C4'-P-C4' energy: -48.998
flat angles P-C4'-P energy: -39.635
tors. eta vs tors. theta energy: -35.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -540.488003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.488003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.488003 (E_RNA)
where:
Base-Base interactions energy: -341.479
where: short stacking energy: -163.093
Base-Backbone interact. energy: -1.412
local terms energy: -197.597040
where:
bonds (distance) C4'-P energy: -40.825
bonds (distance) P-C4' energy: -51.124
flat angles C4'-P-C4' energy: -50.717
flat angles P-C4'-P energy: -26.439
tors. eta vs tors. theta energy: -28.492
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: 3
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -495.159158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.159158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.159158 (E_RNA)
where:
Base-Base interactions energy: -324.141
where: short stacking energy: -140.101
Base-Backbone interact. energy: -0.088
local terms energy: -170.930563
where:
bonds (distance) C4'-P energy: -45.474
bonds (distance) P-C4' energy: -46.313
flat angles C4'-P-C4' energy: -32.438
flat angles P-C4'-P energy: -26.746
tors. eta vs tors. theta energy: -19.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -985.159763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.159763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.159763 (E_RNA)
where:
Base-Base interactions energy: -692.199
where: short stacking energy: -275.892
Base-Backbone interact. energy: -4.347
local terms energy: -288.614014
where:
bonds (distance) C4'-P energy: -54.914
bonds (distance) P-C4' energy: -53.392
flat angles C4'-P-C4' energy: -57.226
flat angles P-C4'-P energy: -39.072
tors. eta vs tors. theta energy: -84.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -937.405925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.405925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.405925 (E_RNA)
where:
Base-Base interactions energy: -668.975
where: short stacking energy: -274.289
Base-Backbone interact. energy: -3.044
local terms energy: -265.386792
where:
bonds (distance) C4'-P energy: -52.214
bonds (distance) P-C4' energy: -51.891
flat angles C4'-P-C4' energy: -51.235
flat angles P-C4'-P energy: -31.852
tors. eta vs tors. theta energy: -78.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -927.389818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.389818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.389818 (E_RNA)
where:
Base-Base interactions energy: -647.162
where: short stacking energy: -263.553
Base-Backbone interact. energy: -1.581
local terms energy: -278.647522
where:
bonds (distance) C4'-P energy: -47.677
bonds (distance) P-C4' energy: -56.559
flat angles C4'-P-C4' energy: -59.234
flat angles P-C4'-P energy: -43.917
tors. eta vs tors. theta energy: -71.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -850.246748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.246748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.246748 (E_RNA)
where:
Base-Base interactions energy: -581.918
where: short stacking energy: -253.869
Base-Backbone interact. energy: -0.074
local terms energy: -268.254754
where:
bonds (distance) C4'-P energy: -52.119
bonds (distance) P-C4' energy: -50.126
flat angles C4'-P-C4' energy: -53.502
flat angles P-C4'-P energy: -39.402
tors. eta vs tors. theta energy: -73.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -786.219271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.219271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.219271 (E_RNA)
where:
Base-Base interactions energy: -551.543
where: short stacking energy: -222.119
Base-Backbone interact. energy: -0.644
local terms energy: -234.032049
where:
bonds (distance) C4'-P energy: -53.871
bonds (distance) P-C4' energy: -43.933
flat angles C4'-P-C4' energy: -51.015
flat angles P-C4'-P energy: -31.517
tors. eta vs tors. theta energy: -53.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -807.118292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.118292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.118292 (E_RNA)
where:
Base-Base interactions energy: -565.776
where: short stacking energy: -228.356
Base-Backbone interact. energy: -3.399
local terms energy: -237.943398
where:
bonds (distance) C4'-P energy: -44.129
bonds (distance) P-C4' energy: -47.972
flat angles C4'-P-C4' energy: -55.043
flat angles P-C4'-P energy: -32.937
tors. eta vs tors. theta energy: -57.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -702.253475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.253475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.253475 (E_RNA)
where:
Base-Base interactions energy: -497.002
where: short stacking energy: -190.719
Base-Backbone interact. energy: -2.367
local terms energy: -202.884315
where:
bonds (distance) C4'-P energy: -43.840
bonds (distance) P-C4' energy: -47.251
flat angles C4'-P-C4' energy: -37.298
flat angles P-C4'-P energy: -26.809
tors. eta vs tors. theta energy: -47.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -626.452491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.452491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.452491 (E_RNA)
where:
Base-Base interactions energy: -397.758
where: short stacking energy: -176.751
Base-Backbone interact. energy: -0.485
local terms energy: -228.209635
where:
bonds (distance) C4'-P energy: -41.919
bonds (distance) P-C4' energy: -51.630
flat angles C4'-P-C4' energy: -53.501
flat angles P-C4'-P energy: -33.640
tors. eta vs tors. theta energy: -47.520
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: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -585.347425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.347425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.347425 (E_RNA)
where:
Base-Base interactions energy: -375.686
where: short stacking energy: -175.523
Base-Backbone interact. energy: 1.419
local terms energy: -211.080599
where:
bonds (distance) C4'-P energy: -49.051
bonds (distance) P-C4' energy: -44.649
flat angles C4'-P-C4' energy: -51.245
flat angles P-C4'-P energy: -32.542
tors. eta vs tors. theta energy: -33.594
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: 10, replica: 3
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -479.301231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.301231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.301231 (E_RNA)
where:
Base-Base interactions energy: -285.788
where: short stacking energy: -120.713
Base-Backbone interact. energy: 0.464
local terms energy: -193.977019
where:
bonds (distance) C4'-P energy: -36.020
bonds (distance) P-C4' energy: -49.731
flat angles C4'-P-C4' energy: -48.569
flat angles P-C4'-P energy: -30.926
tors. eta vs tors. theta energy: -28.732
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: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -990.128864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.128864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.128864 (E_RNA)
where:
Base-Base interactions energy: -705.676
where: short stacking energy: -277.699
Base-Backbone interact. energy: -0.193
local terms energy: -284.259726
where:
bonds (distance) C4'-P energy: -55.129
bonds (distance) P-C4' energy: -51.936
flat angles C4'-P-C4' energy: -50.238
flat angles P-C4'-P energy: -45.611
tors. eta vs tors. theta energy: -81.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -942.819125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.819125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.819125 (E_RNA)
where:
Base-Base interactions energy: -662.450
where: short stacking energy: -279.225
Base-Backbone interact. energy: -2.191
local terms energy: -278.177405
where:
bonds (distance) C4'-P energy: -48.326
bonds (distance) P-C4' energy: -48.299
flat angles C4'-P-C4' energy: -61.130
flat angles P-C4'-P energy: -39.413
tors. eta vs tors. theta energy: -81.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -932.319538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.319538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.319538 (E_RNA)
where:
Base-Base interactions energy: -659.511
where: short stacking energy: -283.705
Base-Backbone interact. energy: -1.675
local terms energy: -271.133909
where:
bonds (distance) C4'-P energy: -51.387
bonds (distance) P-C4' energy: -42.738
flat angles C4'-P-C4' energy: -62.621
flat angles P-C4'-P energy: -37.717
tors. eta vs tors. theta energy: -76.670
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: 6
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -851.397625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.397625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.397625 (E_RNA)
where:
Base-Base interactions energy: -587.631
where: short stacking energy: -219.053
Base-Backbone interact. energy: -0.818
local terms energy: -262.948967
where:
bonds (distance) C4'-P energy: -45.859
bonds (distance) P-C4' energy: -49.503
flat angles C4'-P-C4' energy: -58.430
flat angles P-C4'-P energy: -36.728
tors. eta vs tors. theta energy: -72.429
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: 5
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -796.526263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.526263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.526263 (E_RNA)
where:
Base-Base interactions energy: -552.256
where: short stacking energy: -224.958
Base-Backbone interact. energy: -0.114
local terms energy: -244.156487
where:
bonds (distance) C4'-P energy: -46.600
bonds (distance) P-C4' energy: -51.767
flat angles C4'-P-C4' energy: -52.521
flat angles P-C4'-P energy: -34.180
tors. eta vs tors. theta energy: -59.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -787.800134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.800134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.800134 (E_RNA)
where:
Base-Base interactions energy: -537.719
where: short stacking energy: -214.031
Base-Backbone interact. energy: -1.031
local terms energy: -249.050212
where:
bonds (distance) C4'-P energy: -49.565
bonds (distance) P-C4' energy: -58.723
flat angles C4'-P-C4' energy: -54.011
flat angles P-C4'-P energy: -32.664
tors. eta vs tors. theta energy: -54.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -736.532054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.532054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.532054 (E_RNA)
where:
Base-Base interactions energy: -505.725
where: short stacking energy: -199.575
Base-Backbone interact. energy: -0.977
local terms energy: -229.829552
where:
bonds (distance) C4'-P energy: -44.826
bonds (distance) P-C4' energy: -52.727
flat angles C4'-P-C4' energy: -47.633
flat angles P-C4'-P energy: -31.083
tors. eta vs tors. theta energy: -53.561
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: 8
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -634.854840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.854840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.854840 (E_RNA)
where:
Base-Base interactions energy: -435.459
where: short stacking energy: -193.871
Base-Backbone interact. energy: 0.255
local terms energy: -199.650439
where:
bonds (distance) C4'-P energy: -51.784
bonds (distance) P-C4' energy: -43.084
flat angles C4'-P-C4' energy: -38.998
flat angles P-C4'-P energy: -25.413
tors. eta vs tors. theta energy: -40.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -635.764387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.764387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.764387 (E_RNA)
where:
Base-Base interactions energy: -442.659
where: short stacking energy: -171.243
Base-Backbone interact. energy: -2.420
local terms energy: -190.684595
where:
bonds (distance) C4'-P energy: -35.210
bonds (distance) P-C4' energy: -46.321
flat angles C4'-P-C4' energy: -41.943
flat angles P-C4'-P energy: -29.747
tors. eta vs tors. theta energy: -37.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -487.412074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.412074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.412074 (E_RNA)
where:
Base-Base interactions energy: -308.549
where: short stacking energy: -130.704
Base-Backbone interact. energy: 0.220
local terms energy: -179.083744
where:
bonds (distance) C4'-P energy: -37.281
bonds (distance) P-C4' energy: -37.738
flat angles C4'-P-C4' energy: -59.590
flat angles P-C4'-P energy: -17.656
tors. eta vs tors. theta energy: -26.817
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: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -999.068982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.068982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.068982 (E_RNA)
where:
Base-Base interactions energy: -683.238
where: short stacking energy: -278.770
Base-Backbone interact. energy: -2.155
local terms energy: -313.676460
where:
bonds (distance) C4'-P energy: -60.167
bonds (distance) P-C4' energy: -59.444
flat angles C4'-P-C4' energy: -60.360
flat angles P-C4'-P energy: -47.237
tors. eta vs tors. theta energy: -86.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -949.411207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.411207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.411207 (E_RNA)
where:
Base-Base interactions energy: -663.002
where: short stacking energy: -277.985
Base-Backbone interact. energy: -1.445
local terms energy: -284.963652
where:
bonds (distance) C4'-P energy: -51.559
bonds (distance) P-C4' energy: -49.848
flat angles C4'-P-C4' energy: -58.105
flat angles P-C4'-P energy: -43.967
tors. eta vs tors. theta energy: -81.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -920.362055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.362055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.362055 (E_RNA)
where:
Base-Base interactions energy: -648.666
where: short stacking energy: -259.951
Base-Backbone interact. energy: -1.817
local terms energy: -269.879029
where:
bonds (distance) C4'-P energy: -44.480
bonds (distance) P-C4' energy: -51.331
flat angles C4'-P-C4' energy: -59.653
flat angles P-C4'-P energy: -41.735
tors. eta vs tors. theta energy: -72.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -838.732984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.732984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.732984 (E_RNA)
where:
Base-Base interactions energy: -579.385
where: short stacking energy: -246.299
Base-Backbone interact. energy: 0.229
local terms energy: -259.577097
where:
bonds (distance) C4'-P energy: -46.455
bonds (distance) P-C4' energy: -42.216
flat angles C4'-P-C4' energy: -61.059
flat angles P-C4'-P energy: -37.170
tors. eta vs tors. theta energy: -72.677
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: 205
Temperature: 1.100000
Total energy: -790.984840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.984840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.984840 (E_RNA)
where:
Base-Base interactions energy: -558.008
where: short stacking energy: -232.320
Base-Backbone interact. energy: 1.725
local terms energy: -234.702170
where:
bonds (distance) C4'-P energy: -44.646
bonds (distance) P-C4' energy: -48.404
flat angles C4'-P-C4' energy: -47.676
flat angles P-C4'-P energy: -37.448
tors. eta vs tors. theta energy: -56.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -778.572622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.572622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.572622 (E_RNA)
where:
Base-Base interactions energy: -527.423
where: short stacking energy: -219.272
Base-Backbone interact. energy: -0.974
local terms energy: -250.175695
where:
bonds (distance) C4'-P energy: -55.151
bonds (distance) P-C4' energy: -41.990
flat angles C4'-P-C4' energy: -50.950
flat angles P-C4'-P energy: -38.005
tors. eta vs tors. theta energy: -64.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -761.437740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.437740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.437740 (E_RNA)
where:
Base-Base interactions energy: -529.377
where: short stacking energy: -215.786
Base-Backbone interact. energy: -1.075
local terms energy: -230.985304
where:
bonds (distance) C4'-P energy: -45.534
bonds (distance) P-C4' energy: -46.128
flat angles C4'-P-C4' energy: -48.080
flat angles P-C4'-P energy: -36.172
tors. eta vs tors. theta energy: -55.072
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: 9
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -682.015251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.015251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.015251 (E_RNA)
where:
Base-Base interactions energy: -452.268
where: short stacking energy: -189.589
Base-Backbone interact. energy: -1.208
local terms energy: -228.538987
where:
bonds (distance) C4'-P energy: -47.447
bonds (distance) P-C4' energy: -50.974
flat angles C4'-P-C4' energy: -42.039
flat angles P-C4'-P energy: -44.225
tors. eta vs tors. theta energy: -43.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -614.855073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.855073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.855073 (E_RNA)
where:
Base-Base interactions energy: -419.328
where: short stacking energy: -185.394
Base-Backbone interact. energy: -0.417
local terms energy: -195.110139
where:
bonds (distance) C4'-P energy: -40.628
bonds (distance) P-C4' energy: -45.871
flat angles C4'-P-C4' energy: -42.406
flat angles P-C4'-P energy: -25.176
tors. eta vs tors. theta energy: -41.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -509.136396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.136396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.136396 (E_RNA)
where:
Base-Base interactions energy: -331.922
where: short stacking energy: -156.794
Base-Backbone interact. energy: 0.925
local terms energy: -178.138715
where:
bonds (distance) C4'-P energy: -44.256
bonds (distance) P-C4' energy: -42.967
flat angles C4'-P-C4' energy: -37.312
flat angles P-C4'-P energy: -29.035
tors. eta vs tors. theta energy: -24.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -973.565555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.565555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.565555 (E_RNA)
where:
Base-Base interactions energy: -677.431
where: short stacking energy: -276.966
Base-Backbone interact. energy: -3.614
local terms energy: -292.520552
where:
bonds (distance) C4'-P energy: -56.020
bonds (distance) P-C4' energy: -54.854
flat angles C4'-P-C4' energy: -56.971
flat angles P-C4'-P energy: -40.757
tors. eta vs tors. theta energy: -83.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -958.731766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.731766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.731766 (E_RNA)
where:
Base-Base interactions energy: -677.733
where: short stacking energy: -274.544
Base-Backbone interact. energy: -0.450
local terms energy: -280.549387
where:
bonds (distance) C4'-P energy: -49.964
bonds (distance) P-C4' energy: -59.224
flat angles C4'-P-C4' energy: -53.348
flat angles P-C4'-P energy: -41.719
tors. eta vs tors. theta energy: -76.293
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: 10
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -936.657413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.657413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.657413 (E_RNA)
where:
Base-Base interactions energy: -673.397
where: short stacking energy: -271.686
Base-Backbone interact. energy: 0.455
local terms energy: -263.716151
where:
bonds (distance) C4'-P energy: -39.275
bonds (distance) P-C4' energy: -48.266
flat angles C4'-P-C4' energy: -57.580
flat angles P-C4'-P energy: -38.486
tors. eta vs tors. theta energy: -80.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -854.979289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.979289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.979289 (E_RNA)
where:
Base-Base interactions energy: -607.136
where: short stacking energy: -246.748
Base-Backbone interact. energy: -1.773
local terms energy: -246.070892
where:
bonds (distance) C4'-P energy: -43.010
bonds (distance) P-C4' energy: -45.424
flat angles C4'-P-C4' energy: -53.326
flat angles P-C4'-P energy: -40.137
tors. eta vs tors. theta energy: -64.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -810.115021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.115021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.115021 (E_RNA)
where:
Base-Base interactions energy: -551.838
where: short stacking energy: -241.368
Base-Backbone interact. energy: -0.073
local terms energy: -258.204596
where:
bonds (distance) C4'-P energy: -51.554
bonds (distance) P-C4' energy: -48.551
flat angles C4'-P-C4' energy: -58.341
flat angles P-C4'-P energy: -36.357
tors. eta vs tors. theta energy: -63.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -770.124321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.124321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.124321 (E_RNA)
where:
Base-Base interactions energy: -518.385
where: short stacking energy: -206.298
Base-Backbone interact. energy: -1.200
local terms energy: -250.540203
where:
bonds (distance) C4'-P energy: -52.210
bonds (distance) P-C4' energy: -58.724
flat angles C4'-P-C4' energy: -52.730
flat angles P-C4'-P energy: -30.735
tors. eta vs tors. theta energy: -56.141
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: 7, replica: 2
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -796.791471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.791471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.791471 (E_RNA)
where:
Base-Base interactions energy: -569.898
where: short stacking energy: -219.452
Base-Backbone interact. energy: -1.011
local terms energy: -225.882550
where:
bonds (distance) C4'-P energy: -43.023
bonds (distance) P-C4' energy: -56.348
flat angles C4'-P-C4' energy: -44.899
flat angles P-C4'-P energy: -36.021
tors. eta vs tors. theta energy: -45.591
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: 9
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -623.077446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.077446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.077446 (E_RNA)
where:
Base-Base interactions energy: -419.215
where: short stacking energy: -171.412
Base-Backbone interact. energy: -1.910
local terms energy: -201.952131
where:
bonds (distance) C4'-P energy: -38.539
bonds (distance) P-C4' energy: -43.310
flat angles C4'-P-C4' energy: -51.709
flat angles P-C4'-P energy: -34.597
tors. eta vs tors. theta energy: -33.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -577.539960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.539960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.539960 (E_RNA)
where:
Base-Base interactions energy: -371.054
where: short stacking energy: -161.840
Base-Backbone interact. energy: -0.462
local terms energy: -206.023927
where:
bonds (distance) C4'-P energy: -26.281
bonds (distance) P-C4' energy: -51.634
flat angles C4'-P-C4' energy: -48.721
flat angles P-C4'-P energy: -32.642
tors. eta vs tors. theta energy: -46.747
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: 3
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -491.439472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.439472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.439472 (E_RNA)
where:
Base-Base interactions energy: -314.121
where: short stacking energy: -139.026
Base-Backbone interact. energy: -0.964
local terms energy: -176.354428
where:
bonds (distance) C4'-P energy: -34.134
bonds (distance) P-C4' energy: -47.753
flat angles C4'-P-C4' energy: -59.405
flat angles P-C4'-P energy: -17.627
tors. eta vs tors. theta energy: -17.435
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: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -973.207011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.207011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.207011 (E_RNA)
where:
Base-Base interactions energy: -685.386
where: short stacking energy: -278.405
Base-Backbone interact. energy: -0.408
local terms energy: -287.412762
where:
bonds (distance) C4'-P energy: -52.190
bonds (distance) P-C4' energy: -53.178
flat angles C4'-P-C4' energy: -57.117
flat angles P-C4'-P energy: -39.650
tors. eta vs tors. theta energy: -85.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -962.111463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.111463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.111463 (E_RNA)
where:
Base-Base interactions energy: -661.031
where: short stacking energy: -264.555
Base-Backbone interact. energy: -4.001
local terms energy: -297.079297
where:
bonds (distance) C4'-P energy: -50.856
bonds (distance) P-C4' energy: -59.497
flat angles C4'-P-C4' energy: -65.890
flat angles P-C4'-P energy: -42.297
tors. eta vs tors. theta energy: -78.539
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: 1
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -918.364258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.364258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.364258 (E_RNA)
where:
Base-Base interactions energy: -653.840
where: short stacking energy: -265.325
Base-Backbone interact. energy: 0.536
local terms energy: -265.060832
where:
bonds (distance) C4'-P energy: -45.706
bonds (distance) P-C4' energy: -46.744
flat angles C4'-P-C4' energy: -57.680
flat angles P-C4'-P energy: -41.516
tors. eta vs tors. theta energy: -73.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -863.837000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.837000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.837000 (E_RNA)
where:
Base-Base interactions energy: -604.713
where: short stacking energy: -258.966
Base-Backbone interact. energy: 0.292
local terms energy: -259.416163
where:
bonds (distance) C4'-P energy: -44.782
bonds (distance) P-C4' energy: -54.916
flat angles C4'-P-C4' energy: -55.435
flat angles P-C4'-P energy: -35.236
tors. eta vs tors. theta energy: -69.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -776.832806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.832806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.832806 (E_RNA)
where:
Base-Base interactions energy: -530.892
where: short stacking energy: -234.793
Base-Backbone interact. energy: -0.423
local terms energy: -245.517874
where:
bonds (distance) C4'-P energy: -44.866
bonds (distance) P-C4' energy: -48.910
flat angles C4'-P-C4' energy: -52.901
flat angles P-C4'-P energy: -39.381
tors. eta vs tors. theta energy: -59.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -775.457417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.457417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.457417 (E_RNA)
where:
Base-Base interactions energy: -543.140
where: short stacking energy: -217.995
Base-Backbone interact. energy: 1.770
local terms energy: -234.087942
where:
bonds (distance) C4'-P energy: -48.928
bonds (distance) P-C4' energy: -45.864
flat angles C4'-P-C4' energy: -48.764
flat angles P-C4'-P energy: -37.598
tors. eta vs tors. theta energy: -52.934
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: 5
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -752.008772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.008772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.008772 (E_RNA)
where:
Base-Base interactions energy: -516.290
where: short stacking energy: -216.399
Base-Backbone interact. energy: -0.653
local terms energy: -235.065257
where:
bonds (distance) C4'-P energy: -40.959
bonds (distance) P-C4' energy: -44.462
flat angles C4'-P-C4' energy: -55.846
flat angles P-C4'-P energy: -36.389
tors. eta vs tors. theta energy: -57.409
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: 9
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -658.040530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.040530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.040530 (E_RNA)
where:
Base-Base interactions energy: -444.697
where: short stacking energy: -201.770
Base-Backbone interact. energy: -2.539
local terms energy: -210.804438
where:
bonds (distance) C4'-P energy: -41.191
bonds (distance) P-C4' energy: -50.478
flat angles C4'-P-C4' energy: -50.832
flat angles P-C4'-P energy: -24.636
tors. eta vs tors. theta energy: -43.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -522.478788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.478788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.478788 (E_RNA)
where:
Base-Base interactions energy: -333.750
where: short stacking energy: -151.376
Base-Backbone interact. energy: -0.876
local terms energy: -187.852685
where:
bonds (distance) C4'-P energy: -44.414
bonds (distance) P-C4' energy: -43.501
flat angles C4'-P-C4' energy: -39.218
flat angles P-C4'-P energy: -31.338
tors. eta vs tors. theta energy: -29.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -470.053949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.053949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.053949 (E_RNA)
where:
Base-Base interactions energy: -292.079
where: short stacking energy: -135.179
Base-Backbone interact. energy: 0.782
local terms energy: -178.757786
where:
bonds (distance) C4'-P energy: -45.313
bonds (distance) P-C4' energy: -43.168
flat angles C4'-P-C4' energy: -40.221
flat angles P-C4'-P energy: -20.705
tors. eta vs tors. theta energy: -29.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -978.129515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.129515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.129515 (E_RNA)
where:
Base-Base interactions energy: -678.575
where: short stacking energy: -267.180
Base-Backbone interact. energy: -3.454
local terms energy: -296.100823
where:
bonds (distance) C4'-P energy: -56.715
bonds (distance) P-C4' energy: -48.425
flat angles C4'-P-C4' energy: -61.640
flat angles P-C4'-P energy: -47.200
tors. eta vs tors. theta energy: -82.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -965.540873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.540873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.540873 (E_RNA)
where:
Base-Base interactions energy: -671.045
where: short stacking energy: -284.286
Base-Backbone interact. energy: 1.510
local terms energy: -296.005667
where:
bonds (distance) C4'-P energy: -57.461
bonds (distance) P-C4' energy: -53.792
flat angles C4'-P-C4' energy: -61.046
flat angles P-C4'-P energy: -41.558
tors. eta vs tors. theta energy: -82.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -911.693399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.693399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.693399 (E_RNA)
where:
Base-Base interactions energy: -641.069
where: short stacking energy: -248.423
Base-Backbone interact. energy: -1.553
local terms energy: -269.071872
where:
bonds (distance) C4'-P energy: -50.738
bonds (distance) P-C4' energy: -53.262
flat angles C4'-P-C4' energy: -54.475
flat angles P-C4'-P energy: -38.999
tors. eta vs tors. theta energy: -71.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -886.531632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.531632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.531632 (E_RNA)
where:
Base-Base interactions energy: -608.992
where: short stacking energy: -262.004
Base-Backbone interact. energy: -0.075
local terms energy: -277.464082
where:
bonds (distance) C4'-P energy: -55.797
bonds (distance) P-C4' energy: -50.701
flat angles C4'-P-C4' energy: -51.200
flat angles P-C4'-P energy: -39.441
tors. eta vs tors. theta energy: -80.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -760.059163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.059163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.059163 (E_RNA)
where:
Base-Base interactions energy: -515.874
where: short stacking energy: -233.027
Base-Backbone interact. energy: -0.330
local terms energy: -243.855224
where:
bonds (distance) C4'-P energy: -44.474
bonds (distance) P-C4' energy: -44.702
flat angles C4'-P-C4' energy: -56.812
flat angles P-C4'-P energy: -35.466
tors. eta vs tors. theta energy: -62.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -740.132182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.132182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.132182 (E_RNA)
where:
Base-Base interactions energy: -519.210
where: short stacking energy: -205.670
Base-Backbone interact. energy: 1.450
local terms energy: -222.372381
where:
bonds (distance) C4'-P energy: -50.015
bonds (distance) P-C4' energy: -46.049
flat angles C4'-P-C4' energy: -57.939
flat angles P-C4'-P energy: -21.400
tors. eta vs tors. theta energy: -46.970
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: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -749.162927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.162927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.162927 (E_RNA)
where:
Base-Base interactions energy: -514.325
where: short stacking energy: -205.101
Base-Backbone interact. energy: -1.381
local terms energy: -233.456990
where:
bonds (distance) C4'-P energy: -50.778
bonds (distance) P-C4' energy: -40.502
flat angles C4'-P-C4' energy: -60.410
flat angles P-C4'-P energy: -30.732
tors. eta vs tors. theta energy: -51.035
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: 9
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -654.346636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.346636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.346636 (E_RNA)
where:
Base-Base interactions energy: -443.822
where: short stacking energy: -175.843
Base-Backbone interact. energy: -1.369
local terms energy: -209.155144
where:
bonds (distance) C4'-P energy: -39.594
bonds (distance) P-C4' energy: -47.296
flat angles C4'-P-C4' energy: -51.774
flat angles P-C4'-P energy: -27.410
tors. eta vs tors. theta energy: -43.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -584.537331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.537331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.537331 (E_RNA)
where:
Base-Base interactions energy: -400.431
where: short stacking energy: -165.522
Base-Backbone interact. energy: 0.061
local terms energy: -184.166824
where:
bonds (distance) C4'-P energy: -31.214
bonds (distance) P-C4' energy: -50.542
flat angles C4'-P-C4' energy: -40.881
flat angles P-C4'-P energy: -29.568
tors. eta vs tors. theta energy: -31.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -467.193557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.193557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.193557 (E_RNA)
where:
Base-Base interactions energy: -273.162
where: short stacking energy: -129.639
Base-Backbone interact. energy: -0.253
local terms energy: -193.778382
where:
bonds (distance) C4'-P energy: -51.720
bonds (distance) P-C4' energy: -54.660
flat angles C4'-P-C4' energy: -40.987
flat angles P-C4'-P energy: -27.261
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -965.936124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.936124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.936124 (E_RNA)
where:
Base-Base interactions energy: -674.796
where: short stacking energy: -274.267
Base-Backbone interact. energy: 5.109
local terms energy: -296.249443
where:
bonds (distance) C4'-P energy: -49.727
bonds (distance) P-C4' energy: -56.731
flat angles C4'-P-C4' energy: -60.645
flat angles P-C4'-P energy: -47.173
tors. eta vs tors. theta energy: -81.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -944.516828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.516828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.516828 (E_RNA)
where:
Base-Base interactions energy: -658.123
where: short stacking energy: -274.660
Base-Backbone interact. energy: -1.158
local terms energy: -285.235522
where:
bonds (distance) C4'-P energy: -50.161
bonds (distance) P-C4' energy: -50.962
flat angles C4'-P-C4' energy: -60.177
flat angles P-C4'-P energy: -44.819
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: 3, replica: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -937.427315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.427315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.427315 (E_RNA)
where:
Base-Base interactions energy: -671.906
where: short stacking energy: -265.866
Base-Backbone interact. energy: -2.671
local terms energy: -262.850098
where:
bonds (distance) C4'-P energy: -46.799
bonds (distance) P-C4' energy: -51.463
flat angles C4'-P-C4' energy: -50.706
flat angles P-C4'-P energy: -34.105
tors. eta vs tors. theta energy: -79.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -892.105138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.105138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.105138 (E_RNA)
where:
Base-Base interactions energy: -621.701
where: short stacking energy: -254.190
Base-Backbone interact. energy: -1.648
local terms energy: -268.756203
where:
bonds (distance) C4'-P energy: -54.853
bonds (distance) P-C4' energy: -43.276
flat angles C4'-P-C4' energy: -50.354
flat angles P-C4'-P energy: -42.241
tors. eta vs tors. theta energy: -78.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -748.123202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.123202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.123202 (E_RNA)
where:
Base-Base interactions energy: -516.811
where: short stacking energy: -225.364
Base-Backbone interact. energy: 1.228
local terms energy: -232.540359
where:
bonds (distance) C4'-P energy: -47.497
bonds (distance) P-C4' energy: -39.517
flat angles C4'-P-C4' energy: -59.373
flat angles P-C4'-P energy: -36.338
tors. eta vs tors. theta energy: -49.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -755.744012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.744012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.744012 (E_RNA)
where:
Base-Base interactions energy: -521.333
where: short stacking energy: -204.008
Base-Backbone interact. energy: -0.971
local terms energy: -233.440014
where:
bonds (distance) C4'-P energy: -48.482
bonds (distance) P-C4' energy: -43.378
flat angles C4'-P-C4' energy: -49.255
flat angles P-C4'-P energy: -31.869
tors. eta vs tors. theta energy: -60.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -713.274006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.274006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.274006 (E_RNA)
where:
Base-Base interactions energy: -506.380
where: short stacking energy: -199.046
Base-Backbone interact. energy: -2.123
local terms energy: -204.771455
where:
bonds (distance) C4'-P energy: -42.730
bonds (distance) P-C4' energy: -40.423
flat angles C4'-P-C4' energy: -43.845
flat angles P-C4'-P energy: -29.172
tors. eta vs tors. theta energy: -48.602
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: 9
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -663.107757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.107757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.107757 (E_RNA)
where:
Base-Base interactions energy: -449.449
where: short stacking energy: -187.153
Base-Backbone interact. energy: -1.337
local terms energy: -212.321702
where:
bonds (distance) C4'-P energy: -39.939
bonds (distance) P-C4' energy: -47.006
flat angles C4'-P-C4' energy: -52.717
flat angles P-C4'-P energy: -29.433
tors. eta vs tors. theta energy: -43.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -607.933879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.933879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.933879 (E_RNA)
where:
Base-Base interactions energy: -390.486
where: short stacking energy: -174.067
Base-Backbone interact. energy: -2.990
local terms energy: -214.457988
where:
bonds (distance) C4'-P energy: -43.395
bonds (distance) P-C4' energy: -39.623
flat angles C4'-P-C4' energy: -55.460
flat angles P-C4'-P energy: -33.935
tors. eta vs tors. theta energy: -42.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -455.414491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.414491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.414491 (E_RNA)
where:
Base-Base interactions energy: -284.490
where: short stacking energy: -133.133
Base-Backbone interact. energy: 0.094
local terms energy: -171.017968
where:
bonds (distance) C4'-P energy: -45.887
bonds (distance) P-C4' energy: -38.218
flat angles C4'-P-C4' energy: -32.348
flat angles P-C4'-P energy: -37.014
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -963.720168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.720168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.720168 (E_RNA)
where:
Base-Base interactions energy: -674.726
where: short stacking energy: -282.615
Base-Backbone interact. energy: 0.382
local terms energy: -289.375674
where:
bonds (distance) C4'-P energy: -46.637
bonds (distance) P-C4' energy: -56.928
flat angles C4'-P-C4' energy: -55.946
flat angles P-C4'-P energy: -48.626
tors. eta vs tors. theta energy: -81.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -980.263424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.263424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.263424 (E_RNA)
where:
Base-Base interactions energy: -679.901
where: short stacking energy: -277.242
Base-Backbone interact. energy: -2.306
local terms energy: -298.055657
where:
bonds (distance) C4'-P energy: -53.351
bonds (distance) P-C4' energy: -51.543
flat angles C4'-P-C4' energy: -63.468
flat angles P-C4'-P energy: -46.289
tors. eta vs tors. theta energy: -83.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -908.872092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.872092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.872092 (E_RNA)
where:
Base-Base interactions energy: -651.181
where: short stacking energy: -254.548
Base-Backbone interact. energy: -1.887
local terms energy: -255.803503
where:
bonds (distance) C4'-P energy: -49.215
bonds (distance) P-C4' energy: -49.006
flat angles C4'-P-C4' energy: -53.235
flat angles P-C4'-P energy: -39.146
tors. eta vs tors. theta energy: -65.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -880.263596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.263596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.263596 (E_RNA)
where:
Base-Base interactions energy: -618.838
where: short stacking energy: -251.169
Base-Backbone interact. energy: -1.570
local terms energy: -259.855490
where:
bonds (distance) C4'-P energy: -46.649
bonds (distance) P-C4' energy: -50.541
flat angles C4'-P-C4' energy: -50.354
flat angles P-C4'-P energy: -41.604
tors. eta vs tors. theta energy: -70.707
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: 5
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -801.341390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.341390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.341390 (E_RNA)
where:
Base-Base interactions energy: -555.983
where: short stacking energy: -226.014
Base-Backbone interact. energy: -2.499
local terms energy: -242.859731
where:
bonds (distance) C4'-P energy: -53.605
bonds (distance) P-C4' energy: -53.803
flat angles C4'-P-C4' energy: -49.547
flat angles P-C4'-P energy: -34.422
tors. eta vs tors. theta energy: -51.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -731.540946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.540946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.540946 (E_RNA)
where:
Base-Base interactions energy: -493.143
where: short stacking energy: -217.990
Base-Backbone interact. energy: -0.175
local terms energy: -238.223473
where:
bonds (distance) C4'-P energy: -49.066
bonds (distance) P-C4' energy: -56.158
flat angles C4'-P-C4' energy: -55.986
flat angles P-C4'-P energy: -32.143
tors. eta vs tors. theta energy: -44.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -684.881474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.881474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.881474 (E_RNA)
where:
Base-Base interactions energy: -442.069
where: short stacking energy: -207.783
Base-Backbone interact. energy: -0.604
local terms energy: -242.208623
where:
bonds (distance) C4'-P energy: -48.341
bonds (distance) P-C4' energy: -48.890
flat angles C4'-P-C4' energy: -51.736
flat angles P-C4'-P energy: -41.499
tors. eta vs tors. theta energy: -51.742
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: 2
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -709.667927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.667927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.667927 (E_RNA)
where:
Base-Base interactions energy: -507.508
where: short stacking energy: -212.365
Base-Backbone interact. energy: -0.314
local terms energy: -201.845926
where:
bonds (distance) C4'-P energy: -36.939
bonds (distance) P-C4' energy: -45.033
flat angles C4'-P-C4' energy: -46.674
flat angles P-C4'-P energy: -25.434
tors. eta vs tors. theta energy: -47.766
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: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -646.078010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.078010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.078010 (E_RNA)
where:
Base-Base interactions energy: -436.198
where: short stacking energy: -194.785
Base-Backbone interact. energy: -0.422
local terms energy: -209.458466
where:
bonds (distance) C4'-P energy: -43.774
bonds (distance) P-C4' energy: -43.703
flat angles C4'-P-C4' energy: -43.942
flat angles P-C4'-P energy: -25.458
tors. eta vs tors. theta energy: -52.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -464.126104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.126104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.126104 (E_RNA)
where:
Base-Base interactions energy: -285.456
where: short stacking energy: -138.650
Base-Backbone interact. energy: -2.437
local terms energy: -176.233969
where:
bonds (distance) C4'-P energy: -32.444
bonds (distance) P-C4' energy: -37.587
flat angles C4'-P-C4' energy: -43.843
flat angles P-C4'-P energy: -35.852
tors. eta vs tors. theta energy: -26.508
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: 1, replica: 10
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -977.196491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.196491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.196491 (E_RNA)
where:
Base-Base interactions energy: -681.639
where: short stacking energy: -274.439
Base-Backbone interact. energy: -0.211
local terms energy: -295.346508
where:
bonds (distance) C4'-P energy: -51.820
bonds (distance) P-C4' energy: -58.204
flat angles C4'-P-C4' energy: -63.315
flat angles P-C4'-P energy: -43.579
tors. eta vs tors. theta energy: -78.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -940.812272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.812272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.812272 (E_RNA)
where:
Base-Base interactions energy: -651.971
where: short stacking energy: -260.893
Base-Backbone interact. energy: -0.647
local terms energy: -288.194590
where:
bonds (distance) C4'-P energy: -45.972
bonds (distance) P-C4' energy: -60.190
flat angles C4'-P-C4' energy: -62.516
flat angles P-C4'-P energy: -40.886
tors. eta vs tors. theta energy: -78.631
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: 1
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -930.686006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.686006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.686006 (E_RNA)
where:
Base-Base interactions energy: -668.210
where: short stacking energy: -255.306
Base-Backbone interact. energy: -0.932
local terms energy: -261.544016
where:
bonds (distance) C4'-P energy: -50.593
bonds (distance) P-C4' energy: -57.448
flat angles C4'-P-C4' energy: -56.770
flat angles P-C4'-P energy: -30.540
tors. eta vs tors. theta energy: -66.194
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: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -863.797472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.797472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.797472 (E_RNA)
where:
Base-Base interactions energy: -600.803
where: short stacking energy: -249.585
Base-Backbone interact. energy: -0.520
local terms energy: -262.474173
where:
bonds (distance) C4'-P energy: -44.251
bonds (distance) P-C4' energy: -47.388
flat angles C4'-P-C4' energy: -56.838
flat angles P-C4'-P energy: -42.378
tors. eta vs tors. theta energy: -71.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -802.269334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.269334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.269334 (E_RNA)
where:
Base-Base interactions energy: -552.231
where: short stacking energy: -217.103
Base-Backbone interact. energy: -2.075
local terms energy: -247.963466
where:
bonds (distance) C4'-P energy: -57.044
bonds (distance) P-C4' energy: -54.040
flat angles C4'-P-C4' energy: -49.735
flat angles P-C4'-P energy: -30.943
tors. eta vs tors. theta energy: -56.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -731.318048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.318048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.318048 (E_RNA)
where:
Base-Base interactions energy: -500.603
where: short stacking energy: -205.715
Base-Backbone interact. energy: -0.852
local terms energy: -229.862283
where:
bonds (distance) C4'-P energy: -39.848
bonds (distance) P-C4' energy: -49.404
flat angles C4'-P-C4' energy: -57.166
flat angles P-C4'-P energy: -35.795
tors. eta vs tors. theta energy: -47.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -657.604655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.604655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.604655 (E_RNA)
where:
Base-Base interactions energy: -448.279
where: short stacking energy: -198.053
Base-Backbone interact. energy: -0.667
local terms energy: -208.659087
where:
bonds (distance) C4'-P energy: -43.742
bonds (distance) P-C4' energy: -45.395
flat angles C4'-P-C4' energy: -54.866
flat angles P-C4'-P energy: -25.288
tors. eta vs tors. theta energy: -39.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -701.355343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.355343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.355343 (E_RNA)
where:
Base-Base interactions energy: -498.751
where: short stacking energy: -201.801
Base-Backbone interact. energy: -1.132
local terms energy: -201.472103
where:
bonds (distance) C4'-P energy: -45.080
bonds (distance) P-C4' energy: -38.404
flat angles C4'-P-C4' energy: -40.176
flat angles P-C4'-P energy: -31.286
tors. eta vs tors. theta energy: -46.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -661.584095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.584095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.584095 (E_RNA)
where:
Base-Base interactions energy: -446.483
where: short stacking energy: -190.119
Base-Backbone interact. energy: -0.315
local terms energy: -214.786038
where:
bonds (distance) C4'-P energy: -40.574
bonds (distance) P-C4' energy: -39.944
flat angles C4'-P-C4' energy: -50.366
flat angles P-C4'-P energy: -37.797
tors. eta vs tors. theta energy: -46.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -469.528278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.528278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.528278 (E_RNA)
where:
Base-Base interactions energy: -293.723
where: short stacking energy: -131.928
Base-Backbone interact. energy: 0.563
local terms energy: -176.368263
where:
bonds (distance) C4'-P energy: -29.837
bonds (distance) P-C4' energy: -49.357
flat angles C4'-P-C4' energy: -48.361
flat angles P-C4'-P energy: -26.130
tors. eta vs tors. theta energy: -22.684
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: 1, replica: 10
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -989.833643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.833643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.833643 (E_RNA)
where:
Base-Base interactions energy: -693.536
where: short stacking energy: -282.474
Base-Backbone interact. energy: -1.036
local terms energy: -295.261390
where:
bonds (distance) C4'-P energy: -59.371
bonds (distance) P-C4' energy: -59.757
flat angles C4'-P-C4' energy: -56.297
flat angles P-C4'-P energy: -37.612
tors. eta vs tors. theta energy: -82.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -946.117649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.117649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.117649 (E_RNA)
where:
Base-Base interactions energy: -660.945
where: short stacking energy: -255.555
Base-Backbone interact. energy: -1.352
local terms energy: -283.821493
where:
bonds (distance) C4'-P energy: -57.558
bonds (distance) P-C4' energy: -53.701
flat angles C4'-P-C4' energy: -54.238
flat angles P-C4'-P energy: -42.318
tors. eta vs tors. theta energy: -76.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -925.641084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.641084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.641084 (E_RNA)
where:
Base-Base interactions energy: -643.016
where: short stacking energy: -261.715
Base-Backbone interact. energy: -0.444
local terms energy: -282.180553
where:
bonds (distance) C4'-P energy: -50.535
bonds (distance) P-C4' energy: -54.181
flat angles C4'-P-C4' energy: -62.987
flat angles P-C4'-P energy: -39.123
tors. eta vs tors. theta energy: -75.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -863.492910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.492910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.492910 (E_RNA)
where:
Base-Base interactions energy: -600.568
where: short stacking energy: -244.545
Base-Backbone interact. energy: -1.472
local terms energy: -261.453235
where:
bonds (distance) C4'-P energy: -50.466
bonds (distance) P-C4' energy: -42.244
flat angles C4'-P-C4' energy: -62.501
flat angles P-C4'-P energy: -38.526
tors. eta vs tors. theta energy: -67.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -795.972007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.972007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.972007 (E_RNA)
where:
Base-Base interactions energy: -552.486
where: short stacking energy: -234.285
Base-Backbone interact. energy: -2.574
local terms energy: -240.912134
where:
bonds (distance) C4'-P energy: -43.800
bonds (distance) P-C4' energy: -45.453
flat angles C4'-P-C4' energy: -54.821
flat angles P-C4'-P energy: -37.726
tors. eta vs tors. theta energy: -59.112
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: 6, replica: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -741.810659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.810659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.810659 (E_RNA)
where:
Base-Base interactions energy: -490.137
where: short stacking energy: -204.372
Base-Backbone interact. energy: -1.338
local terms energy: -250.335620
where:
bonds (distance) C4'-P energy: -55.610
bonds (distance) P-C4' energy: -53.429
flat angles C4'-P-C4' energy: -50.656
flat angles P-C4'-P energy: -36.330
tors. eta vs tors. theta energy: -54.312
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: 2
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -745.383037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.383037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.383037 (E_RNA)
where:
Base-Base interactions energy: -516.642
where: short stacking energy: -205.726
Base-Backbone interact. energy: 0.531
local terms energy: -229.272081
where:
bonds (distance) C4'-P energy: -50.164
bonds (distance) P-C4' energy: -38.280
flat angles C4'-P-C4' energy: -50.340
flat angles P-C4'-P energy: -32.856
tors. eta vs tors. theta energy: -57.632
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: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -620.769140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.769140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.769140 (E_RNA)
where:
Base-Base interactions energy: -414.096
where: short stacking energy: -179.469
Base-Backbone interact. energy: -1.430
local terms energy: -205.242624
where:
bonds (distance) C4'-P energy: -43.394
bonds (distance) P-C4' energy: -49.991
flat angles C4'-P-C4' energy: -39.365
flat angles P-C4'-P energy: -26.323
tors. eta vs tors. theta energy: -46.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -628.167711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.167711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.167711 (E_RNA)
where:
Base-Base interactions energy: -421.063
where: short stacking energy: -185.003
Base-Backbone interact. energy: 0.636
local terms energy: -207.740966
where:
bonds (distance) C4'-P energy: -46.970
bonds (distance) P-C4' energy: -36.942
flat angles C4'-P-C4' energy: -46.421
flat angles P-C4'-P energy: -27.477
tors. eta vs tors. theta energy: -49.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -429.808859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.808859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.808859 (E_RNA)
where:
Base-Base interactions energy: -269.405
where: short stacking energy: -125.343
Base-Backbone interact. energy: -0.709
local terms energy: -159.694899
where:
bonds (distance) C4'-P energy: -33.446
bonds (distance) P-C4' energy: -45.324
flat angles C4'-P-C4' energy: -35.542
flat angles P-C4'-P energy: -22.701
tors. eta vs tors. theta energy: -22.682
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: 10
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -996.975198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.975198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.975198 (E_RNA)
where:
Base-Base interactions energy: -681.596
where: short stacking energy: -276.750
Base-Backbone interact. energy: -3.024
local terms energy: -312.355043
where:
bonds (distance) C4'-P energy: -60.834
bonds (distance) P-C4' energy: -57.141
flat angles C4'-P-C4' energy: -63.506
flat angles P-C4'-P energy: -47.935
tors. eta vs tors. theta energy: -82.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -939.262299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.262299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.262299 (E_RNA)
where:
Base-Base interactions energy: -656.133
where: short stacking energy: -259.528
Base-Backbone interact. energy: 0.727
local terms energy: -283.856414
where:
bonds (distance) C4'-P energy: -54.533
bonds (distance) P-C4' energy: -51.831
flat angles C4'-P-C4' energy: -55.213
flat angles P-C4'-P energy: -40.630
tors. eta vs tors. theta energy: -81.649
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: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -922.183124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.183124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.183124 (E_RNA)
where:
Base-Base interactions energy: -639.534
where: short stacking energy: -249.290
Base-Backbone interact. energy: -0.101
local terms energy: -282.548213
where:
bonds (distance) C4'-P energy: -62.998
bonds (distance) P-C4' energy: -53.838
flat angles C4'-P-C4' energy: -51.282
flat angles P-C4'-P energy: -45.429
tors. eta vs tors. theta energy: -69.002
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: 6
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -855.385836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.385836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.385836 (E_RNA)
where:
Base-Base interactions energy: -599.182
where: short stacking energy: -255.543
Base-Backbone interact. energy: -1.134
local terms energy: -255.069421
where:
bonds (distance) C4'-P energy: -57.852
bonds (distance) P-C4' energy: -40.539
flat angles C4'-P-C4' energy: -55.145
flat angles P-C4'-P energy: -32.299
tors. eta vs tors. theta energy: -69.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -794.175938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.175938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.175938 (E_RNA)
where:
Base-Base interactions energy: -541.249
where: short stacking energy: -226.000
Base-Backbone interact. energy: -1.221
local terms energy: -251.705520
where:
bonds (distance) C4'-P energy: -47.324
bonds (distance) P-C4' energy: -51.347
flat angles C4'-P-C4' energy: -61.517
flat angles P-C4'-P energy: -31.115
tors. eta vs tors. theta energy: -60.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -756.613347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.613347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.613347 (E_RNA)
where:
Base-Base interactions energy: -517.964
where: short stacking energy: -200.780
Base-Backbone interact. energy: -1.629
local terms energy: -237.019996
where:
bonds (distance) C4'-P energy: -33.384
bonds (distance) P-C4' energy: -56.408
flat angles C4'-P-C4' energy: -55.696
flat angles P-C4'-P energy: -42.204
tors. eta vs tors. theta energy: -49.328
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: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -713.346847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.346847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.346847 (E_RNA)
where:
Base-Base interactions energy: -483.014
where: short stacking energy: -211.356
Base-Backbone interact. energy: -0.418
local terms energy: -229.915351
where:
bonds (distance) C4'-P energy: -41.746
bonds (distance) P-C4' energy: -38.936
flat angles C4'-P-C4' energy: -57.348
flat angles P-C4'-P energy: -38.489
tors. eta vs tors. theta energy: -53.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -659.244537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.244537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.244537 (E_RNA)
where:
Base-Base interactions energy: -439.097
where: short stacking energy: -181.545
Base-Backbone interact. energy: -1.773
local terms energy: -218.375196
where:
bonds (distance) C4'-P energy: -41.819
bonds (distance) P-C4' energy: -39.383
flat angles C4'-P-C4' energy: -50.394
flat angles P-C4'-P energy: -35.976
tors. eta vs tors. theta energy: -50.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -638.948007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.948007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.948007 (E_RNA)
where:
Base-Base interactions energy: -423.042
where: short stacking energy: -189.159
Base-Backbone interact. energy: -0.899
local terms energy: -215.007538
where:
bonds (distance) C4'-P energy: -32.189
bonds (distance) P-C4' energy: -54.355
flat angles C4'-P-C4' energy: -53.052
flat angles P-C4'-P energy: -29.347
tors. eta vs tors. theta energy: -46.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -464.578268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.578268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.578268 (E_RNA)
where:
Base-Base interactions energy: -307.396
where: short stacking energy: -143.930
Base-Backbone interact. energy: 0.751
local terms energy: -157.932439
where:
bonds (distance) C4'-P energy: -40.952
bonds (distance) P-C4' energy: -33.307
flat angles C4'-P-C4' energy: -39.448
flat angles P-C4'-P energy: -23.768
tors. eta vs tors. theta energy: -20.458
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: 10
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -986.821010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.821010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.821010 (E_RNA)
where:
Base-Base interactions energy: -686.978
where: short stacking energy: -284.667
Base-Backbone interact. energy: -1.994
local terms energy: -297.849602
where:
bonds (distance) C4'-P energy: -53.638
bonds (distance) P-C4' energy: -51.083
flat angles C4'-P-C4' energy: -68.505
flat angles P-C4'-P energy: -42.132
tors. eta vs tors. theta energy: -82.492
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: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -948.134053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.134053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.134053 (E_RNA)
where:
Base-Base interactions energy: -660.420
where: short stacking energy: -253.599
Base-Backbone interact. energy: -0.977
local terms energy: -286.737259
where:
bonds (distance) C4'-P energy: -57.151
bonds (distance) P-C4' energy: -55.963
flat angles C4'-P-C4' energy: -62.058
flat angles P-C4'-P energy: -37.834
tors. eta vs tors. theta energy: -73.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -917.389586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.389586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.389586 (E_RNA)
where:
Base-Base interactions energy: -656.185
where: short stacking energy: -267.168
Base-Backbone interact. energy: 1.122
local terms energy: -262.326556
where:
bonds (distance) C4'-P energy: -54.131
bonds (distance) P-C4' energy: -48.809
flat angles C4'-P-C4' energy: -58.204
flat angles P-C4'-P energy: -31.646
tors. eta vs tors. theta energy: -69.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -838.833896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.833896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.833896 (E_RNA)
where:
Base-Base interactions energy: -589.712
where: short stacking energy: -240.262
Base-Backbone interact. energy: -1.053
local terms energy: -248.068706
where:
bonds (distance) C4'-P energy: -48.911
bonds (distance) P-C4' energy: -40.513
flat angles C4'-P-C4' energy: -64.760
flat angles P-C4'-P energy: -29.485
tors. eta vs tors. theta energy: -64.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -827.764578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.764578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.764578 (E_RNA)
where:
Base-Base interactions energy: -577.045
where: short stacking energy: -236.851
Base-Backbone interact. energy: 0.545
local terms energy: -251.264806
where:
bonds (distance) C4'-P energy: -55.445
bonds (distance) P-C4' energy: -51.747
flat angles C4'-P-C4' energy: -51.565
flat angles P-C4'-P energy: -38.699
tors. eta vs tors. theta energy: -53.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -748.390749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.390749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.390749 (E_RNA)
where:
Base-Base interactions energy: -520.915
where: short stacking energy: -224.942
Base-Backbone interact. energy: -0.649
local terms energy: -226.826400
where:
bonds (distance) C4'-P energy: -39.385
bonds (distance) P-C4' energy: -42.628
flat angles C4'-P-C4' energy: -57.524
flat angles P-C4'-P energy: -31.957
tors. eta vs tors. theta energy: -55.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -699.208843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.208843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.208843 (E_RNA)
where:
Base-Base interactions energy: -475.349
where: short stacking energy: -202.056
Base-Backbone interact. energy: -1.438
local terms energy: -222.422296
where:
bonds (distance) C4'-P energy: -48.305
bonds (distance) P-C4' energy: -39.089
flat angles C4'-P-C4' energy: -47.483
flat angles P-C4'-P energy: -36.848
tors. eta vs tors. theta energy: -50.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -659.258270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.258270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.258270 (E_RNA)
where:
Base-Base interactions energy: -441.043
where: short stacking energy: -201.992
Base-Backbone interact. energy: -1.310
local terms energy: -216.904691
where:
bonds (distance) C4'-P energy: -39.168
bonds (distance) P-C4' energy: -34.588
flat angles C4'-P-C4' energy: -55.451
flat angles P-C4'-P energy: -34.286
tors. eta vs tors. theta energy: -53.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -579.911122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.911122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.911122 (E_RNA)
where:
Base-Base interactions energy: -395.840
where: short stacking energy: -165.520
Base-Backbone interact. energy: -1.385
local terms energy: -182.685665
where:
bonds (distance) C4'-P energy: -42.621
bonds (distance) P-C4' energy: -39.350
flat angles C4'-P-C4' energy: -51.508
flat angles P-C4'-P energy: -20.258
tors. eta vs tors. theta energy: -28.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -489.879021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.879021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.879021 (E_RNA)
where:
Base-Base interactions energy: -317.206
where: short stacking energy: -141.193
Base-Backbone interact. energy: -1.992
local terms energy: -170.681017
where:
bonds (distance) C4'-P energy: -44.133
bonds (distance) P-C4' energy: -40.783
flat angles C4'-P-C4' energy: -34.338
flat angles P-C4'-P energy: -25.529
tors. eta vs tors. theta energy: -25.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -996.617074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.617074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.617074 (E_RNA)
where:
Base-Base interactions energy: -696.913
where: short stacking energy: -269.074
Base-Backbone interact. energy: -1.878
local terms energy: -297.825418
where:
bonds (distance) C4'-P energy: -56.190
bonds (distance) P-C4' energy: -60.031
flat angles C4'-P-C4' energy: -63.237
flat angles P-C4'-P energy: -38.979
tors. eta vs tors. theta energy: -79.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -935.259928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.259928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.259928 (E_RNA)
where:
Base-Base interactions energy: -638.906
where: short stacking energy: -258.320
Base-Backbone interact. energy: -2.959
local terms energy: -293.394614
where:
bonds (distance) C4'-P energy: -55.355
bonds (distance) P-C4' energy: -57.043
flat angles C4'-P-C4' energy: -57.700
flat angles P-C4'-P energy: -42.428
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: 3, replica: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -918.768659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.768659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.768659 (E_RNA)
where:
Base-Base interactions energy: -647.084
where: short stacking energy: -260.293
Base-Backbone interact. energy: -0.417
local terms energy: -271.267095
where:
bonds (distance) C4'-P energy: -50.930
bonds (distance) P-C4' energy: -55.698
flat angles C4'-P-C4' energy: -58.994
flat angles P-C4'-P energy: -34.315
tors. eta vs tors. theta energy: -71.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -831.178961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.178961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.178961 (E_RNA)
where:
Base-Base interactions energy: -573.308
where: short stacking energy: -232.265
Base-Backbone interact. energy: -2.270
local terms energy: -255.601309
where:
bonds (distance) C4'-P energy: -45.875
bonds (distance) P-C4' energy: -51.921
flat angles C4'-P-C4' energy: -54.951
flat angles P-C4'-P energy: -43.121
tors. eta vs tors. theta energy: -59.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -853.748926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.748926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.748926 (E_RNA)
where:
Base-Base interactions energy: -587.936
where: short stacking energy: -256.536
Base-Backbone interact. energy: -0.410
local terms energy: -265.403764
where:
bonds (distance) C4'-P energy: -43.711
bonds (distance) P-C4' energy: -41.432
flat angles C4'-P-C4' energy: -60.872
flat angles P-C4'-P energy: -39.575
tors. eta vs tors. theta energy: -79.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -792.452369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.452369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.452369 (E_RNA)
where:
Base-Base interactions energy: -540.635
where: short stacking energy: -211.360
Base-Backbone interact. energy: 0.523
local terms energy: -252.339771
where:
bonds (distance) C4'-P energy: -53.020
bonds (distance) P-C4' energy: -47.545
flat angles C4'-P-C4' energy: -59.604
flat angles P-C4'-P energy: -40.165
tors. eta vs tors. theta energy: -52.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -701.605895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.605895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.605895 (E_RNA)
where:
Base-Base interactions energy: -472.468
where: short stacking energy: -202.390
Base-Backbone interact. energy: -0.482
local terms energy: -228.655564
where:
bonds (distance) C4'-P energy: -54.222
bonds (distance) P-C4' energy: -52.854
flat angles C4'-P-C4' energy: -38.853
flat angles P-C4'-P energy: -31.650
tors. eta vs tors. theta energy: -51.075
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: 215
Temperature: 1.250000
Total energy: -668.490951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.490951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.490951 (E_RNA)
where:
Base-Base interactions energy: -451.686
where: short stacking energy: -197.655
Base-Backbone interact. energy: -1.201
local terms energy: -215.603775
where:
bonds (distance) C4'-P energy: -44.796
bonds (distance) P-C4' energy: -40.259
flat angles C4'-P-C4' energy: -53.515
flat angles P-C4'-P energy: -33.113
tors. eta vs tors. theta energy: -43.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -613.641315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.641315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.641315 (E_RNA)
where:
Base-Base interactions energy: -410.704
where: short stacking energy: -185.452
Base-Backbone interact. energy: 0.808
local terms energy: -203.745244
where:
bonds (distance) C4'-P energy: -43.234
bonds (distance) P-C4' energy: -47.331
flat angles C4'-P-C4' energy: -42.038
flat angles P-C4'-P energy: -26.561
tors. eta vs tors. theta energy: -44.581
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: 3
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -506.402759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.402759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.402759 (E_RNA)
where:
Base-Base interactions energy: -319.070
where: short stacking energy: -131.691
Base-Backbone interact. energy: -0.074
local terms energy: -187.259542
where:
bonds (distance) C4'-P energy: -38.548
bonds (distance) P-C4' energy: -52.004
flat angles C4'-P-C4' energy: -53.052
flat angles P-C4'-P energy: -22.160
tors. eta vs tors. theta energy: -21.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -958.484446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.484446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.484446 (E_RNA)
where:
Base-Base interactions energy: -668.691
where: short stacking energy: -275.381
Base-Backbone interact. energy: -2.670
local terms energy: -287.123101
where:
bonds (distance) C4'-P energy: -50.800
bonds (distance) P-C4' energy: -51.733
flat angles C4'-P-C4' energy: -58.718
flat angles P-C4'-P energy: -45.053
tors. eta vs tors. theta energy: -80.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -946.678750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.678750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.678750 (E_RNA)
where:
Base-Base interactions energy: -656.523
where: short stacking energy: -269.172
Base-Backbone interact. energy: -0.811
local terms energy: -289.344531
where:
bonds (distance) C4'-P energy: -56.415
bonds (distance) P-C4' energy: -52.682
flat angles C4'-P-C4' energy: -65.472
flat angles P-C4'-P energy: -42.503
tors. eta vs tors. theta energy: -72.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -933.113317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.113317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.113317 (E_RNA)
where:
Base-Base interactions energy: -656.026
where: short stacking energy: -266.245
Base-Backbone interact. energy: -3.021
local terms energy: -274.066758
where:
bonds (distance) C4'-P energy: -60.419
bonds (distance) P-C4' energy: -52.245
flat angles C4'-P-C4' energy: -51.591
flat angles P-C4'-P energy: -40.026
tors. eta vs tors. theta energy: -69.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -838.371960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.371960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.371960 (E_RNA)
where:
Base-Base interactions energy: -587.694
where: short stacking energy: -251.200
Base-Backbone interact. energy: -2.425
local terms energy: -248.252735
where:
bonds (distance) C4'-P energy: -50.630
bonds (distance) P-C4' energy: -38.320
flat angles C4'-P-C4' energy: -54.355
flat angles P-C4'-P energy: -38.644
tors. eta vs tors. theta energy: -66.304
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: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -800.836568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.836568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.836568 (E_RNA)
where:
Base-Base interactions energy: -578.729
where: short stacking energy: -226.293
Base-Backbone interact. energy: 0.231
local terms energy: -222.339366
where:
bonds (distance) C4'-P energy: -50.089
bonds (distance) P-C4' energy: -41.985
flat angles C4'-P-C4' energy: -48.904
flat angles P-C4'-P energy: -30.017
tors. eta vs tors. theta energy: -51.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -834.137686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.137686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.137686 (E_RNA)
where:
Base-Base interactions energy: -574.311
where: short stacking energy: -236.567
Base-Backbone interact. energy: 0.654
local terms energy: -260.480497
where:
bonds (distance) C4'-P energy: -38.869
bonds (distance) P-C4' energy: -57.314
flat angles C4'-P-C4' energy: -51.751
flat angles P-C4'-P energy: -35.867
tors. eta vs tors. theta energy: -76.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -681.958326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.958326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.958326 (E_RNA)
where:
Base-Base interactions energy: -452.818
where: short stacking energy: -181.452
Base-Backbone interact. energy: -0.910
local terms energy: -228.229863
where:
bonds (distance) C4'-P energy: -46.226
bonds (distance) P-C4' energy: -46.708
flat angles C4'-P-C4' energy: -45.707
flat angles P-C4'-P energy: -34.013
tors. eta vs tors. theta energy: -55.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -636.401850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.401850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.401850 (E_RNA)
where:
Base-Base interactions energy: -430.974
where: short stacking energy: -192.917
Base-Backbone interact. energy: -1.670
local terms energy: -203.757559
where:
bonds (distance) C4'-P energy: -36.353
bonds (distance) P-C4' energy: -45.780
flat angles C4'-P-C4' energy: -51.991
flat angles P-C4'-P energy: -25.881
tors. eta vs tors. theta energy: -43.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -585.390310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.390310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.390310 (E_RNA)
where:
Base-Base interactions energy: -391.038
where: short stacking energy: -154.365
Base-Backbone interact. energy: -0.376
local terms energy: -193.976041
where:
bonds (distance) C4'-P energy: -42.950
bonds (distance) P-C4' energy: -47.691
flat angles C4'-P-C4' energy: -44.252
flat angles P-C4'-P energy: -32.605
tors. eta vs tors. theta energy: -26.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -479.554924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.554924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.554924 (E_RNA)
where:
Base-Base interactions energy: -294.937
where: short stacking energy: -134.737
Base-Backbone interact. energy: -2.179
local terms energy: -182.439048
where:
bonds (distance) C4'-P energy: -43.879
bonds (distance) P-C4' energy: -45.411
flat angles C4'-P-C4' energy: -35.879
flat angles P-C4'-P energy: -31.154
tors. eta vs tors. theta energy: -26.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -977.933239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.933239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.933239 (E_RNA)
where:
Base-Base interactions energy: -685.508
where: short stacking energy: -287.357
Base-Backbone interact. energy: -2.026
local terms energy: -290.399824
where:
bonds (distance) C4'-P energy: -54.111
bonds (distance) P-C4' energy: -50.853
flat angles C4'-P-C4' energy: -59.268
flat angles P-C4'-P energy: -40.872
tors. eta vs tors. theta energy: -85.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -946.253396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.253396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.253396 (E_RNA)
where:
Base-Base interactions energy: -657.374
where: short stacking energy: -265.111
Base-Backbone interact. energy: -2.202
local terms energy: -286.676655
where:
bonds (distance) C4'-P energy: -54.708
bonds (distance) P-C4' energy: -53.673
flat angles C4'-P-C4' energy: -63.466
flat angles P-C4'-P energy: -39.064
tors. eta vs tors. theta energy: -75.766
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: 10
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -950.528713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.528713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.528713 (E_RNA)
where:
Base-Base interactions energy: -674.594
where: short stacking energy: -278.372
Base-Backbone interact. energy: 0.601
local terms energy: -276.535757
where:
bonds (distance) C4'-P energy: -50.402
bonds (distance) P-C4' energy: -46.563
flat angles C4'-P-C4' energy: -62.686
flat angles P-C4'-P energy: -36.204
tors. eta vs tors. theta energy: -80.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -818.196257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.196257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.196257 (E_RNA)
where:
Base-Base interactions energy: -569.856
where: short stacking energy: -241.891
Base-Backbone interact. energy: 0.313
local terms energy: -248.652917
where:
bonds (distance) C4'-P energy: -46.558
bonds (distance) P-C4' energy: -53.512
flat angles C4'-P-C4' energy: -53.683
flat angles P-C4'-P energy: -33.028
tors. eta vs tors. theta energy: -61.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -800.854308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.854308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.854308 (E_RNA)
where:
Base-Base interactions energy: -546.133
where: short stacking energy: -218.565
Base-Backbone interact. energy: -0.142
local terms energy: -254.579462
where:
bonds (distance) C4'-P energy: -50.567
bonds (distance) P-C4' energy: -44.080
flat angles C4'-P-C4' energy: -60.193
flat angles P-C4'-P energy: -35.322
tors. eta vs tors. theta energy: -64.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -829.798285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.798285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.798285 (E_RNA)
where:
Base-Base interactions energy: -570.404
where: short stacking energy: -231.720
Base-Backbone interact. energy: -1.447
local terms energy: -257.946364
where:
bonds (distance) C4'-P energy: -47.287
bonds (distance) P-C4' energy: -56.388
flat angles C4'-P-C4' energy: -49.240
flat angles P-C4'-P energy: -37.534
tors. eta vs tors. theta energy: -67.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -691.953035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.953035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.953035 (E_RNA)
where:
Base-Base interactions energy: -469.594
where: short stacking energy: -205.597
Base-Backbone interact. energy: -0.878
local terms energy: -221.481340
where:
bonds (distance) C4'-P energy: -43.348
bonds (distance) P-C4' energy: -54.839
flat angles C4'-P-C4' energy: -47.088
flat angles P-C4'-P energy: -27.912
tors. eta vs tors. theta energy: -48.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -660.523429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.523429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.523429 (E_RNA)
where:
Base-Base interactions energy: -441.447
where: short stacking energy: -192.005
Base-Backbone interact. energy: -1.045
local terms energy: -218.031870
where:
bonds (distance) C4'-P energy: -48.320
bonds (distance) P-C4' energy: -43.810
flat angles C4'-P-C4' energy: -44.922
flat angles P-C4'-P energy: -27.978
tors. eta vs tors. theta energy: -53.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -608.744516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.744516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.744516 (E_RNA)
where:
Base-Base interactions energy: -404.688
where: short stacking energy: -175.953
Base-Backbone interact. energy: -0.512
local terms energy: -203.545322
where:
bonds (distance) C4'-P energy: -36.158
bonds (distance) P-C4' energy: -42.387
flat angles C4'-P-C4' energy: -49.011
flat angles P-C4'-P energy: -30.809
tors. eta vs tors. theta energy: -45.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -487.626803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.626803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.626803 (E_RNA)
where:
Base-Base interactions energy: -307.049
where: short stacking energy: -138.414
Base-Backbone interact. energy: 1.290
local terms energy: -181.868212
where:
bonds (distance) C4'-P energy: -44.257
bonds (distance) P-C4' energy: -34.894
flat angles C4'-P-C4' energy: -43.468
flat angles P-C4'-P energy: -35.702
tors. eta vs tors. theta energy: -23.547
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: 218
Temperature: 0.900000
Total energy: -977.381030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.381030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.381030 (E_RNA)
where:
Base-Base interactions energy: -689.666
where: short stacking energy: -288.269
Base-Backbone interact. energy: -0.657
local terms energy: -287.057112
where:
bonds (distance) C4'-P energy: -48.396
bonds (distance) P-C4' energy: -53.503
flat angles C4'-P-C4' energy: -65.172
flat angles P-C4'-P energy: -38.657
tors. eta vs tors. theta energy: -81.330
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: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -937.693602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.693602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.693602 (E_RNA)
where:
Base-Base interactions energy: -649.878
where: short stacking energy: -263.279
Base-Backbone interact. energy: -0.679
local terms energy: -287.135886
where:
bonds (distance) C4'-P energy: -58.295
bonds (distance) P-C4' energy: -57.623
flat angles C4'-P-C4' energy: -53.081
flat angles P-C4'-P energy: -40.147
tors. eta vs tors. theta energy: -77.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -939.541729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.541729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.541729 (E_RNA)
where:
Base-Base interactions energy: -646.146
where: short stacking energy: -266.210
Base-Backbone interact. energy: -2.332
local terms energy: -291.063877
where:
bonds (distance) C4'-P energy: -54.910
bonds (distance) P-C4' energy: -55.470
flat angles C4'-P-C4' energy: -57.832
flat angles P-C4'-P energy: -38.831
tors. eta vs tors. theta energy: -84.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -832.888530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.888530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.888530 (E_RNA)
where:
Base-Base interactions energy: -572.975
where: short stacking energy: -246.187
Base-Backbone interact. energy: 0.323
local terms energy: -260.236336
where:
bonds (distance) C4'-P energy: -40.297
bonds (distance) P-C4' energy: -49.148
flat angles C4'-P-C4' energy: -63.620
flat angles P-C4'-P energy: -40.437
tors. eta vs tors. theta energy: -66.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -823.855795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.855795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.855795 (E_RNA)
where:
Base-Base interactions energy: -565.996
where: short stacking energy: -226.768
Base-Backbone interact. energy: -2.025
local terms energy: -255.834106
where:
bonds (distance) C4'-P energy: -50.988
bonds (distance) P-C4' energy: -47.400
flat angles C4'-P-C4' energy: -59.682
flat angles P-C4'-P energy: -29.995
tors. eta vs tors. theta energy: -67.769
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: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -753.478692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.478692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.478692 (E_RNA)
where:
Base-Base interactions energy: -514.372
where: short stacking energy: -216.618
Base-Backbone interact. energy: -0.831
local terms energy: -238.275467
where:
bonds (distance) C4'-P energy: -48.191
bonds (distance) P-C4' energy: -47.660
flat angles C4'-P-C4' energy: -44.766
flat angles P-C4'-P energy: -38.016
tors. eta vs tors. theta energy: -59.643
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: 218
Temperature: 1.200000
Total energy: -672.690282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.690282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.690282 (E_RNA)
where:
Base-Base interactions energy: -450.515
where: short stacking energy: -202.735
Base-Backbone interact. energy: -1.502
local terms energy: -220.673420
where:
bonds (distance) C4'-P energy: -42.990
bonds (distance) P-C4' energy: -47.662
flat angles C4'-P-C4' energy: -60.946
flat angles P-C4'-P energy: -29.440
tors. eta vs tors. theta energy: -39.635
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: 218
Temperature: 1.250000
Total energy: -670.208984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.208984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.208984 (E_RNA)
where:
Base-Base interactions energy: -467.074
where: short stacking energy: -194.998
Base-Backbone interact. energy: 1.576
local terms energy: -204.711231
where:
bonds (distance) C4'-P energy: -39.423
bonds (distance) P-C4' energy: -34.210
flat angles C4'-P-C4' energy: -58.131
flat angles P-C4'-P energy: -34.967
tors. eta vs tors. theta energy: -37.980
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: 218
Temperature: 1.300000
Total energy: -609.354542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.354542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.354542 (E_RNA)
where:
Base-Base interactions energy: -395.708
where: short stacking energy: -169.471
Base-Backbone interact. energy: -0.971
local terms energy: -212.675392
where:
bonds (distance) C4'-P energy: -48.176
bonds (distance) P-C4' energy: -48.468
flat angles C4'-P-C4' energy: -51.689
flat angles P-C4'-P energy: -27.718
tors. eta vs tors. theta energy: -36.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -503.794925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.794925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.794925 (E_RNA)
where:
Base-Base interactions energy: -327.006
where: short stacking energy: -147.772
Base-Backbone interact. energy: 0.104
local terms energy: -176.893129
where:
bonds (distance) C4'-P energy: -33.957
bonds (distance) P-C4' energy: -47.986
flat angles C4'-P-C4' energy: -46.034
flat angles P-C4'-P energy: -26.639
tors. eta vs tors. theta energy: -22.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -983.663180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.663180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.663180 (E_RNA)
where:
Base-Base interactions energy: -694.914
where: short stacking energy: -280.857
Base-Backbone interact. energy: 0.089
local terms energy: -288.837957
where:
bonds (distance) C4'-P energy: -50.421
bonds (distance) P-C4' energy: -53.343
flat angles C4'-P-C4' energy: -61.840
flat angles P-C4'-P energy: -42.884
tors. eta vs tors. theta energy: -80.350
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: 2, replica: 10
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -921.071858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.071858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.071858 (E_RNA)
where:
Base-Base interactions energy: -652.044
where: short stacking energy: -258.944
Base-Backbone interact. energy: -0.656
local terms energy: -268.371104
where:
bonds (distance) C4'-P energy: -48.229
bonds (distance) P-C4' energy: -57.014
flat angles C4'-P-C4' energy: -54.667
flat angles P-C4'-P energy: -38.610
tors. eta vs tors. theta energy: -69.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -935.884129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.884129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.884129 (E_RNA)
where:
Base-Base interactions energy: -664.859
where: short stacking energy: -286.285
Base-Backbone interact. energy: -1.164
local terms energy: -269.861760
where:
bonds (distance) C4'-P energy: -45.711
bonds (distance) P-C4' energy: -48.638
flat angles C4'-P-C4' energy: -53.126
flat angles P-C4'-P energy: -39.963
tors. eta vs tors. theta energy: -82.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -835.862890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.862890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.862890 (E_RNA)
where:
Base-Base interactions energy: -570.207
where: short stacking energy: -227.037
Base-Backbone interact. energy: -0.946
local terms energy: -264.709275
where:
bonds (distance) C4'-P energy: -50.265
bonds (distance) P-C4' energy: -58.796
flat angles C4'-P-C4' energy: -53.996
flat angles P-C4'-P energy: -43.958
tors. eta vs tors. theta energy: -57.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -806.552118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.552118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.552118 (E_RNA)
where:
Base-Base interactions energy: -569.030
where: short stacking energy: -232.251
Base-Backbone interact. energy: -0.465
local terms energy: -237.056922
where:
bonds (distance) C4'-P energy: -53.802
bonds (distance) P-C4' energy: -45.206
flat angles C4'-P-C4' energy: -50.536
flat angles P-C4'-P energy: -29.138
tors. eta vs tors. theta energy: -58.375
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: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -698.468448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.468448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.468448 (E_RNA)
where:
Base-Base interactions energy: -477.203
where: short stacking energy: -204.954
Base-Backbone interact. energy: -0.363
local terms energy: -220.902365
where:
bonds (distance) C4'-P energy: -34.580
bonds (distance) P-C4' energy: -53.630
flat angles C4'-P-C4' energy: -46.013
flat angles P-C4'-P energy: -32.498
tors. eta vs tors. theta energy: -54.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -735.804248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.804248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.804248 (E_RNA)
where:
Base-Base interactions energy: -518.881
where: short stacking energy: -211.768
Base-Backbone interact. energy: -0.922
local terms energy: -216.001160
where:
bonds (distance) C4'-P energy: -37.207
bonds (distance) P-C4' energy: -44.337
flat angles C4'-P-C4' energy: -49.780
flat angles P-C4'-P energy: -31.403
tors. eta vs tors. theta energy: -53.273
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: 219
Temperature: 1.250000
Total energy: -623.999697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.999697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.999697 (E_RNA)
where:
Base-Base interactions energy: -421.278
where: short stacking energy: -181.797
Base-Backbone interact. energy: -2.245
local terms energy: -200.477188
where:
bonds (distance) C4'-P energy: -33.815
bonds (distance) P-C4' energy: -41.244
flat angles C4'-P-C4' energy: -52.609
flat angles P-C4'-P energy: -29.434
tors. eta vs tors. theta energy: -43.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -587.443671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.443671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.443671 (E_RNA)
where:
Base-Base interactions energy: -380.161
where: short stacking energy: -170.147
Base-Backbone interact. energy: -1.122
local terms energy: -206.160805
where:
bonds (distance) C4'-P energy: -46.363
bonds (distance) P-C4' energy: -43.152
flat angles C4'-P-C4' energy: -50.718
flat angles P-C4'-P energy: -24.423
tors. eta vs tors. theta energy: -41.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -501.945956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.945956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.945956 (E_RNA)
where:
Base-Base interactions energy: -323.237
where: short stacking energy: -138.155
Base-Backbone interact. energy: -1.560
local terms energy: -177.148589
where:
bonds (distance) C4'-P energy: -47.333
bonds (distance) P-C4' energy: -41.445
flat angles C4'-P-C4' energy: -40.469
flat angles P-C4'-P energy: -20.725
tors. eta vs tors. theta energy: -27.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -984.503522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.503522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.503522 (E_RNA)
where:
Base-Base interactions energy: -698.120
where: short stacking energy: -266.617
Base-Backbone interact. energy: -2.093
local terms energy: -284.290740
where:
bonds (distance) C4'-P energy: -51.507
bonds (distance) P-C4' energy: -51.891
flat angles C4'-P-C4' energy: -69.487
flat angles P-C4'-P energy: -39.474
tors. eta vs tors. theta energy: -71.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -919.415364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.415364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.415364 (E_RNA)
where:
Base-Base interactions energy: -638.844
where: short stacking energy: -266.866
Base-Backbone interact. energy: -0.140
local terms energy: -280.431444
where:
bonds (distance) C4'-P energy: -51.019
bonds (distance) P-C4' energy: -57.278
flat angles C4'-P-C4' energy: -57.106
flat angles P-C4'-P energy: -42.130
tors. eta vs tors. theta energy: -72.898
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: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -939.523574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.523574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.523574 (E_RNA)
where:
Base-Base interactions energy: -658.138
where: short stacking energy: -259.673
Base-Backbone interact. energy: -2.258
local terms energy: -279.127463
where:
bonds (distance) C4'-P energy: -52.397
bonds (distance) P-C4' energy: -47.905
flat angles C4'-P-C4' energy: -53.142
flat angles P-C4'-P energy: -45.463
tors. eta vs tors. theta energy: -80.221
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: 6
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -845.729402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.729402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.729402 (E_RNA)
where:
Base-Base interactions energy: -589.685
where: short stacking energy: -241.712
Base-Backbone interact. energy: 2.241
local terms energy: -258.285558
where:
bonds (distance) C4'-P energy: -55.209
bonds (distance) P-C4' energy: -48.780
flat angles C4'-P-C4' energy: -55.674
flat angles P-C4'-P energy: -36.824
tors. eta vs tors. theta energy: -61.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -794.428725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.428725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.428725 (E_RNA)
where:
Base-Base interactions energy: -532.336
where: short stacking energy: -243.089
Base-Backbone interact. energy: -0.466
local terms energy: -261.626230
where:
bonds (distance) C4'-P energy: -50.265
bonds (distance) P-C4' energy: -42.672
flat angles C4'-P-C4' energy: -58.461
flat angles P-C4'-P energy: -45.280
tors. eta vs tors. theta energy: -64.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -682.649063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.649063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.649063 (E_RNA)
where:
Base-Base interactions energy: -452.423
where: short stacking energy: -216.425
Base-Backbone interact. energy: 0.298
local terms energy: -230.523935
where:
bonds (distance) C4'-P energy: -42.552
bonds (distance) P-C4' energy: -45.982
flat angles C4'-P-C4' energy: -57.631
flat angles P-C4'-P energy: -29.450
tors. eta vs tors. theta energy: -54.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -729.334604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.334604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.334604 (E_RNA)
where:
Base-Base interactions energy: -478.816
where: short stacking energy: -192.261
Base-Backbone interact. energy: -0.959
local terms energy: -249.559055
where:
bonds (distance) C4'-P energy: -54.478
bonds (distance) P-C4' energy: -54.840
flat angles C4'-P-C4' energy: -54.785
flat angles P-C4'-P energy: -30.217
tors. eta vs tors. theta energy: -55.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -645.019198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.019198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.019198 (E_RNA)
where:
Base-Base interactions energy: -433.516
where: short stacking energy: -181.575
Base-Backbone interact. energy: 2.969
local terms energy: -214.471891
where:
bonds (distance) C4'-P energy: -37.705
bonds (distance) P-C4' energy: -51.318
flat angles C4'-P-C4' energy: -44.328
flat angles P-C4'-P energy: -39.945
tors. eta vs tors. theta energy: -41.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -548.250113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.250113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.250113 (E_RNA)
where:
Base-Base interactions energy: -364.075
where: short stacking energy: -135.466
Base-Backbone interact. energy: -1.772
local terms energy: -182.402971
where:
bonds (distance) C4'-P energy: -38.850
bonds (distance) P-C4' energy: -53.132
flat angles C4'-P-C4' energy: -40.818
flat angles P-C4'-P energy: -30.978
tors. eta vs tors. theta energy: -18.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -511.865150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.865150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.865150 (E_RNA)
where:
Base-Base interactions energy: -325.042
where: short stacking energy: -159.665
Base-Backbone interact. energy: -1.050
local terms energy: -185.773502
where:
bonds (distance) C4'-P energy: -42.097
bonds (distance) P-C4' energy: -45.153
flat angles C4'-P-C4' energy: -38.478
flat angles P-C4'-P energy: -26.054
tors. eta vs tors. theta energy: -33.992
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: 221
Temperature: 0.900000
Total energy: -984.915638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.915638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.915638 (E_RNA)
where:
Base-Base interactions energy: -698.874
where: short stacking energy: -269.632
Base-Backbone interact. energy: -1.817
local terms energy: -284.225163
where:
bonds (distance) C4'-P energy: -51.843
bonds (distance) P-C4' energy: -55.927
flat angles C4'-P-C4' energy: -59.192
flat angles P-C4'-P energy: -38.427
tors. eta vs tors. theta energy: -78.836
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: 2, replica: 10
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -941.920543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.920543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.920543 (E_RNA)
where:
Base-Base interactions energy: -649.872
where: short stacking energy: -258.211
Base-Backbone interact. energy: -0.976
local terms energy: -291.073361
where:
bonds (distance) C4'-P energy: -54.369
bonds (distance) P-C4' energy: -54.815
flat angles C4'-P-C4' energy: -61.354
flat angles P-C4'-P energy: -41.048
tors. eta vs tors. theta energy: -79.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -921.646697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.646697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.646697 (E_RNA)
where:
Base-Base interactions energy: -649.668
where: short stacking energy: -272.966
Base-Backbone interact. energy: -1.264
local terms energy: -270.714799
where:
bonds (distance) C4'-P energy: -48.798
bonds (distance) P-C4' energy: -51.583
flat angles C4'-P-C4' energy: -53.876
flat angles P-C4'-P energy: -38.348
tors. eta vs tors. theta energy: -78.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -853.963104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.963104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.963104 (E_RNA)
where:
Base-Base interactions energy: -586.853
where: short stacking energy: -227.579
Base-Backbone interact. energy: -1.009
local terms energy: -266.101193
where:
bonds (distance) C4'-P energy: -54.416
bonds (distance) P-C4' energy: -48.445
flat angles C4'-P-C4' energy: -52.542
flat angles P-C4'-P energy: -42.709
tors. eta vs tors. theta energy: -67.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -801.435958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.435958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.435958 (E_RNA)
where:
Base-Base interactions energy: -555.342
where: short stacking energy: -232.182
Base-Backbone interact. energy: -0.903
local terms energy: -245.190462
where:
bonds (distance) C4'-P energy: -46.092
bonds (distance) P-C4' energy: -45.923
flat angles C4'-P-C4' energy: -51.024
flat angles P-C4'-P energy: -41.065
tors. eta vs tors. theta energy: -61.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -782.249202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.249202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.249202 (E_RNA)
where:
Base-Base interactions energy: -554.124
where: short stacking energy: -213.250
Base-Backbone interact. energy: -1.478
local terms energy: -226.647021
where:
bonds (distance) C4'-P energy: -46.088
bonds (distance) P-C4' energy: -45.191
flat angles C4'-P-C4' energy: -41.645
flat angles P-C4'-P energy: -38.199
tors. eta vs tors. theta energy: -55.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -696.835980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.835980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.835980 (E_RNA)
where:
Base-Base interactions energy: -468.484
where: short stacking energy: -197.689
Base-Backbone interact. energy: -0.590
local terms energy: -227.762010
where:
bonds (distance) C4'-P energy: -46.580
bonds (distance) P-C4' energy: -48.322
flat angles C4'-P-C4' energy: -49.274
flat angles P-C4'-P energy: -31.903
tors. eta vs tors. theta energy: -51.683
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: 221
Temperature: 1.250000
Total energy: -672.068590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.068590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.068590 (E_RNA)
where:
Base-Base interactions energy: -475.831
where: short stacking energy: -201.748
Base-Backbone interact. energy: -1.932
local terms energy: -194.305438
where:
bonds (distance) C4'-P energy: -43.504
bonds (distance) P-C4' energy: -39.494
flat angles C4'-P-C4' energy: -46.220
flat angles P-C4'-P energy: -28.092
tors. eta vs tors. theta energy: -36.995
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: 9, replica: 9
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -583.016853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.016853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.016853 (E_RNA)
where:
Base-Base interactions energy: -381.035
where: short stacking energy: -157.149
Base-Backbone interact. energy: -1.247
local terms energy: -200.735441
where:
bonds (distance) C4'-P energy: -42.589
bonds (distance) P-C4' energy: -49.815
flat angles C4'-P-C4' energy: -48.143
flat angles P-C4'-P energy: -22.876
tors. eta vs tors. theta energy: -37.313
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: 3
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -498.004203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.004203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.004203 (E_RNA)
where:
Base-Base interactions energy: -310.414
where: short stacking energy: -140.892
Base-Backbone interact. energy: 2.516
local terms energy: -190.105988
where:
bonds (distance) C4'-P energy: -49.247
bonds (distance) P-C4' energy: -45.749
flat angles C4'-P-C4' energy: -48.382
flat angles P-C4'-P energy: -19.013
tors. eta vs tors. theta energy: -27.714
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: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -972.421147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.421147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.421147 (E_RNA)
where:
Base-Base interactions energy: -683.417
where: short stacking energy: -269.483
Base-Backbone interact. energy: -1.539
local terms energy: -287.465457
where:
bonds (distance) C4'-P energy: -52.418
bonds (distance) P-C4' energy: -53.899
flat angles C4'-P-C4' energy: -56.663
flat angles P-C4'-P energy: -45.873
tors. eta vs tors. theta energy: -78.613
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: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -945.187945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.187945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.187945 (E_RNA)
where:
Base-Base interactions energy: -664.570
where: short stacking energy: -275.729
Base-Backbone interact. energy: -0.134
local terms energy: -280.483751
where:
bonds (distance) C4'-P energy: -46.917
bonds (distance) P-C4' energy: -54.372
flat angles C4'-P-C4' energy: -56.123
flat angles P-C4'-P energy: -44.084
tors. eta vs tors. theta energy: -78.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -891.917346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.917346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.917346 (E_RNA)
where:
Base-Base interactions energy: -628.548
where: short stacking energy: -248.039
Base-Backbone interact. energy: -2.023
local terms energy: -261.346687
where:
bonds (distance) C4'-P energy: -53.732
bonds (distance) P-C4' energy: -50.307
flat angles C4'-P-C4' energy: -44.932
flat angles P-C4'-P energy: -42.106
tors. eta vs tors. theta energy: -70.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -903.501701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.501701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.501701 (E_RNA)
where:
Base-Base interactions energy: -632.655
where: short stacking energy: -259.719
Base-Backbone interact. energy: -1.257
local terms energy: -269.589086
where:
bonds (distance) C4'-P energy: -42.373
bonds (distance) P-C4' energy: -59.985
flat angles C4'-P-C4' energy: -59.722
flat angles P-C4'-P energy: -36.319
tors. eta vs tors. theta energy: -71.189
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: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -766.315075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.315075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.315075 (E_RNA)
where:
Base-Base interactions energy: -536.614
where: short stacking energy: -226.066
Base-Backbone interact. energy: 0.024
local terms energy: -229.724865
where:
bonds (distance) C4'-P energy: -49.093
bonds (distance) P-C4' energy: -46.873
flat angles C4'-P-C4' energy: -46.583
flat angles P-C4'-P energy: -32.378
tors. eta vs tors. theta energy: -54.798
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: 5
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -758.084648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.084648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.084648 (E_RNA)
where:
Base-Base interactions energy: -530.428
where: short stacking energy: -225.357
Base-Backbone interact. energy: -1.626
local terms energy: -226.030150
where:
bonds (distance) C4'-P energy: -44.352
bonds (distance) P-C4' energy: -50.449
flat angles C4'-P-C4' energy: -50.651
flat angles P-C4'-P energy: -29.117
tors. eta vs tors. theta energy: -51.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -720.401048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.401048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.401048 (E_RNA)
where:
Base-Base interactions energy: -504.300
where: short stacking energy: -205.610
Base-Backbone interact. energy: -0.952
local terms energy: -215.148996
where:
bonds (distance) C4'-P energy: -42.208
bonds (distance) P-C4' energy: -41.333
flat angles C4'-P-C4' energy: -55.878
flat angles P-C4'-P energy: -30.920
tors. eta vs tors. theta energy: -44.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -639.864120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.864120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.864120 (E_RNA)
where:
Base-Base interactions energy: -422.278
where: short stacking energy: -187.286
Base-Backbone interact. energy: -0.200
local terms energy: -217.386803
where:
bonds (distance) C4'-P energy: -40.406
bonds (distance) P-C4' energy: -51.438
flat angles C4'-P-C4' energy: -52.964
flat angles P-C4'-P energy: -23.502
tors. eta vs tors. theta energy: -49.077
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: 222
Temperature: 1.300000
Total energy: -598.045653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.045653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.045653 (E_RNA)
where:
Base-Base interactions energy: -389.966
where: short stacking energy: -158.134
Base-Backbone interact. energy: 2.664
local terms energy: -210.743725
where:
bonds (distance) C4'-P energy: -43.794
bonds (distance) P-C4' energy: -45.722
flat angles C4'-P-C4' energy: -44.206
flat angles P-C4'-P energy: -35.332
tors. eta vs tors. theta energy: -41.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -471.894473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.894473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.894473 (E_RNA)
where:
Base-Base interactions energy: -288.190
where: short stacking energy: -133.147
Base-Backbone interact. energy: 0.563
local terms energy: -184.266831
where:
bonds (distance) C4'-P energy: -45.750
bonds (distance) P-C4' energy: -42.490
flat angles C4'-P-C4' energy: -48.950
flat angles P-C4'-P energy: -22.787
tors. eta vs tors. theta energy: -24.290
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: 223
Temperature: 0.900000
Total energy: -980.307698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.307698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.307698 (E_RNA)
where:
Base-Base interactions energy: -695.751
where: short stacking energy: -266.622
Base-Backbone interact. energy: -1.639
local terms energy: -282.918156
where:
bonds (distance) C4'-P energy: -58.904
bonds (distance) P-C4' energy: -56.008
flat angles C4'-P-C4' energy: -55.331
flat angles P-C4'-P energy: -40.934
tors. eta vs tors. theta energy: -71.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -935.648087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.648087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.648087 (E_RNA)
where:
Base-Base interactions energy: -655.771
where: short stacking energy: -277.576
Base-Backbone interact. energy: 1.592
local terms energy: -281.469880
where:
bonds (distance) C4'-P energy: -52.079
bonds (distance) P-C4' energy: -44.800
flat angles C4'-P-C4' energy: -58.887
flat angles P-C4'-P energy: -50.082
tors. eta vs tors. theta energy: -75.622
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: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -886.186726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.186726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.186726 (E_RNA)
where:
Base-Base interactions energy: -628.439
where: short stacking energy: -244.788
Base-Backbone interact. energy: -1.984
local terms energy: -255.763786
where:
bonds (distance) C4'-P energy: -49.881
bonds (distance) P-C4' energy: -43.502
flat angles C4'-P-C4' energy: -60.446
flat angles P-C4'-P energy: -32.897
tors. eta vs tors. theta energy: -69.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -865.133634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.133634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.133634 (E_RNA)
where:
Base-Base interactions energy: -598.899
where: short stacking energy: -251.551
Base-Backbone interact. energy: -0.770
local terms energy: -265.464625
where:
bonds (distance) C4'-P energy: -41.194
bonds (distance) P-C4' energy: -50.993
flat angles C4'-P-C4' energy: -61.192
flat angles P-C4'-P energy: -42.694
tors. eta vs tors. theta energy: -69.391
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: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -776.534541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.534541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.534541 (E_RNA)
where:
Base-Base interactions energy: -551.764
where: short stacking energy: -212.706
Base-Backbone interact. energy: -1.396
local terms energy: -223.373969
where:
bonds (distance) C4'-P energy: -53.763
bonds (distance) P-C4' energy: -40.562
flat angles C4'-P-C4' energy: -44.191
flat angles P-C4'-P energy: -24.299
tors. eta vs tors. theta energy: -60.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -779.580518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.580518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.580518 (E_RNA)
where:
Base-Base interactions energy: -548.040
where: short stacking energy: -230.072
Base-Backbone interact. energy: 0.291
local terms energy: -231.831249
where:
bonds (distance) C4'-P energy: -32.332
bonds (distance) P-C4' energy: -49.145
flat angles C4'-P-C4' energy: -55.795
flat angles P-C4'-P energy: -32.527
tors. eta vs tors. theta energy: -62.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -744.665054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.665054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.665054 (E_RNA)
where:
Base-Base interactions energy: -508.734
where: short stacking energy: -203.243
Base-Backbone interact. energy: -0.140
local terms energy: -235.791191
where:
bonds (distance) C4'-P energy: -50.418
bonds (distance) P-C4' energy: -47.592
flat angles C4'-P-C4' energy: -56.964
flat angles P-C4'-P energy: -31.020
tors. eta vs tors. theta energy: -49.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -610.507323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.507323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.507323 (E_RNA)
where:
Base-Base interactions energy: -423.727
where: short stacking energy: -188.478
Base-Backbone interact. energy: 1.817
local terms energy: -188.597605
where:
bonds (distance) C4'-P energy: -38.614
bonds (distance) P-C4' energy: -53.125
flat angles C4'-P-C4' energy: -34.666
flat angles P-C4'-P energy: -21.664
tors. eta vs tors. theta energy: -40.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -576.817836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.817836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.817836 (E_RNA)
where:
Base-Base interactions energy: -379.418
where: short stacking energy: -158.458
Base-Backbone interact. energy: -0.469
local terms energy: -196.930187
where:
bonds (distance) C4'-P energy: -38.065
bonds (distance) P-C4' energy: -45.531
flat angles C4'-P-C4' energy: -47.080
flat angles P-C4'-P energy: -35.022
tors. eta vs tors. theta energy: -31.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -471.422608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.422608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.422608 (E_RNA)
where:
Base-Base interactions energy: -296.551
where: short stacking energy: -136.775
Base-Backbone interact. energy: -0.636
local terms energy: -174.235302
where:
bonds (distance) C4'-P energy: -33.743
bonds (distance) P-C4' energy: -46.952
flat angles C4'-P-C4' energy: -43.972
flat angles P-C4'-P energy: -25.148
tors. eta vs tors. theta energy: -24.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -974.738439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.738439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.738439 (E_RNA)
where:
Base-Base interactions energy: -692.093
where: short stacking energy: -272.033
Base-Backbone interact. energy: -0.629
local terms energy: -282.016710
where:
bonds (distance) C4'-P energy: -53.828
bonds (distance) P-C4' energy: -52.118
flat angles C4'-P-C4' energy: -58.538
flat angles P-C4'-P energy: -39.377
tors. eta vs tors. theta energy: -78.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -921.810459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.810459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.810459 (E_RNA)
where:
Base-Base interactions energy: -651.562
where: short stacking energy: -273.727
Base-Backbone interact. energy: -0.628
local terms energy: -269.620598
where:
bonds (distance) C4'-P energy: -56.501
bonds (distance) P-C4' energy: -43.304
flat angles C4'-P-C4' energy: -56.487
flat angles P-C4'-P energy: -41.104
tors. eta vs tors. theta energy: -72.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -880.595137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.595137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.595137 (E_RNA)
where:
Base-Base interactions energy: -606.094
where: short stacking energy: -260.435
Base-Backbone interact. energy: -2.123
local terms energy: -272.378285
where:
bonds (distance) C4'-P energy: -47.010
bonds (distance) P-C4' energy: -55.283
flat angles C4'-P-C4' energy: -59.447
flat angles P-C4'-P energy: -36.926
tors. eta vs tors. theta energy: -73.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -863.979464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.979464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.979464 (E_RNA)
where:
Base-Base interactions energy: -608.675
where: short stacking energy: -237.318
Base-Backbone interact. energy: -0.557
local terms energy: -254.747355
where:
bonds (distance) C4'-P energy: -43.037
bonds (distance) P-C4' energy: -46.753
flat angles C4'-P-C4' energy: -64.762
flat angles P-C4'-P energy: -37.509
tors. eta vs tors. theta energy: -62.687
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: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -841.277905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.277905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.277905 (E_RNA)
where:
Base-Base interactions energy: -593.510
where: short stacking energy: -228.144
Base-Backbone interact. energy: -1.115
local terms energy: -246.653742
where:
bonds (distance) C4'-P energy: -38.310
bonds (distance) P-C4' energy: -55.775
flat angles C4'-P-C4' energy: -54.544
flat angles P-C4'-P energy: -37.659
tors. eta vs tors. theta energy: -60.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -782.102132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.102132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.102132 (E_RNA)
where:
Base-Base interactions energy: -541.720
where: short stacking energy: -235.367
Base-Backbone interact. energy: 2.148
local terms energy: -242.530500
where:
bonds (distance) C4'-P energy: -48.233
bonds (distance) P-C4' energy: -50.243
flat angles C4'-P-C4' energy: -55.458
flat angles P-C4'-P energy: -30.694
tors. eta vs tors. theta energy: -57.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -708.047935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.047935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.047935 (E_RNA)
where:
Base-Base interactions energy: -477.447
where: short stacking energy: -185.143
Base-Backbone interact. energy: -1.435
local terms energy: -229.165842
where:
bonds (distance) C4'-P energy: -52.140
bonds (distance) P-C4' energy: -44.837
flat angles C4'-P-C4' energy: -54.370
flat angles P-C4'-P energy: -33.060
tors. eta vs tors. theta energy: -44.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -605.804765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.804765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.804765 (E_RNA)
where:
Base-Base interactions energy: -393.434
where: short stacking energy: -158.989
Base-Backbone interact. energy: 0.046
local terms energy: -212.416726
where:
bonds (distance) C4'-P energy: -43.407
bonds (distance) P-C4' energy: -48.234
flat angles C4'-P-C4' energy: -48.678
flat angles P-C4'-P energy: -33.401
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: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -573.020302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.020302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.020302 (E_RNA)
where:
Base-Base interactions energy: -382.210
where: short stacking energy: -169.029
Base-Backbone interact. energy: -0.234
local terms energy: -190.576720
where:
bonds (distance) C4'-P energy: -38.318
bonds (distance) P-C4' energy: -48.232
flat angles C4'-P-C4' energy: -33.757
flat angles P-C4'-P energy: -25.793
tors. eta vs tors. theta energy: -44.476
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: 10, replica: 3
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -445.397694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.397694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.397694 (E_RNA)
where:
Base-Base interactions energy: -275.302
where: short stacking energy: -124.009
Base-Backbone interact. energy: -2.194
local terms energy: -167.901582
where:
bonds (distance) C4'-P energy: -46.717
bonds (distance) P-C4' energy: -42.567
flat angles C4'-P-C4' energy: -34.231
flat angles P-C4'-P energy: -34.333
tors. eta vs tors. theta energy: -10.053
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: 225
Temperature: 0.900000
Total energy: -963.383505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.383505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.383505 (E_RNA)
where:
Base-Base interactions energy: -671.793
where: short stacking energy: -276.833
Base-Backbone interact. energy: -0.021
local terms energy: -291.569028
where:
bonds (distance) C4'-P energy: -54.909
bonds (distance) P-C4' energy: -54.258
flat angles C4'-P-C4' energy: -65.880
flat angles P-C4'-P energy: -43.734
tors. eta vs tors. theta energy: -72.787
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: 2, replica: 10
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -952.195917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.195917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.195917 (E_RNA)
where:
Base-Base interactions energy: -675.336
where: short stacking energy: -277.136
Base-Backbone interact. energy: -1.772
local terms energy: -275.087820
where:
bonds (distance) C4'-P energy: -57.278
bonds (distance) P-C4' energy: -47.010
flat angles C4'-P-C4' energy: -56.890
flat angles P-C4'-P energy: -33.787
tors. eta vs tors. theta energy: -80.123
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: 3, replica: 4
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -872.326078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.326078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.326078 (E_RNA)
where:
Base-Base interactions energy: -587.016
where: short stacking energy: -263.461
Base-Backbone interact. energy: -0.887
local terms energy: -284.423857
where:
bonds (distance) C4'-P energy: -52.118
bonds (distance) P-C4' energy: -57.733
flat angles C4'-P-C4' energy: -53.706
flat angles P-C4'-P energy: -42.449
tors. eta vs tors. theta energy: -78.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -848.263871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.263871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.263871 (E_RNA)
where:
Base-Base interactions energy: -589.268
where: short stacking energy: -245.730
Base-Backbone interact. energy: 0.262
local terms energy: -259.257401
where:
bonds (distance) C4'-P energy: -43.926
bonds (distance) P-C4' energy: -48.299
flat angles C4'-P-C4' energy: -60.791
flat angles P-C4'-P energy: -40.903
tors. eta vs tors. theta energy: -65.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -846.971014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.971014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.971014 (E_RNA)
where:
Base-Base interactions energy: -609.213
where: short stacking energy: -246.622
Base-Backbone interact. energy: 0.179
local terms energy: -237.936989
where:
bonds (distance) C4'-P energy: -50.984
bonds (distance) P-C4' energy: -46.783
flat angles C4'-P-C4' energy: -48.883
flat angles P-C4'-P energy: -33.564
tors. eta vs tors. theta energy: -57.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -754.345484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.345484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.345484 (E_RNA)
where:
Base-Base interactions energy: -521.340
where: short stacking energy: -220.071
Base-Backbone interact. energy: -1.697
local terms energy: -231.308296
where:
bonds (distance) C4'-P energy: -49.723
bonds (distance) P-C4' energy: -46.049
flat angles C4'-P-C4' energy: -54.619
flat angles P-C4'-P energy: -30.144
tors. eta vs tors. theta energy: -50.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -692.001857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.001857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.001857 (E_RNA)
where:
Base-Base interactions energy: -456.418
where: short stacking energy: -196.058
Base-Backbone interact. energy: -1.378
local terms energy: -234.206093
where:
bonds (distance) C4'-P energy: -43.025
bonds (distance) P-C4' energy: -46.162
flat angles C4'-P-C4' energy: -62.089
flat angles P-C4'-P energy: -34.059
tors. eta vs tors. theta energy: -48.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -616.749518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.749518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.749518 (E_RNA)
where:
Base-Base interactions energy: -381.424
where: short stacking energy: -167.865
Base-Backbone interact. energy: 1.734
local terms energy: -237.059893
where:
bonds (distance) C4'-P energy: -51.454
bonds (distance) P-C4' energy: -48.100
flat angles C4'-P-C4' energy: -52.314
flat angles P-C4'-P energy: -43.796
tors. eta vs tors. theta energy: -41.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -617.453834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.453834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.453834 (E_RNA)
where:
Base-Base interactions energy: -434.089
where: short stacking energy: -181.685
Base-Backbone interact. energy: -0.673
local terms energy: -182.691371
where:
bonds (distance) C4'-P energy: -43.711
bonds (distance) P-C4' energy: -41.079
flat angles C4'-P-C4' energy: -41.404
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -39.568
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: 3
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -455.625971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.625971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.625971 (E_RNA)
where:
Base-Base interactions energy: -278.283
where: short stacking energy: -129.599
Base-Backbone interact. energy: -0.943
local terms energy: -176.400203
where:
bonds (distance) C4'-P energy: -35.300
bonds (distance) P-C4' energy: -39.896
flat angles C4'-P-C4' energy: -41.445
flat angles P-C4'-P energy: -38.487
tors. eta vs tors. theta energy: -21.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -970.798417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.798417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.798417 (E_RNA)
where:
Base-Base interactions energy: -684.370
where: short stacking energy: -264.167
Base-Backbone interact. energy: -0.805
local terms energy: -285.623182
where:
bonds (distance) C4'-P energy: -48.461
bonds (distance) P-C4' energy: -55.409
flat angles C4'-P-C4' energy: -64.309
flat angles P-C4'-P energy: -43.607
tors. eta vs tors. theta energy: -73.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -965.042849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.042849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.042849 (E_RNA)
where:
Base-Base interactions energy: -683.823
where: short stacking energy: -250.775
Base-Backbone interact. energy: -1.932
local terms energy: -279.287959
where:
bonds (distance) C4'-P energy: -54.587
bonds (distance) P-C4' energy: -49.751
flat angles C4'-P-C4' energy: -57.613
flat angles P-C4'-P energy: -35.409
tors. eta vs tors. theta energy: -81.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -876.812602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.812602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.812602 (E_RNA)
where:
Base-Base interactions energy: -605.433
where: short stacking energy: -249.928
Base-Backbone interact. energy: -1.665
local terms energy: -269.714578
where:
bonds (distance) C4'-P energy: -44.141
bonds (distance) P-C4' energy: -48.675
flat angles C4'-P-C4' energy: -60.702
flat angles P-C4'-P energy: -42.431
tors. eta vs tors. theta energy: -73.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -872.900077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.900077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.900077 (E_RNA)
where:
Base-Base interactions energy: -606.770
where: short stacking energy: -252.879
Base-Backbone interact. energy: -0.882
local terms energy: -265.248960
where:
bonds (distance) C4'-P energy: -51.348
bonds (distance) P-C4' energy: -51.392
flat angles C4'-P-C4' energy: -54.866
flat angles P-C4'-P energy: -37.892
tors. eta vs tors. theta energy: -69.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -822.884914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.884914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.884914 (E_RNA)
where:
Base-Base interactions energy: -574.852
where: short stacking energy: -229.647
Base-Backbone interact. energy: -0.992
local terms energy: -247.040605
where:
bonds (distance) C4'-P energy: -47.613
bonds (distance) P-C4' energy: -51.727
flat angles C4'-P-C4' energy: -46.202
flat angles P-C4'-P energy: -36.909
tors. eta vs tors. theta energy: -64.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -753.939030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.939030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.939030 (E_RNA)
where:
Base-Base interactions energy: -516.097
where: short stacking energy: -215.625
Base-Backbone interact. energy: -1.082
local terms energy: -236.760277
where:
bonds (distance) C4'-P energy: -40.418
bonds (distance) P-C4' energy: -56.126
flat angles C4'-P-C4' energy: -46.480
flat angles P-C4'-P energy: -38.330
tors. eta vs tors. theta energy: -55.406
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: 226
Temperature: 1.200000
Total energy: -634.854082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.854082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.854082 (E_RNA)
where:
Base-Base interactions energy: -410.225
where: short stacking energy: -172.698
Base-Backbone interact. energy: -0.536
local terms energy: -224.092746
where:
bonds (distance) C4'-P energy: -44.668
bonds (distance) P-C4' energy: -52.162
flat angles C4'-P-C4' energy: -51.860
flat angles P-C4'-P energy: -29.672
tors. eta vs tors. theta energy: -45.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -651.873862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.873862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.873862 (E_RNA)
where:
Base-Base interactions energy: -431.661
where: short stacking energy: -205.775
Base-Backbone interact. energy: 4.069
local terms energy: -224.282335
where:
bonds (distance) C4'-P energy: -45.063
bonds (distance) P-C4' energy: -53.410
flat angles C4'-P-C4' energy: -54.178
flat angles P-C4'-P energy: -29.867
tors. eta vs tors. theta energy: -41.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -585.416171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.416171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.416171 (E_RNA)
where:
Base-Base interactions energy: -396.427
where: short stacking energy: -159.282
Base-Backbone interact. energy: 2.003
local terms energy: -190.992358
where:
bonds (distance) C4'-P energy: -42.306
bonds (distance) P-C4' energy: -41.312
flat angles C4'-P-C4' energy: -32.691
flat angles P-C4'-P energy: -36.708
tors. eta vs tors. theta energy: -37.976
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: 10, replica: 3
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -469.757304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.757304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.757304 (E_RNA)
where:
Base-Base interactions energy: -292.110
where: short stacking energy: -122.186
Base-Backbone interact. energy: -1.985
local terms energy: -175.662066
where:
bonds (distance) C4'-P energy: -36.419
bonds (distance) P-C4' energy: -49.603
flat angles C4'-P-C4' energy: -44.243
flat angles P-C4'-P energy: -26.285
tors. eta vs tors. theta energy: -19.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -975.933446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.933446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.933446 (E_RNA)
where:
Base-Base interactions energy: -697.392
where: short stacking energy: -278.164
Base-Backbone interact. energy: -1.255
local terms energy: -277.286567
where:
bonds (distance) C4'-P energy: -52.508
bonds (distance) P-C4' energy: -58.694
flat angles C4'-P-C4' energy: -52.546
flat angles P-C4'-P energy: -35.816
tors. eta vs tors. theta energy: -77.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -965.737549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.737549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.737549 (E_RNA)
where:
Base-Base interactions energy: -673.506
where: short stacking energy: -278.749
Base-Backbone interact. energy: -1.032
local terms energy: -291.199937
where:
bonds (distance) C4'-P energy: -48.582
bonds (distance) P-C4' energy: -58.038
flat angles C4'-P-C4' energy: -60.632
flat angles P-C4'-P energy: -40.838
tors. eta vs tors. theta energy: -83.110
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: 3, replica: 6
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -859.438262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.438262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.438262 (E_RNA)
where:
Base-Base interactions energy: -600.218
where: short stacking energy: -254.049
Base-Backbone interact. energy: -0.433
local terms energy: -258.786781
where:
bonds (distance) C4'-P energy: -44.778
bonds (distance) P-C4' energy: -52.431
flat angles C4'-P-C4' energy: -52.837
flat angles P-C4'-P energy: -43.885
tors. eta vs tors. theta energy: -64.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -850.741263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.741263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.741263 (E_RNA)
where:
Base-Base interactions energy: -597.988
where: short stacking energy: -223.727
Base-Backbone interact. energy: 0.143
local terms energy: -252.897009
where:
bonds (distance) C4'-P energy: -47.757
bonds (distance) P-C4' energy: -49.501
flat angles C4'-P-C4' energy: -56.410
flat angles P-C4'-P energy: -40.796
tors. eta vs tors. theta energy: -58.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -844.994353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.994353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.994353 (E_RNA)
where:
Base-Base interactions energy: -592.362
where: short stacking energy: -250.652
Base-Backbone interact. energy: -2.485
local terms energy: -250.147387
where:
bonds (distance) C4'-P energy: -47.626
bonds (distance) P-C4' energy: -54.663
flat angles C4'-P-C4' energy: -55.392
flat angles P-C4'-P energy: -24.978
tors. eta vs tors. theta energy: -67.487
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: 2
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -791.638378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.638378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.638378 (E_RNA)
where:
Base-Base interactions energy: -555.188
where: short stacking energy: -223.906
Base-Backbone interact. energy: -0.216
local terms energy: -236.234251
where:
bonds (distance) C4'-P energy: -46.122
bonds (distance) P-C4' energy: -46.194
flat angles C4'-P-C4' energy: -49.277
flat angles P-C4'-P energy: -36.811
tors. eta vs tors. theta energy: -57.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -661.838649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.838649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.838649 (E_RNA)
where:
Base-Base interactions energy: -438.910
where: short stacking energy: -186.417
Base-Backbone interact. energy: -1.491
local terms energy: -221.438045
where:
bonds (distance) C4'-P energy: -49.097
bonds (distance) P-C4' energy: -40.088
flat angles C4'-P-C4' energy: -52.445
flat angles P-C4'-P energy: -37.852
tors. eta vs tors. theta energy: -41.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -661.011538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.011538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.011538 (E_RNA)
where:
Base-Base interactions energy: -457.705
where: short stacking energy: -187.347
Base-Backbone interact. energy: 0.887
local terms energy: -204.194269
where:
bonds (distance) C4'-P energy: -34.717
bonds (distance) P-C4' energy: -41.079
flat angles C4'-P-C4' energy: -51.394
flat angles P-C4'-P energy: -34.360
tors. eta vs tors. theta energy: -42.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -586.930577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.930577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.930577 (E_RNA)
where:
Base-Base interactions energy: -406.907
where: short stacking energy: -167.311
Base-Backbone interact. energy: 0.050
local terms energy: -180.073715
where:
bonds (distance) C4'-P energy: -36.924
bonds (distance) P-C4' energy: -31.707
flat angles C4'-P-C4' energy: -45.951
flat angles P-C4'-P energy: -29.479
tors. eta vs tors. theta energy: -36.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -444.360181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.360181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.360181 (E_RNA)
where:
Base-Base interactions energy: -277.339
where: short stacking energy: -139.452
Base-Backbone interact. energy: -0.556
local terms energy: -166.464488
where:
bonds (distance) C4'-P energy: -45.948
bonds (distance) P-C4' energy: -35.895
flat angles C4'-P-C4' energy: -41.098
flat angles P-C4'-P energy: -18.114
tors. eta vs tors. theta energy: -25.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -980.429732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.429732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.429732 (E_RNA)
where:
Base-Base interactions energy: -674.540
where: short stacking energy: -277.261
Base-Backbone interact. energy: -0.619
local terms energy: -305.270823
where:
bonds (distance) C4'-P energy: -61.664
bonds (distance) P-C4' energy: -57.260
flat angles C4'-P-C4' energy: -60.941
flat angles P-C4'-P energy: -42.273
tors. eta vs tors. theta energy: -83.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -974.538155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.538155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.538155 (E_RNA)
where:
Base-Base interactions energy: -699.622
where: short stacking energy: -277.705
Base-Backbone interact. energy: 1.048
local terms energy: -275.964487
where:
bonds (distance) C4'-P energy: -44.901
bonds (distance) P-C4' energy: -55.610
flat angles C4'-P-C4' energy: -57.857
flat angles P-C4'-P energy: -41.697
tors. eta vs tors. theta energy: -75.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -870.860181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.860181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.860181 (E_RNA)
where:
Base-Base interactions energy: -605.858
where: short stacking energy: -251.462
Base-Backbone interact. energy: -1.467
local terms energy: -263.535526
where:
bonds (distance) C4'-P energy: -45.511
bonds (distance) P-C4' energy: -47.720
flat angles C4'-P-C4' energy: -56.683
flat angles P-C4'-P energy: -39.674
tors. eta vs tors. theta energy: -73.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -865.993929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.993929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.993929 (E_RNA)
where:
Base-Base interactions energy: -600.508
where: short stacking energy: -233.603
Base-Backbone interact. energy: -2.714
local terms energy: -262.772460
where:
bonds (distance) C4'-P energy: -49.607
bonds (distance) P-C4' energy: -56.460
flat angles C4'-P-C4' energy: -47.361
flat angles P-C4'-P energy: -36.541
tors. eta vs tors. theta energy: -72.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -806.328003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.328003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.328003 (E_RNA)
where:
Base-Base interactions energy: -553.216
where: short stacking energy: -219.954
Base-Backbone interact. energy: -0.909
local terms energy: -252.203618
where:
bonds (distance) C4'-P energy: -48.594
bonds (distance) P-C4' energy: -55.291
flat angles C4'-P-C4' energy: -61.581
flat angles P-C4'-P energy: -31.623
tors. eta vs tors. theta energy: -55.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -784.113128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.113128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.113128 (E_RNA)
where:
Base-Base interactions energy: -532.811
where: short stacking energy: -207.301
Base-Backbone interact. energy: -1.503
local terms energy: -249.799255
where:
bonds (distance) C4'-P energy: -41.361
bonds (distance) P-C4' energy: -52.160
flat angles C4'-P-C4' energy: -50.671
flat angles P-C4'-P energy: -46.521
tors. eta vs tors. theta energy: -59.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -706.801206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.801206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.801206 (E_RNA)
where:
Base-Base interactions energy: -470.527
where: short stacking energy: -211.943
Base-Backbone interact. energy: 0.046
local terms energy: -236.320302
where:
bonds (distance) C4'-P energy: -47.155
bonds (distance) P-C4' energy: -46.730
flat angles C4'-P-C4' energy: -54.445
flat angles P-C4'-P energy: -32.935
tors. eta vs tors. theta energy: -55.055
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: 228
Temperature: 1.250000
Total energy: -651.688628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.688628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.688628 (E_RNA)
where:
Base-Base interactions energy: -443.094
where: short stacking energy: -178.736
Base-Backbone interact. energy: -1.902
local terms energy: -206.692868
where:
bonds (distance) C4'-P energy: -32.253
bonds (distance) P-C4' energy: -44.160
flat angles C4'-P-C4' energy: -44.504
flat angles P-C4'-P energy: -42.038
tors. eta vs tors. theta energy: -43.739
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: 228
Temperature: 1.300000
Total energy: -592.253944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.253944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.253944 (E_RNA)
where:
Base-Base interactions energy: -394.736
where: short stacking energy: -161.440
Base-Backbone interact. energy: 0.135
local terms energy: -197.652921
where:
bonds (distance) C4'-P energy: -35.630
bonds (distance) P-C4' energy: -49.804
flat angles C4'-P-C4' energy: -45.850
flat angles P-C4'-P energy: -34.327
tors. eta vs tors. theta energy: -32.042
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: 3
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -436.046366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.046366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.046366 (E_RNA)
where:
Base-Base interactions energy: -270.652
where: short stacking energy: -149.336
Base-Backbone interact. energy: 2.102
local terms energy: -167.496458
where:
bonds (distance) C4'-P energy: -46.964
bonds (distance) P-C4' energy: -29.795
flat angles C4'-P-C4' energy: -49.542
flat angles P-C4'-P energy: -18.527
tors. eta vs tors. theta energy: -22.669
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: 10
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -977.316699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.316699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.316699 (E_RNA)
where:
Base-Base interactions energy: -682.113
where: short stacking energy: -292.865
Base-Backbone interact. energy: -0.697
local terms energy: -294.506438
where:
bonds (distance) C4'-P energy: -52.216
bonds (distance) P-C4' energy: -54.348
flat angles C4'-P-C4' energy: -55.494
flat angles P-C4'-P energy: -46.824
tors. eta vs tors. theta energy: -85.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -975.909974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.909974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.909974 (E_RNA)
where:
Base-Base interactions energy: -690.570
where: short stacking energy: -279.702
Base-Backbone interact. energy: -0.530
local terms energy: -284.809714
where:
bonds (distance) C4'-P energy: -46.698
bonds (distance) P-C4' energy: -53.389
flat angles C4'-P-C4' energy: -66.737
flat angles P-C4'-P energy: -39.431
tors. eta vs tors. theta energy: -78.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -887.980087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.980087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.980087 (E_RNA)
where:
Base-Base interactions energy: -615.998
where: short stacking energy: -242.680
Base-Backbone interact. energy: 0.522
local terms energy: -272.503897
where:
bonds (distance) C4'-P energy: -50.482
bonds (distance) P-C4' energy: -52.867
flat angles C4'-P-C4' energy: -57.822
flat angles P-C4'-P energy: -37.513
tors. eta vs tors. theta energy: -73.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -904.119035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.119035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.119035 (E_RNA)
where:
Base-Base interactions energy: -624.441
where: short stacking energy: -250.421
Base-Backbone interact. energy: -0.906
local terms energy: -278.772213
where:
bonds (distance) C4'-P energy: -54.052
bonds (distance) P-C4' energy: -54.997
flat angles C4'-P-C4' energy: -55.318
flat angles P-C4'-P energy: -41.233
tors. eta vs tors. theta energy: -73.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -820.490618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.490618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.490618 (E_RNA)
where:
Base-Base interactions energy: -573.418
where: short stacking energy: -249.651
Base-Backbone interact. energy: 4.441
local terms energy: -251.513391
where:
bonds (distance) C4'-P energy: -45.958
bonds (distance) P-C4' energy: -55.556
flat angles C4'-P-C4' energy: -50.789
flat angles P-C4'-P energy: -37.582
tors. eta vs tors. theta energy: -61.627
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: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -760.029447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.029447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.029447 (E_RNA)
where:
Base-Base interactions energy: -526.951
where: short stacking energy: -219.895
Base-Backbone interact. energy: 0.535
local terms energy: -233.613717
where:
bonds (distance) C4'-P energy: -51.632
bonds (distance) P-C4' energy: -45.759
flat angles C4'-P-C4' energy: -44.031
flat angles P-C4'-P energy: -34.027
tors. eta vs tors. theta energy: -58.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -676.323987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.323987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.323987 (E_RNA)
where:
Base-Base interactions energy: -456.014
where: short stacking energy: -202.919
Base-Backbone interact. energy: -0.665
local terms energy: -219.645231
where:
bonds (distance) C4'-P energy: -51.367
bonds (distance) P-C4' energy: -42.775
flat angles C4'-P-C4' energy: -43.736
flat angles P-C4'-P energy: -30.801
tors. eta vs tors. theta energy: -50.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -664.922285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.922285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.922285 (E_RNA)
where:
Base-Base interactions energy: -457.186
where: short stacking energy: -189.169
Base-Backbone interact. energy: 1.515
local terms energy: -209.251081
where:
bonds (distance) C4'-P energy: -36.840
bonds (distance) P-C4' energy: -37.408
flat angles C4'-P-C4' energy: -53.159
flat angles P-C4'-P energy: -38.126
tors. eta vs tors. theta energy: -43.718
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: 229
Temperature: 1.300000
Total energy: -597.695111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.695111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.695111 (E_RNA)
where:
Base-Base interactions energy: -398.244
where: short stacking energy: -177.431
Base-Backbone interact. energy: 3.350
local terms energy: -202.800729
where:
bonds (distance) C4'-P energy: -34.671
bonds (distance) P-C4' energy: -44.289
flat angles C4'-P-C4' energy: -52.318
flat angles P-C4'-P energy: -33.093
tors. eta vs tors. theta energy: -38.429
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: 3
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -456.862916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.862916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.862916 (E_RNA)
where:
Base-Base interactions energy: -269.869
where: short stacking energy: -123.219
Base-Backbone interact. energy: 0.205
local terms energy: -187.198991
where:
bonds (distance) C4'-P energy: -36.852
bonds (distance) P-C4' energy: -52.217
flat angles C4'-P-C4' energy: -47.972
flat angles P-C4'-P energy: -31.360
tors. eta vs tors. theta energy: -18.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -975.771480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.771480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.771480 (E_RNA)
where:
Base-Base interactions energy: -679.195
where: short stacking energy: -284.042
Base-Backbone interact. energy: -1.552
local terms energy: -295.024083
where:
bonds (distance) C4'-P energy: -55.568
bonds (distance) P-C4' energy: -56.171
flat angles C4'-P-C4' energy: -58.988
flat angles P-C4'-P energy: -44.463
tors. eta vs tors. theta energy: -79.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -951.354441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.354441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.354441 (E_RNA)
where:
Base-Base interactions energy: -676.087
where: short stacking energy: -267.525
Base-Backbone interact. energy: -1.388
local terms energy: -273.879550
where:
bonds (distance) C4'-P energy: -46.664
bonds (distance) P-C4' energy: -51.670
flat angles C4'-P-C4' energy: -59.122
flat angles P-C4'-P energy: -45.343
tors. eta vs tors. theta energy: -71.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -909.559764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.559764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.559764 (E_RNA)
where:
Base-Base interactions energy: -652.286
where: short stacking energy: -251.033
Base-Backbone interact. energy: 0.263
local terms energy: -257.536743
where:
bonds (distance) C4'-P energy: -50.632
bonds (distance) P-C4' energy: -48.698
flat angles C4'-P-C4' energy: -52.153
flat angles P-C4'-P energy: -43.251
tors. eta vs tors. theta energy: -62.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -905.598940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.598940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.598940 (E_RNA)
where:
Base-Base interactions energy: -636.462
where: short stacking energy: -267.653
Base-Backbone interact. energy: -2.934
local terms energy: -266.203116
where:
bonds (distance) C4'-P energy: -47.253
bonds (distance) P-C4' energy: -43.205
flat angles C4'-P-C4' energy: -58.107
flat angles P-C4'-P energy: -37.535
tors. eta vs tors. theta energy: -80.104
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: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -794.841313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.841313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.841313 (E_RNA)
where:
Base-Base interactions energy: -537.271
where: short stacking energy: -219.822
Base-Backbone interact. energy: -1.891
local terms energy: -255.679612
where:
bonds (distance) C4'-P energy: -45.840
bonds (distance) P-C4' energy: -56.891
flat angles C4'-P-C4' energy: -59.663
flat angles P-C4'-P energy: -33.123
tors. eta vs tors. theta energy: -60.163
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: 4
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -781.648055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.648055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.648055 (E_RNA)
where:
Base-Base interactions energy: -537.999
where: short stacking energy: -232.886
Base-Backbone interact. energy: -1.252
local terms energy: -242.396962
where:
bonds (distance) C4'-P energy: -39.803
bonds (distance) P-C4' energy: -51.265
flat angles C4'-P-C4' energy: -58.680
flat angles P-C4'-P energy: -34.790
tors. eta vs tors. theta energy: -57.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -675.100102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.100102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.100102 (E_RNA)
where:
Base-Base interactions energy: -462.804
where: short stacking energy: -185.548
Base-Backbone interact. energy: -0.061
local terms energy: -212.235766
where:
bonds (distance) C4'-P energy: -50.378
bonds (distance) P-C4' energy: -53.110
flat angles C4'-P-C4' energy: -46.462
flat angles P-C4'-P energy: -24.813
tors. eta vs tors. theta energy: -37.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -633.629172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.629172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.629172 (E_RNA)
where:
Base-Base interactions energy: -423.699
where: short stacking energy: -182.655
Base-Backbone interact. energy: -1.280
local terms energy: -208.650142
where:
bonds (distance) C4'-P energy: -45.710
bonds (distance) P-C4' energy: -46.356
flat angles C4'-P-C4' energy: -44.314
flat angles P-C4'-P energy: -31.489
tors. eta vs tors. theta energy: -40.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -618.262797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.262797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.262797 (E_RNA)
where:
Base-Base interactions energy: -407.535
where: short stacking energy: -163.151
Base-Backbone interact. energy: 3.210
local terms energy: -213.937907
where:
bonds (distance) C4'-P energy: -43.974
bonds (distance) P-C4' energy: -51.664
flat angles C4'-P-C4' energy: -50.140
flat angles P-C4'-P energy: -33.630
tors. eta vs tors. theta energy: -34.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -459.644250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.644250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.644250 (E_RNA)
where:
Base-Base interactions energy: -292.717
where: short stacking energy: -121.705
Base-Backbone interact. energy: -1.021
local terms energy: -165.905469
where:
bonds (distance) C4'-P energy: -36.139
bonds (distance) P-C4' energy: -57.340
flat angles C4'-P-C4' energy: -39.962
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -12.804
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: 10
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -969.605401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.605401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.605401 (E_RNA)
where:
Base-Base interactions energy: -682.208
where: short stacking energy: -273.405
Base-Backbone interact. energy: 0.214
local terms energy: -287.610655
where:
bonds (distance) C4'-P energy: -58.084
bonds (distance) P-C4' energy: -52.579
flat angles C4'-P-C4' energy: -55.929
flat angles P-C4'-P energy: -41.280
tors. eta vs tors. theta energy: -79.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -925.774980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.774980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.774980 (E_RNA)
where:
Base-Base interactions energy: -645.288
where: short stacking energy: -270.019
Base-Backbone interact. energy: -1.870
local terms energy: -278.617575
where:
bonds (distance) C4'-P energy: -49.515
bonds (distance) P-C4' energy: -54.851
flat angles C4'-P-C4' energy: -61.149
flat angles P-C4'-P energy: -36.088
tors. eta vs tors. theta energy: -77.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -921.161893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.161893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.161893 (E_RNA)
where:
Base-Base interactions energy: -648.865
where: short stacking energy: -252.881
Base-Backbone interact. energy: -1.003
local terms energy: -271.294399
where:
bonds (distance) C4'-P energy: -37.120
bonds (distance) P-C4' energy: -57.111
flat angles C4'-P-C4' energy: -54.947
flat angles P-C4'-P energy: -48.317
tors. eta vs tors. theta energy: -73.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -804.620704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.620704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.620704 (E_RNA)
where:
Base-Base interactions energy: -557.935
where: short stacking energy: -241.936
Base-Backbone interact. energy: 2.045
local terms energy: -248.730582
where:
bonds (distance) C4'-P energy: -41.487
bonds (distance) P-C4' energy: -52.157
flat angles C4'-P-C4' energy: -55.350
flat angles P-C4'-P energy: -37.975
tors. eta vs tors. theta energy: -61.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -844.618607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.618607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.618607 (E_RNA)
where:
Base-Base interactions energy: -593.151
where: short stacking energy: -240.616
Base-Backbone interact. energy: -1.805
local terms energy: -249.662873
where:
bonds (distance) C4'-P energy: -46.107
bonds (distance) P-C4' energy: -42.619
flat angles C4'-P-C4' energy: -51.442
flat angles P-C4'-P energy: -40.025
tors. eta vs tors. theta energy: -69.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -790.874506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.874506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.874506 (E_RNA)
where:
Base-Base interactions energy: -559.877
where: short stacking energy: -218.471
Base-Backbone interact. energy: -0.927
local terms energy: -230.070690
where:
bonds (distance) C4'-P energy: -48.478
bonds (distance) P-C4' energy: -42.863
flat angles C4'-P-C4' energy: -50.105
flat angles P-C4'-P energy: -33.888
tors. eta vs tors. theta energy: -54.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -664.420486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.420486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.420486 (E_RNA)
where:
Base-Base interactions energy: -421.859
where: short stacking energy: -192.395
Base-Backbone interact. energy: 0.272
local terms energy: -242.833425
where:
bonds (distance) C4'-P energy: -52.378
bonds (distance) P-C4' energy: -51.157
flat angles C4'-P-C4' energy: -50.624
flat angles P-C4'-P energy: -35.423
tors. eta vs tors. theta energy: -53.250
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: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -622.388990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.388990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.388990 (E_RNA)
where:
Base-Base interactions energy: -435.375
where: short stacking energy: -177.875
Base-Backbone interact. energy: 3.346
local terms energy: -190.360140
where:
bonds (distance) C4'-P energy: -32.776
bonds (distance) P-C4' energy: -41.090
flat angles C4'-P-C4' energy: -37.651
flat angles P-C4'-P energy: -29.806
tors. eta vs tors. theta energy: -49.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -596.673447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.673447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.673447 (E_RNA)
where:
Base-Base interactions energy: -411.214
where: short stacking energy: -173.065
Base-Backbone interact. energy: 0.246
local terms energy: -185.705822
where:
bonds (distance) C4'-P energy: -35.221
bonds (distance) P-C4' energy: -42.367
flat angles C4'-P-C4' energy: -45.334
flat angles P-C4'-P energy: -21.736
tors. eta vs tors. theta energy: -41.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -487.800700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.800700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.800700 (E_RNA)
where:
Base-Base interactions energy: -306.566
where: short stacking energy: -140.284
Base-Backbone interact. energy: -1.013
local terms energy: -180.221944
where:
bonds (distance) C4'-P energy: -37.368
bonds (distance) P-C4' energy: -41.409
flat angles C4'-P-C4' energy: -46.927
flat angles P-C4'-P energy: -29.494
tors. eta vs tors. theta energy: -25.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -948.880206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.880206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.880206 (E_RNA)
where:
Base-Base interactions energy: -667.507
where: short stacking energy: -259.669
Base-Backbone interact. energy: -0.763
local terms energy: -280.610363
where:
bonds (distance) C4'-P energy: -56.405
bonds (distance) P-C4' energy: -54.564
flat angles C4'-P-C4' energy: -57.839
flat angles P-C4'-P energy: -44.651
tors. eta vs tors. theta energy: -67.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -967.115900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.115900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.115900 (E_RNA)
where:
Base-Base interactions energy: -683.053
where: short stacking energy: -279.658
Base-Backbone interact. energy: 0.492
local terms energy: -284.554764
where:
bonds (distance) C4'-P energy: -53.120
bonds (distance) P-C4' energy: -52.069
flat angles C4'-P-C4' energy: -57.693
flat angles P-C4'-P energy: -42.074
tors. eta vs tors. theta energy: -79.599
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: 232
Temperature: 1.000000
Total energy: -907.747283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.747283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.747283 (E_RNA)
where:
Base-Base interactions energy: -654.268
where: short stacking energy: -261.176
Base-Backbone interact. energy: -2.173
local terms energy: -251.307021
where:
bonds (distance) C4'-P energy: -38.017
bonds (distance) P-C4' energy: -45.570
flat angles C4'-P-C4' energy: -62.191
flat angles P-C4'-P energy: -40.542
tors. eta vs tors. theta energy: -64.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -816.638086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.638086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.638086 (E_RNA)
where:
Base-Base interactions energy: -554.304
where: short stacking energy: -231.470
Base-Backbone interact. energy: -1.736
local terms energy: -260.597973
where:
bonds (distance) C4'-P energy: -52.357
bonds (distance) P-C4' energy: -57.006
flat angles C4'-P-C4' energy: -55.362
flat angles P-C4'-P energy: -30.139
tors. eta vs tors. theta energy: -65.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -863.323893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.323893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.323893 (E_RNA)
where:
Base-Base interactions energy: -599.741
where: short stacking energy: -252.905
Base-Backbone interact. energy: -0.195
local terms energy: -263.388557
where:
bonds (distance) C4'-P energy: -41.131
bonds (distance) P-C4' energy: -55.822
flat angles C4'-P-C4' energy: -57.344
flat angles P-C4'-P energy: -41.455
tors. eta vs tors. theta energy: -67.636
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: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -791.968091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.968091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.968091 (E_RNA)
where:
Base-Base interactions energy: -555.279
where: short stacking energy: -239.787
Base-Backbone interact. energy: -1.007
local terms energy: -235.682627
where:
bonds (distance) C4'-P energy: -52.237
bonds (distance) P-C4' energy: -49.443
flat angles C4'-P-C4' energy: -51.350
flat angles P-C4'-P energy: -24.777
tors. eta vs tors. theta energy: -57.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -680.698987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.698987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.698987 (E_RNA)
where:
Base-Base interactions energy: -451.245
where: short stacking energy: -191.712
Base-Backbone interact. energy: -0.421
local terms energy: -229.032729
where:
bonds (distance) C4'-P energy: -54.488
bonds (distance) P-C4' energy: -48.512
flat angles C4'-P-C4' energy: -50.238
flat angles P-C4'-P energy: -32.277
tors. eta vs tors. theta energy: -43.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -632.023490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.023490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.023490 (E_RNA)
where:
Base-Base interactions energy: -423.433
where: short stacking energy: -181.012
Base-Backbone interact. energy: 0.590
local terms energy: -209.180098
where:
bonds (distance) C4'-P energy: -58.248
bonds (distance) P-C4' energy: -46.942
flat angles C4'-P-C4' energy: -42.956
flat angles P-C4'-P energy: -23.216
tors. eta vs tors. theta energy: -37.817
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: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -605.358887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.358887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.358887 (E_RNA)
where:
Base-Base interactions energy: -389.129
where: short stacking energy: -158.475
Base-Backbone interact. energy: -2.684
local terms energy: -213.546482
where:
bonds (distance) C4'-P energy: -49.566
bonds (distance) P-C4' energy: -57.822
flat angles C4'-P-C4' energy: -52.341
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -39.269
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: 3
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -471.697414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.697414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.697414 (E_RNA)
where:
Base-Base interactions energy: -292.314
where: short stacking energy: -123.507
Base-Backbone interact. energy: -0.462
local terms energy: -178.921242
where:
bonds (distance) C4'-P energy: -44.683
bonds (distance) P-C4' energy: -54.456
flat angles C4'-P-C4' energy: -34.509
flat angles P-C4'-P energy: -29.564
tors. eta vs tors. theta energy: -15.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -946.273997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.273997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.273997 (E_RNA)
where:
Base-Base interactions energy: -661.022
where: short stacking energy: -253.912
Base-Backbone interact. energy: -1.888
local terms energy: -283.363950
where:
bonds (distance) C4'-P energy: -53.981
bonds (distance) P-C4' energy: -56.213
flat angles C4'-P-C4' energy: -60.030
flat angles P-C4'-P energy: -42.319
tors. eta vs tors. theta energy: -70.821
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: 233
Temperature: 0.950000
Total energy: -922.856177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.856177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.856177 (E_RNA)
where:
Base-Base interactions energy: -656.844
where: short stacking energy: -267.582
Base-Backbone interact. energy: 0.158
local terms energy: -266.169996
where:
bonds (distance) C4'-P energy: -52.363
bonds (distance) P-C4' energy: -48.508
flat angles C4'-P-C4' energy: -54.435
flat angles P-C4'-P energy: -44.259
tors. eta vs tors. theta energy: -66.605
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: 10
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -914.457639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.457639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.457639 (E_RNA)
where:
Base-Base interactions energy: -629.113
where: short stacking energy: -267.038
Base-Backbone interact. energy: -1.113
local terms energy: -284.230955
where:
bonds (distance) C4'-P energy: -54.750
bonds (distance) P-C4' energy: -59.635
flat angles C4'-P-C4' energy: -58.036
flat angles P-C4'-P energy: -39.023
tors. eta vs tors. theta energy: -72.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -857.859725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.859725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.859725 (E_RNA)
where:
Base-Base interactions energy: -596.750
where: short stacking energy: -251.521
Base-Backbone interact. energy: -2.047
local terms energy: -259.062313
where:
bonds (distance) C4'-P energy: -44.079
bonds (distance) P-C4' energy: -53.764
flat angles C4'-P-C4' energy: -50.703
flat angles P-C4'-P energy: -39.754
tors. eta vs tors. theta energy: -70.761
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: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -810.254979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.254979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.254979 (E_RNA)
where:
Base-Base interactions energy: -544.000
where: short stacking energy: -229.024
Base-Backbone interact. energy: -1.194
local terms energy: -265.061659
where:
bonds (distance) C4'-P energy: -56.203
bonds (distance) P-C4' energy: -57.233
flat angles C4'-P-C4' energy: -49.879
flat angles P-C4'-P energy: -34.415
tors. eta vs tors. theta energy: -67.331
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: 6, replica: 7
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -735.712823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.712823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.712823 (E_RNA)
where:
Base-Base interactions energy: -497.212
where: short stacking energy: -218.447
Base-Backbone interact. energy: -1.511
local terms energy: -236.990111
where:
bonds (distance) C4'-P energy: -44.289
bonds (distance) P-C4' energy: -49.059
flat angles C4'-P-C4' energy: -53.918
flat angles P-C4'-P energy: -29.892
tors. eta vs tors. theta energy: -59.833
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: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -765.141336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.141336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.141336 (E_RNA)
where:
Base-Base interactions energy: -528.788
where: short stacking energy: -230.308
Base-Backbone interact. energy: 2.153
local terms energy: -238.505901
where:
bonds (distance) C4'-P energy: -40.876
bonds (distance) P-C4' energy: -51.018
flat angles C4'-P-C4' energy: -52.363
flat angles P-C4'-P energy: -34.522
tors. eta vs tors. theta energy: -59.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -616.636282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.636282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.636282 (E_RNA)
where:
Base-Base interactions energy: -404.882
where: short stacking energy: -164.673
Base-Backbone interact. energy: -0.579
local terms energy: -211.175162
where:
bonds (distance) C4'-P energy: -46.520
bonds (distance) P-C4' energy: -48.258
flat angles C4'-P-C4' energy: -54.587
flat angles P-C4'-P energy: -24.217
tors. eta vs tors. theta energy: -37.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -567.887917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.887917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.887917 (E_RNA)
where:
Base-Base interactions energy: -366.131
where: short stacking energy: -157.655
Base-Backbone interact. energy: -1.278
local terms energy: -200.479020
where:
bonds (distance) C4'-P energy: -37.160
bonds (distance) P-C4' energy: -58.841
flat angles C4'-P-C4' energy: -45.132
flat angles P-C4'-P energy: -28.602
tors. eta vs tors. theta energy: -30.743
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: 10, replica: 3
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -488.149561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.149561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.149561 (E_RNA)
where:
Base-Base interactions energy: -309.887
where: short stacking energy: -144.190
Base-Backbone interact. energy: 1.295
local terms energy: -179.557234
where:
bonds (distance) C4'-P energy: -41.451
bonds (distance) P-C4' energy: -52.327
flat angles C4'-P-C4' energy: -40.685
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: -29.155
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: 5
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -949.835384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.835384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.835384 (E_RNA)
where:
Base-Base interactions energy: -671.334
where: short stacking energy: -281.665
Base-Backbone interact. energy: -1.532
local terms energy: -276.968665
where:
bonds (distance) C4'-P energy: -54.549
bonds (distance) P-C4' energy: -42.675
flat angles C4'-P-C4' energy: -55.431
flat angles P-C4'-P energy: -48.978
tors. eta vs tors. theta energy: -75.336
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: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -919.329434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.329434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.329434 (E_RNA)
where:
Base-Base interactions energy: -656.348
where: short stacking energy: -258.672
Base-Backbone interact. energy: -0.531
local terms energy: -262.449821
where:
bonds (distance) C4'-P energy: -48.636
bonds (distance) P-C4' energy: -48.685
flat angles C4'-P-C4' energy: -56.879
flat angles P-C4'-P energy: -37.258
tors. eta vs tors. theta energy: -70.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -898.572089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.572089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.572089 (E_RNA)
where:
Base-Base interactions energy: -641.396
where: short stacking energy: -256.529
Base-Backbone interact. energy: -1.435
local terms energy: -255.740280
where:
bonds (distance) C4'-P energy: -42.675
bonds (distance) P-C4' energy: -46.657
flat angles C4'-P-C4' energy: -55.550
flat angles P-C4'-P energy: -39.683
tors. eta vs tors. theta energy: -71.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -870.999135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.999135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.999135 (E_RNA)
where:
Base-Base interactions energy: -596.486
where: short stacking energy: -244.837
Base-Backbone interact. energy: 0.931
local terms energy: -275.443204
where:
bonds (distance) C4'-P energy: -48.914
bonds (distance) P-C4' energy: -55.958
flat angles C4'-P-C4' energy: -57.191
flat angles P-C4'-P energy: -41.737
tors. eta vs tors. theta energy: -71.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -794.326327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.326327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.326327 (E_RNA)
where:
Base-Base interactions energy: -544.765
where: short stacking energy: -223.339
Base-Backbone interact. energy: -2.294
local terms energy: -247.267168
where:
bonds (distance) C4'-P energy: -53.436
bonds (distance) P-C4' energy: -49.079
flat angles C4'-P-C4' energy: -49.939
flat angles P-C4'-P energy: -37.485
tors. eta vs tors. theta energy: -57.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -708.938850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.938850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.938850 (E_RNA)
where:
Base-Base interactions energy: -481.576
where: short stacking energy: -199.070
Base-Backbone interact. energy: -0.714
local terms energy: -226.649159
where:
bonds (distance) C4'-P energy: -53.451
bonds (distance) P-C4' energy: -48.743
flat angles C4'-P-C4' energy: -46.075
flat angles P-C4'-P energy: -33.840
tors. eta vs tors. theta energy: -44.540
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: 7, replica: 4
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -763.097604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.097604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.097604 (E_RNA)
where:
Base-Base interactions energy: -530.237
where: short stacking energy: -210.061
Base-Backbone interact. energy: -1.587
local terms energy: -231.273829
where:
bonds (distance) C4'-P energy: -43.535
bonds (distance) P-C4' energy: -57.653
flat angles C4'-P-C4' energy: -51.470
flat angles P-C4'-P energy: -30.804
tors. eta vs tors. theta energy: -47.811
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: 9
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -620.407653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.407653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.407653 (E_RNA)
where:
Base-Base interactions energy: -417.068
where: short stacking energy: -180.922
Base-Backbone interact. energy: 4.694
local terms energy: -208.034043
where:
bonds (distance) C4'-P energy: -40.090
bonds (distance) P-C4' energy: -53.506
flat angles C4'-P-C4' energy: -51.297
flat angles P-C4'-P energy: -32.166
tors. eta vs tors. theta energy: -30.976
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: 8
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -575.342281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.342281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.342281 (E_RNA)
where:
Base-Base interactions energy: -393.215
where: short stacking energy: -170.375
Base-Backbone interact. energy: -1.571
local terms energy: -180.556329
where:
bonds (distance) C4'-P energy: -42.766
bonds (distance) P-C4' energy: -47.267
flat angles C4'-P-C4' energy: -38.565
flat angles P-C4'-P energy: -24.090
tors. eta vs tors. theta energy: -27.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -490.297232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.297232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.297232 (E_RNA)
where:
Base-Base interactions energy: -308.271
where: short stacking energy: -144.570
Base-Backbone interact. energy: -0.961
local terms energy: -181.064998
where:
bonds (distance) C4'-P energy: -50.944
bonds (distance) P-C4' energy: -44.006
flat angles C4'-P-C4' energy: -38.711
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: -22.119
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: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -956.661122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.661122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.661122 (E_RNA)
where:
Base-Base interactions energy: -669.236
where: short stacking energy: -290.030
Base-Backbone interact. energy: -1.569
local terms energy: -285.856332
where:
bonds (distance) C4'-P energy: -57.482
bonds (distance) P-C4' energy: -52.549
flat angles C4'-P-C4' energy: -58.543
flat angles P-C4'-P energy: -38.507
tors. eta vs tors. theta energy: -78.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -947.117812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.117812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.117812 (E_RNA)
where:
Base-Base interactions energy: -667.553
where: short stacking energy: -275.651
Base-Backbone interact. energy: -1.020
local terms energy: -278.544681
where:
bonds (distance) C4'-P energy: -48.288
bonds (distance) P-C4' energy: -44.381
flat angles C4'-P-C4' energy: -60.936
flat angles P-C4'-P energy: -43.483
tors. eta vs tors. theta energy: -81.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -906.343855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.343855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.343855 (E_RNA)
where:
Base-Base interactions energy: -630.676
where: short stacking energy: -255.064
Base-Backbone interact. energy: -0.602
local terms energy: -275.065042
where:
bonds (distance) C4'-P energy: -52.690
bonds (distance) P-C4' energy: -58.857
flat angles C4'-P-C4' energy: -59.070
flat angles P-C4'-P energy: -34.733
tors. eta vs tors. theta energy: -69.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -881.398768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.398768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.398768 (E_RNA)
where:
Base-Base interactions energy: -595.434
where: short stacking energy: -251.279
Base-Backbone interact. energy: -1.897
local terms energy: -284.067380
where:
bonds (distance) C4'-P energy: -44.460
bonds (distance) P-C4' energy: -53.940
flat angles C4'-P-C4' energy: -65.101
flat angles P-C4'-P energy: -36.102
tors. eta vs tors. theta energy: -84.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -823.922178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.922178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.922178 (E_RNA)
where:
Base-Base interactions energy: -566.328
where: short stacking energy: -230.058
Base-Backbone interact. energy: 0.195
local terms energy: -257.788927
where:
bonds (distance) C4'-P energy: -51.827
bonds (distance) P-C4' energy: -56.050
flat angles C4'-P-C4' energy: -51.767
flat angles P-C4'-P energy: -34.354
tors. eta vs tors. theta energy: -63.792
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: 4
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -770.792842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.792842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.792842 (E_RNA)
where:
Base-Base interactions energy: -527.075
where: short stacking energy: -231.424
Base-Backbone interact. energy: -1.319
local terms energy: -242.398510
where:
bonds (distance) C4'-P energy: -46.659
bonds (distance) P-C4' energy: -47.514
flat angles C4'-P-C4' energy: -51.743
flat angles P-C4'-P energy: -33.959
tors. eta vs tors. theta energy: -62.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -722.107510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.107510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.107510 (E_RNA)
where:
Base-Base interactions energy: -493.321
where: short stacking energy: -204.883
Base-Backbone interact. energy: -2.022
local terms energy: -226.764694
where:
bonds (distance) C4'-P energy: -38.066
bonds (distance) P-C4' energy: -48.403
flat angles C4'-P-C4' energy: -51.252
flat angles P-C4'-P energy: -39.698
tors. eta vs tors. theta energy: -49.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -588.153829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.153829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.153829 (E_RNA)
where:
Base-Base interactions energy: -400.369
where: short stacking energy: -175.967
Base-Backbone interact. energy: -1.836
local terms energy: -185.949409
where:
bonds (distance) C4'-P energy: -46.337
bonds (distance) P-C4' energy: -35.704
flat angles C4'-P-C4' energy: -51.799
flat angles P-C4'-P energy: -27.153
tors. eta vs tors. theta energy: -24.956
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: 235
Temperature: 1.300000
Total energy: -617.271729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.271729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.271729 (E_RNA)
where:
Base-Base interactions energy: -416.397
where: short stacking energy: -180.839
Base-Backbone interact. energy: 5.411
local terms energy: -206.285364
where:
bonds (distance) C4'-P energy: -40.040
bonds (distance) P-C4' energy: -53.746
flat angles C4'-P-C4' energy: -47.028
flat angles P-C4'-P energy: -22.899
tors. eta vs tors. theta energy: -42.572
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: 3
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -458.134475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.134475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.134475 (E_RNA)
where:
Base-Base interactions energy: -283.967
where: short stacking energy: -124.479
Base-Backbone interact. energy: -1.195
local terms energy: -172.972064
where:
bonds (distance) C4'-P energy: -37.472
bonds (distance) P-C4' energy: -49.945
flat angles C4'-P-C4' energy: -37.549
flat angles P-C4'-P energy: -28.462
tors. eta vs tors. theta energy: -19.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -940.691412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.691412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.691412 (E_RNA)
where:
Base-Base interactions energy: -650.393
where: short stacking energy: -251.912
Base-Backbone interact. energy: -1.321
local terms energy: -288.977140
where:
bonds (distance) C4'-P energy: -58.794
bonds (distance) P-C4' energy: -54.976
flat angles C4'-P-C4' energy: -57.928
flat angles P-C4'-P energy: -45.437
tors. eta vs tors. theta energy: -71.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -975.343613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.343613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.343613 (E_RNA)
where:
Base-Base interactions energy: -682.124
where: short stacking energy: -283.265
Base-Backbone interact. energy: -1.431
local terms energy: -291.789178
where:
bonds (distance) C4'-P energy: -47.367
bonds (distance) P-C4' energy: -57.961
flat angles C4'-P-C4' energy: -61.837
flat angles P-C4'-P energy: -41.428
tors. eta vs tors. theta energy: -83.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -907.289087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.289087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.289087 (E_RNA)
where:
Base-Base interactions energy: -651.667
where: short stacking energy: -243.085
Base-Backbone interact. energy: -1.595
local terms energy: -254.027010
where:
bonds (distance) C4'-P energy: -51.711
bonds (distance) P-C4' energy: -46.871
flat angles C4'-P-C4' energy: -54.335
flat angles P-C4'-P energy: -37.665
tors. eta vs tors. theta energy: -63.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -865.577071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.577071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.577071 (E_RNA)
where:
Base-Base interactions energy: -601.961
where: short stacking energy: -241.967
Base-Backbone interact. energy: -1.638
local terms energy: -261.978524
where:
bonds (distance) C4'-P energy: -50.847
bonds (distance) P-C4' energy: -57.835
flat angles C4'-P-C4' energy: -54.276
flat angles P-C4'-P energy: -34.700
tors. eta vs tors. theta energy: -64.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -825.453124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.453124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.453124 (E_RNA)
where:
Base-Base interactions energy: -571.955
where: short stacking energy: -246.113
Base-Backbone interact. energy: -0.555
local terms energy: -252.943465
where:
bonds (distance) C4'-P energy: -41.465
bonds (distance) P-C4' energy: -50.751
flat angles C4'-P-C4' energy: -61.121
flat angles P-C4'-P energy: -39.419
tors. eta vs tors. theta energy: -60.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -751.495923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.495923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.495923 (E_RNA)
where:
Base-Base interactions energy: -528.247
where: short stacking energy: -201.479
Base-Backbone interact. energy: 3.282
local terms energy: -226.530556
where:
bonds (distance) C4'-P energy: -44.685
bonds (distance) P-C4' energy: -49.794
flat angles C4'-P-C4' energy: -50.181
flat angles P-C4'-P energy: -34.095
tors. eta vs tors. theta energy: -47.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -664.156721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.156721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.156721 (E_RNA)
where:
Base-Base interactions energy: -441.788
where: short stacking energy: -191.148
Base-Backbone interact. energy: -1.554
local terms energy: -220.814567
where:
bonds (distance) C4'-P energy: -40.190
bonds (distance) P-C4' energy: -55.040
flat angles C4'-P-C4' energy: -38.872
flat angles P-C4'-P energy: -42.882
tors. eta vs tors. theta energy: -43.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -602.850243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.850243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.850243 (E_RNA)
where:
Base-Base interactions energy: -400.196
where: short stacking energy: -186.984
Base-Backbone interact. energy: -0.408
local terms energy: -202.245820
where:
bonds (distance) C4'-P energy: -41.678
bonds (distance) P-C4' energy: -46.701
flat angles C4'-P-C4' energy: -56.175
flat angles P-C4'-P energy: -26.158
tors. eta vs tors. theta energy: -31.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -617.459067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.459067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.459067 (E_RNA)
where:
Base-Base interactions energy: -424.270
where: short stacking energy: -179.824
Base-Backbone interact. energy: -0.956
local terms energy: -192.233089
where:
bonds (distance) C4'-P energy: -42.837
bonds (distance) P-C4' energy: -41.508
flat angles C4'-P-C4' energy: -40.787
flat angles P-C4'-P energy: -20.266
tors. eta vs tors. theta energy: -46.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -461.141753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.141753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.141753 (E_RNA)
where:
Base-Base interactions energy: -282.117
where: short stacking energy: -135.274
Base-Backbone interact. energy: 3.214
local terms energy: -182.238267
where:
bonds (distance) C4'-P energy: -53.019
bonds (distance) P-C4' energy: -40.328
flat angles C4'-P-C4' energy: -42.861
flat angles P-C4'-P energy: -35.009
tors. eta vs tors. theta energy: -11.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -957.491538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.491538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.491538 (E_RNA)
where:
Base-Base interactions energy: -665.215
where: short stacking energy: -277.556
Base-Backbone interact. energy: 0.187
local terms energy: -292.463966
where:
bonds (distance) C4'-P energy: -55.236
bonds (distance) P-C4' energy: -62.326
flat angles C4'-P-C4' energy: -57.789
flat angles P-C4'-P energy: -42.470
tors. eta vs tors. theta energy: -74.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -938.982623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.982623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.982623 (E_RNA)
where:
Base-Base interactions energy: -643.569
where: short stacking energy: -256.118
Base-Backbone interact. energy: -0.190
local terms energy: -295.223207
where:
bonds (distance) C4'-P energy: -56.192
bonds (distance) P-C4' energy: -60.245
flat angles C4'-P-C4' energy: -65.775
flat angles P-C4'-P energy: -38.954
tors. eta vs tors. theta energy: -74.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -944.316320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.316320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.316320 (E_RNA)
where:
Base-Base interactions energy: -659.460
where: short stacking energy: -275.298
Base-Backbone interact. energy: -0.188
local terms energy: -284.668377
where:
bonds (distance) C4'-P energy: -53.089
bonds (distance) P-C4' energy: -45.572
flat angles C4'-P-C4' energy: -59.488
flat angles P-C4'-P energy: -46.807
tors. eta vs tors. theta energy: -79.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -884.983403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.983403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.983403 (E_RNA)
where:
Base-Base interactions energy: -596.884
where: short stacking energy: -247.431
Base-Backbone interact. energy: -2.409
local terms energy: -285.690266
where:
bonds (distance) C4'-P energy: -58.473
bonds (distance) P-C4' energy: -52.558
flat angles C4'-P-C4' energy: -63.065
flat angles P-C4'-P energy: -40.190
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: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -787.196495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.196495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.196495 (E_RNA)
where:
Base-Base interactions energy: -526.858
where: short stacking energy: -227.636
Base-Backbone interact. energy: 0.580
local terms energy: -260.918168
where:
bonds (distance) C4'-P energy: -55.297
bonds (distance) P-C4' energy: -54.390
flat angles C4'-P-C4' energy: -51.864
flat angles P-C4'-P energy: -40.498
tors. eta vs tors. theta energy: -58.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -756.357110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.357110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.357110 (E_RNA)
where:
Base-Base interactions energy: -503.371
where: short stacking energy: -208.627
Base-Backbone interact. energy: -2.353
local terms energy: -250.633394
where:
bonds (distance) C4'-P energy: -52.779
bonds (distance) P-C4' energy: -54.513
flat angles C4'-P-C4' energy: -59.434
flat angles P-C4'-P energy: -30.622
tors. eta vs tors. theta energy: -53.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -661.548325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.548325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.548325 (E_RNA)
where:
Base-Base interactions energy: -446.278
where: short stacking energy: -194.204
Base-Backbone interact. energy: 0.041
local terms energy: -215.311747
where:
bonds (distance) C4'-P energy: -48.272
bonds (distance) P-C4' energy: -44.200
flat angles C4'-P-C4' energy: -44.703
flat angles P-C4'-P energy: -35.792
tors. eta vs tors. theta energy: -42.344
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: 8, replica: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -615.637202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.637202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.637202 (E_RNA)
where:
Base-Base interactions energy: -387.893
where: short stacking energy: -166.426
Base-Backbone interact. energy: 5.449
local terms energy: -233.193108
where:
bonds (distance) C4'-P energy: -56.915
bonds (distance) P-C4' energy: -54.958
flat angles C4'-P-C4' energy: -49.718
flat angles P-C4'-P energy: -30.797
tors. eta vs tors. theta energy: -40.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -617.251677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.251677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.251677 (E_RNA)
where:
Base-Base interactions energy: -400.976
where: short stacking energy: -164.669
Base-Backbone interact. energy: -1.769
local terms energy: -214.507027
where:
bonds (distance) C4'-P energy: -48.709
bonds (distance) P-C4' energy: -49.320
flat angles C4'-P-C4' energy: -46.754
flat angles P-C4'-P energy: -29.563
tors. eta vs tors. theta energy: -40.161
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: 3
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -463.936515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.936515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.936515 (E_RNA)
where:
Base-Base interactions energy: -288.271
where: short stacking energy: -140.253
Base-Backbone interact. energy: 0.879
local terms energy: -176.544476
where:
bonds (distance) C4'-P energy: -36.981
bonds (distance) P-C4' energy: -47.729
flat angles C4'-P-C4' energy: -33.869
flat angles P-C4'-P energy: -30.915
tors. eta vs tors. theta energy: -27.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -928.742889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.742889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.742889 (E_RNA)
where:
Base-Base interactions energy: -656.642
where: short stacking energy: -256.741
Base-Backbone interact. energy: -0.204
local terms energy: -271.897078
where:
bonds (distance) C4'-P energy: -54.771
bonds (distance) P-C4' energy: -51.323
flat angles C4'-P-C4' energy: -61.129
flat angles P-C4'-P energy: -37.460
tors. eta vs tors. theta energy: -67.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -921.861224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.861224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.861224 (E_RNA)
where:
Base-Base interactions energy: -655.203
where: short stacking energy: -276.381
Base-Backbone interact. energy: -2.107
local terms energy: -264.551518
where:
bonds (distance) C4'-P energy: -38.615
bonds (distance) P-C4' energy: -45.505
flat angles C4'-P-C4' energy: -60.351
flat angles P-C4'-P energy: -44.961
tors. eta vs tors. theta energy: -75.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -931.026851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.026851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.026851 (E_RNA)
where:
Base-Base interactions energy: -649.356
where: short stacking energy: -261.928
Base-Backbone interact. energy: 1.778
local terms energy: -283.448236
where:
bonds (distance) C4'-P energy: -56.526
bonds (distance) P-C4' energy: -51.929
flat angles C4'-P-C4' energy: -57.861
flat angles P-C4'-P energy: -41.052
tors. eta vs tors. theta energy: -76.081
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: 6
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -889.466365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.466365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.466365 (E_RNA)
where:
Base-Base interactions energy: -617.972
where: short stacking energy: -261.967
Base-Backbone interact. energy: -1.648
local terms energy: -269.846977
where:
bonds (distance) C4'-P energy: -49.408
bonds (distance) P-C4' energy: -50.842
flat angles C4'-P-C4' energy: -58.646
flat angles P-C4'-P energy: -36.481
tors. eta vs tors. theta energy: -74.469
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: 5, replica: 2
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -776.024037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.024037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.024037 (E_RNA)
where:
Base-Base interactions energy: -537.364
where: short stacking energy: -223.230
Base-Backbone interact. energy: -1.400
local terms energy: -237.260077
where:
bonds (distance) C4'-P energy: -43.727
bonds (distance) P-C4' energy: -56.484
flat angles C4'-P-C4' energy: -48.293
flat angles P-C4'-P energy: -31.662
tors. eta vs tors. theta energy: -57.093
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: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -764.150255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.150255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.150255 (E_RNA)
where:
Base-Base interactions energy: -524.901
where: short stacking energy: -207.951
Base-Backbone interact. energy: 2.899
local terms energy: -242.148444
where:
bonds (distance) C4'-P energy: -43.281
bonds (distance) P-C4' energy: -48.710
flat angles C4'-P-C4' energy: -51.817
flat angles P-C4'-P energy: -41.095
tors. eta vs tors. theta energy: -57.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -695.088474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.088474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.088474 (E_RNA)
where:
Base-Base interactions energy: -475.820
where: short stacking energy: -196.262
Base-Backbone interact. energy: -1.484
local terms energy: -217.784306
where:
bonds (distance) C4'-P energy: -34.900
bonds (distance) P-C4' energy: -51.130
flat angles C4'-P-C4' energy: -43.829
flat angles P-C4'-P energy: -37.144
tors. eta vs tors. theta energy: -50.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -609.726989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.726989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.726989 (E_RNA)
where:
Base-Base interactions energy: -389.670
where: short stacking energy: -178.547
Base-Backbone interact. energy: -0.065
local terms energy: -219.992143
where:
bonds (distance) C4'-P energy: -54.540
bonds (distance) P-C4' energy: -44.778
flat angles C4'-P-C4' energy: -53.711
flat angles P-C4'-P energy: -32.097
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: 9, replica: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -618.383994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.383994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.383994 (E_RNA)
where:
Base-Base interactions energy: -405.231
where: short stacking energy: -179.976
Base-Backbone interact. energy: 0.040
local terms energy: -213.193502
where:
bonds (distance) C4'-P energy: -40.045
bonds (distance) P-C4' energy: -43.885
flat angles C4'-P-C4' energy: -54.162
flat angles P-C4'-P energy: -35.452
tors. eta vs tors. theta energy: -39.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -471.668705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.668705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.668705 (E_RNA)
where:
Base-Base interactions energy: -282.887
where: short stacking energy: -128.588
Base-Backbone interact. energy: -0.459
local terms energy: -188.322340
where:
bonds (distance) C4'-P energy: -47.927
bonds (distance) P-C4' energy: -48.294
flat angles C4'-P-C4' energy: -38.350
flat angles P-C4'-P energy: -29.476
tors. eta vs tors. theta energy: -24.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -961.619345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.619345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.619345 (E_RNA)
where:
Base-Base interactions energy: -670.245
where: short stacking energy: -273.635
Base-Backbone interact. energy: -2.386
local terms energy: -288.988098
where:
bonds (distance) C4'-P energy: -58.849
bonds (distance) P-C4' energy: -52.226
flat angles C4'-P-C4' energy: -62.409
flat angles P-C4'-P energy: -45.501
tors. eta vs tors. theta energy: -70.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -930.773112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.773112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.773112 (E_RNA)
where:
Base-Base interactions energy: -652.004
where: short stacking energy: -257.821
Base-Backbone interact. energy: -2.151
local terms energy: -276.617494
where:
bonds (distance) C4'-P energy: -54.322
bonds (distance) P-C4' energy: -59.943
flat angles C4'-P-C4' energy: -56.904
flat angles P-C4'-P energy: -36.493
tors. eta vs tors. theta energy: -68.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -928.056157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.056157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.056157 (E_RNA)
where:
Base-Base interactions energy: -654.704
where: short stacking energy: -266.109
Base-Backbone interact. energy: -0.121
local terms energy: -273.230848
where:
bonds (distance) C4'-P energy: -44.937
bonds (distance) P-C4' energy: -46.240
flat angles C4'-P-C4' energy: -57.326
flat angles P-C4'-P energy: -46.167
tors. eta vs tors. theta energy: -78.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -877.949298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.949298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.949298 (E_RNA)
where:
Base-Base interactions energy: -627.030
where: short stacking energy: -266.051
Base-Backbone interact. energy: 1.292
local terms energy: -252.211080
where:
bonds (distance) C4'-P energy: -41.081
bonds (distance) P-C4' energy: -39.785
flat angles C4'-P-C4' energy: -57.513
flat angles P-C4'-P energy: -39.908
tors. eta vs tors. theta energy: -73.925
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: 2
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -821.740601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.740601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.740601 (E_RNA)
where:
Base-Base interactions energy: -568.029
where: short stacking energy: -235.729
Base-Backbone interact. energy: -1.180
local terms energy: -252.532065
where:
bonds (distance) C4'-P energy: -44.693
bonds (distance) P-C4' energy: -49.844
flat angles C4'-P-C4' energy: -49.416
flat angles P-C4'-P energy: -38.780
tors. eta vs tors. theta energy: -69.799
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: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -783.301601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.301601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.301601 (E_RNA)
where:
Base-Base interactions energy: -544.385
where: short stacking energy: -230.018
Base-Backbone interact. energy: -2.578
local terms energy: -236.339296
where:
bonds (distance) C4'-P energy: -48.330
bonds (distance) P-C4' energy: -55.944
flat angles C4'-P-C4' energy: -46.189
flat angles P-C4'-P energy: -22.850
tors. eta vs tors. theta energy: -63.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -662.569078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.569078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.569078 (E_RNA)
where:
Base-Base interactions energy: -452.548
where: short stacking energy: -195.494
Base-Backbone interact. energy: -0.181
local terms energy: -209.840389
where:
bonds (distance) C4'-P energy: -43.642
bonds (distance) P-C4' energy: -29.961
flat angles C4'-P-C4' energy: -58.380
flat angles P-C4'-P energy: -30.275
tors. eta vs tors. theta energy: -47.582
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: 9
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -608.878013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.878013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.878013 (E_RNA)
where:
Base-Base interactions energy: -386.688
where: short stacking energy: -169.851
Base-Backbone interact. energy: -2.351
local terms energy: -219.839080
where:
bonds (distance) C4'-P energy: -45.535
bonds (distance) P-C4' energy: -50.229
flat angles C4'-P-C4' energy: -49.064
flat angles P-C4'-P energy: -33.035
tors. eta vs tors. theta energy: -41.976
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: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -551.743944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.743944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.743944 (E_RNA)
where:
Base-Base interactions energy: -352.103
where: short stacking energy: -143.188
Base-Backbone interact. energy: -0.558
local terms energy: -199.082229
where:
bonds (distance) C4'-P energy: -41.791
bonds (distance) P-C4' energy: -47.584
flat angles C4'-P-C4' energy: -51.546
flat angles P-C4'-P energy: -32.200
tors. eta vs tors. theta energy: -25.960
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: 3
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -503.017498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.017498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.017498 (E_RNA)
where:
Base-Base interactions energy: -313.737
where: short stacking energy: -147.412
Base-Backbone interact. energy: -0.369
local terms energy: -188.912085
where:
bonds (distance) C4'-P energy: -41.215
bonds (distance) P-C4' energy: -50.960
flat angles C4'-P-C4' energy: -52.988
flat angles P-C4'-P energy: -27.663
tors. eta vs tors. theta energy: -16.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -950.823103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.823103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.823103 (E_RNA)
where:
Base-Base interactions energy: -673.366
where: short stacking energy: -277.007
Base-Backbone interact. energy: 0.846
local terms energy: -278.303018
where:
bonds (distance) C4'-P energy: -51.131
bonds (distance) P-C4' energy: -44.322
flat angles C4'-P-C4' energy: -56.472
flat angles P-C4'-P energy: -45.942
tors. eta vs tors. theta energy: -80.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -919.602989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.602989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.602989 (E_RNA)
where:
Base-Base interactions energy: -642.299
where: short stacking energy: -264.698
Base-Backbone interact. energy: 0.356
local terms energy: -277.660419
where:
bonds (distance) C4'-P energy: -48.345
bonds (distance) P-C4' energy: -60.070
flat angles C4'-P-C4' energy: -54.702
flat angles P-C4'-P energy: -46.311
tors. eta vs tors. theta energy: -68.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -915.523705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.523705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.523705 (E_RNA)
where:
Base-Base interactions energy: -632.579
where: short stacking energy: -276.474
Base-Backbone interact. energy: -1.031
local terms energy: -281.913794
where:
bonds (distance) C4'-P energy: -43.481
bonds (distance) P-C4' energy: -58.066
flat angles C4'-P-C4' energy: -62.513
flat angles P-C4'-P energy: -37.097
tors. eta vs tors. theta energy: -80.757
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: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -929.621596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.621596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.621596 (E_RNA)
where:
Base-Base interactions energy: -662.514
where: short stacking energy: -264.814
Base-Backbone interact. energy: -2.105
local terms energy: -265.002695
where:
bonds (distance) C4'-P energy: -53.748
bonds (distance) P-C4' energy: -37.691
flat angles C4'-P-C4' energy: -58.700
flat angles P-C4'-P energy: -36.736
tors. eta vs tors. theta energy: -78.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -790.506187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.506187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.506187 (E_RNA)
where:
Base-Base interactions energy: -545.720
where: short stacking energy: -237.373
Base-Backbone interact. energy: 0.145
local terms energy: -244.930628
where:
bonds (distance) C4'-P energy: -43.556
bonds (distance) P-C4' energy: -53.041
flat angles C4'-P-C4' energy: -53.597
flat angles P-C4'-P energy: -36.831
tors. eta vs tors. theta energy: -57.905
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: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -816.010819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.010819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.010819 (E_RNA)
where:
Base-Base interactions energy: -567.877
where: short stacking energy: -234.845
Base-Backbone interact. energy: 0.432
local terms energy: -248.566418
where:
bonds (distance) C4'-P energy: -55.691
bonds (distance) P-C4' energy: -46.979
flat angles C4'-P-C4' energy: -50.679
flat angles P-C4'-P energy: -34.753
tors. eta vs tors. theta energy: -60.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -648.329483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.329483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.329483 (E_RNA)
where:
Base-Base interactions energy: -445.627
where: short stacking energy: -194.793
Base-Backbone interact. energy: 1.847
local terms energy: -204.549402
where:
bonds (distance) C4'-P energy: -36.697
bonds (distance) P-C4' energy: -43.845
flat angles C4'-P-C4' energy: -49.711
flat angles P-C4'-P energy: -31.688
tors. eta vs tors. theta energy: -42.608
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: 8, replica: 9
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -597.552306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.552306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.552306 (E_RNA)
where:
Base-Base interactions energy: -407.603
where: short stacking energy: -177.388
Base-Backbone interact. energy: 1.690
local terms energy: -191.638978
where:
bonds (distance) C4'-P energy: -37.116
bonds (distance) P-C4' energy: -44.462
flat angles C4'-P-C4' energy: -43.041
flat angles P-C4'-P energy: -25.825
tors. eta vs tors. theta energy: -41.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -604.130042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.130042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.130042 (E_RNA)
where:
Base-Base interactions energy: -412.975
where: short stacking energy: -170.627
Base-Backbone interact. energy: -2.133
local terms energy: -189.022274
where:
bonds (distance) C4'-P energy: -45.515
bonds (distance) P-C4' energy: -33.627
flat angles C4'-P-C4' energy: -47.129
flat angles P-C4'-P energy: -32.485
tors. eta vs tors. theta energy: -30.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -533.307230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.307230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.307230 (E_RNA)
where:
Base-Base interactions energy: -332.643
where: short stacking energy: -150.981
Base-Backbone interact. energy: -0.937
local terms energy: -199.727195
where:
bonds (distance) C4'-P energy: -51.182
bonds (distance) P-C4' energy: -48.744
flat angles C4'-P-C4' energy: -46.507
flat angles P-C4'-P energy: -26.394
tors. eta vs tors. theta energy: -26.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -961.241245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.241245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.241245 (E_RNA)
where:
Base-Base interactions energy: -683.910
where: short stacking energy: -270.767
Base-Backbone interact. energy: -1.870
local terms energy: -275.461504
where:
bonds (distance) C4'-P energy: -50.694
bonds (distance) P-C4' energy: -44.455
flat angles C4'-P-C4' energy: -45.999
flat angles P-C4'-P energy: -53.568
tors. eta vs tors. theta energy: -80.745
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: 2, replica: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -928.775928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.775928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.775928 (E_RNA)
where:
Base-Base interactions energy: -652.591
where: short stacking energy: -257.056
Base-Backbone interact. energy: -1.679
local terms energy: -274.505670
where:
bonds (distance) C4'-P energy: -55.655
bonds (distance) P-C4' energy: -57.179
flat angles C4'-P-C4' energy: -57.605
flat angles P-C4'-P energy: -37.457
tors. eta vs tors. theta energy: -66.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -912.501653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.501653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.501653 (E_RNA)
where:
Base-Base interactions energy: -631.065
where: short stacking energy: -266.096
Base-Backbone interact. energy: -1.266
local terms energy: -280.170949
where:
bonds (distance) C4'-P energy: -46.117
bonds (distance) P-C4' energy: -49.847
flat angles C4'-P-C4' energy: -59.620
flat angles P-C4'-P energy: -42.821
tors. eta vs tors. theta energy: -81.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -920.383498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.383498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.383498 (E_RNA)
where:
Base-Base interactions energy: -633.640
where: short stacking energy: -248.381
Base-Backbone interact. energy: -3.458
local terms energy: -283.284655
where:
bonds (distance) C4'-P energy: -60.116
bonds (distance) P-C4' energy: -42.317
flat angles C4'-P-C4' energy: -60.943
flat angles P-C4'-P energy: -44.978
tors. eta vs tors. theta energy: -74.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -784.742243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.742243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.742243 (E_RNA)
where:
Base-Base interactions energy: -532.076
where: short stacking energy: -215.694
Base-Backbone interact. energy: -2.004
local terms energy: -250.661945
where:
bonds (distance) C4'-P energy: -56.228
bonds (distance) P-C4' energy: -44.541
flat angles C4'-P-C4' energy: -57.630
flat angles P-C4'-P energy: -34.493
tors. eta vs tors. theta energy: -57.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -766.876375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.876375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.876375 (E_RNA)
where:
Base-Base interactions energy: -541.379
where: short stacking energy: -213.933
Base-Backbone interact. energy: -0.465
local terms energy: -225.032187
where:
bonds (distance) C4'-P energy: -44.938
bonds (distance) P-C4' energy: -49.345
flat angles C4'-P-C4' energy: -51.593
flat angles P-C4'-P energy: -32.561
tors. eta vs tors. theta energy: -46.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -671.417726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.417726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.417726 (E_RNA)
where:
Base-Base interactions energy: -456.008
where: short stacking energy: -184.830
Base-Backbone interact. energy: -0.139
local terms energy: -215.271281
where:
bonds (distance) C4'-P energy: -47.736
bonds (distance) P-C4' energy: -48.043
flat angles C4'-P-C4' energy: -46.832
flat angles P-C4'-P energy: -30.148
tors. eta vs tors. theta energy: -42.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -632.994705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.994705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.994705 (E_RNA)
where:
Base-Base interactions energy: -437.515
where: short stacking energy: -181.141
Base-Backbone interact. energy: -1.854
local terms energy: -193.625467
where:
bonds (distance) C4'-P energy: -45.689
bonds (distance) P-C4' energy: -25.711
flat angles C4'-P-C4' energy: -51.850
flat angles P-C4'-P energy: -32.215
tors. eta vs tors. theta energy: -38.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -626.761801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.761801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.761801 (E_RNA)
where:
Base-Base interactions energy: -416.120
where: short stacking energy: -173.244
Base-Backbone interact. energy: 0.182
local terms energy: -210.823771
where:
bonds (distance) C4'-P energy: -52.241
bonds (distance) P-C4' energy: -39.833
flat angles C4'-P-C4' energy: -33.251
flat angles P-C4'-P energy: -33.737
tors. eta vs tors. theta energy: -51.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -517.484142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.484142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.484142 (E_RNA)
where:
Base-Base interactions energy: -322.210
where: short stacking energy: -151.381
Base-Backbone interact. energy: 0.242
local terms energy: -195.516531
where:
bonds (distance) C4'-P energy: -41.056
bonds (distance) P-C4' energy: -52.725
flat angles C4'-P-C4' energy: -47.667
flat angles P-C4'-P energy: -26.933
tors. eta vs tors. theta energy: -27.135
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: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -970.656340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.656340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.656340 (E_RNA)
where:
Base-Base interactions energy: -683.647
where: short stacking energy: -271.212
Base-Backbone interact. energy: -0.062
local terms energy: -286.947167
where:
bonds (distance) C4'-P energy: -56.145
bonds (distance) P-C4' energy: -59.566
flat angles C4'-P-C4' energy: -55.718
flat angles P-C4'-P energy: -38.292
tors. eta vs tors. theta energy: -77.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -921.408644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.408644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.408644 (E_RNA)
where:
Base-Base interactions energy: -648.502
where: short stacking energy: -263.953
Base-Backbone interact. energy: -0.729
local terms energy: -272.177968
where:
bonds (distance) C4'-P energy: -49.750
bonds (distance) P-C4' energy: -53.468
flat angles C4'-P-C4' energy: -56.031
flat angles P-C4'-P energy: -42.744
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: 3, replica: 10
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -921.043525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.043525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.043525 (E_RNA)
where:
Base-Base interactions energy: -643.155
where: short stacking energy: -259.962
Base-Backbone interact. energy: 0.439
local terms energy: -278.327900
where:
bonds (distance) C4'-P energy: -51.037
bonds (distance) P-C4' energy: -51.950
flat angles C4'-P-C4' energy: -57.824
flat angles P-C4'-P energy: -43.154
tors. eta vs tors. theta energy: -74.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -885.350984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.350984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.350984 (E_RNA)
where:
Base-Base interactions energy: -610.744
where: short stacking energy: -250.080
Base-Backbone interact. energy: -1.894
local terms energy: -272.712974
where:
bonds (distance) C4'-P energy: -53.523
bonds (distance) P-C4' energy: -56.697
flat angles C4'-P-C4' energy: -54.510
flat angles P-C4'-P energy: -36.325
tors. eta vs tors. theta energy: -71.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -787.489361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.489361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.489361 (E_RNA)
where:
Base-Base interactions energy: -563.486
where: short stacking energy: -227.448
Base-Backbone interact. energy: -0.580
local terms energy: -223.422989
where:
bonds (distance) C4'-P energy: -40.775
bonds (distance) P-C4' energy: -45.310
flat angles C4'-P-C4' energy: -50.881
flat angles P-C4'-P energy: -30.109
tors. eta vs tors. theta energy: -56.348
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: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -791.368895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.368895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.368895 (E_RNA)
where:
Base-Base interactions energy: -540.748
where: short stacking energy: -230.254
Base-Backbone interact. energy: 0.988
local terms energy: -251.608899
where:
bonds (distance) C4'-P energy: -50.984
bonds (distance) P-C4' energy: -52.586
flat angles C4'-P-C4' energy: -46.639
flat angles P-C4'-P energy: -44.302
tors. eta vs tors. theta energy: -57.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -693.238219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.238219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.238219 (E_RNA)
where:
Base-Base interactions energy: -479.112
where: short stacking energy: -199.865
Base-Backbone interact. energy: 1.551
local terms energy: -215.677307
where:
bonds (distance) C4'-P energy: -39.056
bonds (distance) P-C4' energy: -34.061
flat angles C4'-P-C4' energy: -55.507
flat angles P-C4'-P energy: -41.741
tors. eta vs tors. theta energy: -45.314
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: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -625.760821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.760821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.760821 (E_RNA)
where:
Base-Base interactions energy: -428.885
where: short stacking energy: -182.879
Base-Backbone interact. energy: -0.723
local terms energy: -196.153429
where:
bonds (distance) C4'-P energy: -44.757
bonds (distance) P-C4' energy: -38.875
flat angles C4'-P-C4' energy: -39.738
flat angles P-C4'-P energy: -35.464
tors. eta vs tors. theta energy: -37.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -611.423153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.423153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.423153 (E_RNA)
where:
Base-Base interactions energy: -416.124
where: short stacking energy: -174.628
Base-Backbone interact. energy: 1.477
local terms energy: -196.775639
where:
bonds (distance) C4'-P energy: -42.837
bonds (distance) P-C4' energy: -37.920
flat angles C4'-P-C4' energy: -49.719
flat angles P-C4'-P energy: -33.330
tors. eta vs tors. theta energy: -32.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -488.752574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.752574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.752574 (E_RNA)
where:
Base-Base interactions energy: -308.362
where: short stacking energy: -145.520
Base-Backbone interact. energy: 1.901
local terms energy: -182.291912
where:
bonds (distance) C4'-P energy: -40.986
bonds (distance) P-C4' energy: -43.968
flat angles C4'-P-C4' energy: -44.648
flat angles P-C4'-P energy: -28.113
tors. eta vs tors. theta energy: -24.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -958.365427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.365427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.365427 (E_RNA)
where:
Base-Base interactions energy: -664.792
where: short stacking energy: -273.084
Base-Backbone interact. energy: -1.881
local terms energy: -291.692315
where:
bonds (distance) C4'-P energy: -58.202
bonds (distance) P-C4' energy: -58.987
flat angles C4'-P-C4' energy: -53.260
flat angles P-C4'-P energy: -39.292
tors. eta vs tors. theta energy: -81.951
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: 10
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -949.358168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.358168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.358168 (E_RNA)
where:
Base-Base interactions energy: -671.404
where: short stacking energy: -292.065
Base-Backbone interact. energy: -1.186
local terms energy: -276.767967
where:
bonds (distance) C4'-P energy: -51.808
bonds (distance) P-C4' energy: -43.927
flat angles C4'-P-C4' energy: -56.397
flat angles P-C4'-P energy: -42.108
tors. eta vs tors. theta energy: -82.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -898.488572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.488572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.488572 (E_RNA)
where:
Base-Base interactions energy: -620.926
where: short stacking energy: -261.274
Base-Backbone interact. energy: -1.060
local terms energy: -276.502075
where:
bonds (distance) C4'-P energy: -55.284
bonds (distance) P-C4' energy: -55.548
flat angles C4'-P-C4' energy: -58.047
flat angles P-C4'-P energy: -35.581
tors. eta vs tors. theta energy: -72.042
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: 4, replica: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -881.842055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.842055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.842055 (E_RNA)
where:
Base-Base interactions energy: -606.837
where: short stacking energy: -248.536
Base-Backbone interact. energy: -1.512
local terms energy: -273.492528
where:
bonds (distance) C4'-P energy: -51.119
bonds (distance) P-C4' energy: -48.685
flat angles C4'-P-C4' energy: -62.718
flat angles P-C4'-P energy: -39.563
tors. eta vs tors. theta energy: -71.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -806.023788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.023788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.023788 (E_RNA)
where:
Base-Base interactions energy: -553.346
where: short stacking energy: -223.344
Base-Backbone interact. energy: -2.367
local terms energy: -250.311273
where:
bonds (distance) C4'-P energy: -50.146
bonds (distance) P-C4' energy: -53.210
flat angles C4'-P-C4' energy: -54.888
flat angles P-C4'-P energy: -35.867
tors. eta vs tors. theta energy: -56.199
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: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -763.098184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.098184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.098184 (E_RNA)
where:
Base-Base interactions energy: -516.735
where: short stacking energy: -210.902
Base-Backbone interact. energy: -1.336
local terms energy: -245.027484
where:
bonds (distance) C4'-P energy: -40.486
bonds (distance) P-C4' energy: -52.582
flat angles C4'-P-C4' energy: -62.469
flat angles P-C4'-P energy: -31.469
tors. eta vs tors. theta energy: -58.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -682.310259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.310259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.310259 (E_RNA)
where:
Base-Base interactions energy: -473.084
where: short stacking energy: -181.570
Base-Backbone interact. energy: -1.434
local terms energy: -207.792923
where:
bonds (distance) C4'-P energy: -50.344
bonds (distance) P-C4' energy: -48.050
flat angles C4'-P-C4' energy: -38.332
flat angles P-C4'-P energy: -28.873
tors. eta vs tors. theta energy: -42.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -614.169007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.169007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.169007 (E_RNA)
where:
Base-Base interactions energy: -396.848
where: short stacking energy: -170.077
Base-Backbone interact. energy: -0.524
local terms energy: -216.796982
where:
bonds (distance) C4'-P energy: -47.548
bonds (distance) P-C4' energy: -47.806
flat angles C4'-P-C4' energy: -58.172
flat angles P-C4'-P energy: -23.493
tors. eta vs tors. theta energy: -39.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -634.251922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.251922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.251922 (E_RNA)
where:
Base-Base interactions energy: -422.537
where: short stacking energy: -175.519
Base-Backbone interact. energy: -1.104
local terms energy: -210.611180
where:
bonds (distance) C4'-P energy: -46.632
bonds (distance) P-C4' energy: -36.432
flat angles C4'-P-C4' energy: -47.855
flat angles P-C4'-P energy: -32.542
tors. eta vs tors. theta energy: -47.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -506.271693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.271693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.271693 (E_RNA)
where:
Base-Base interactions energy: -324.480
where: short stacking energy: -154.405
Base-Backbone interact. energy: -0.303
local terms energy: -181.488595
where:
bonds (distance) C4'-P energy: -35.111
bonds (distance) P-C4' energy: -41.719
flat angles C4'-P-C4' energy: -47.317
flat angles P-C4'-P energy: -19.147
tors. eta vs tors. theta energy: -38.195
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: 1, replica: 10
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -953.214430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.214430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.214430 (E_RNA)
where:
Base-Base interactions energy: -664.779
where: short stacking energy: -279.797
Base-Backbone interact. energy: -1.810
local terms energy: -286.625456
where:
bonds (distance) C4'-P energy: -48.510
bonds (distance) P-C4' energy: -55.062
flat angles C4'-P-C4' energy: -60.926
flat angles P-C4'-P energy: -44.540
tors. eta vs tors. theta energy: -77.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -934.726826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.726826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.726826 (E_RNA)
where:
Base-Base interactions energy: -660.434
where: short stacking energy: -257.404
Base-Backbone interact. energy: -1.346
local terms energy: -272.947404
where:
bonds (distance) C4'-P energy: -52.859
bonds (distance) P-C4' energy: -51.386
flat angles C4'-P-C4' energy: -53.185
flat angles P-C4'-P energy: -42.027
tors. eta vs tors. theta energy: -73.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -911.266833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.266833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.266833 (E_RNA)
where:
Base-Base interactions energy: -635.692
where: short stacking energy: -263.475
Base-Backbone interact. energy: -1.787
local terms energy: -273.787986
where:
bonds (distance) C4'-P energy: -50.392
bonds (distance) P-C4' energy: -48.553
flat angles C4'-P-C4' energy: -53.483
flat angles P-C4'-P energy: -46.416
tors. eta vs tors. theta energy: -74.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -893.621577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.621577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.621577 (E_RNA)
where:
Base-Base interactions energy: -614.167
where: short stacking energy: -240.302
Base-Backbone interact. energy: -2.271
local terms energy: -277.183200
where:
bonds (distance) C4'-P energy: -60.100
bonds (distance) P-C4' energy: -54.314
flat angles C4'-P-C4' energy: -57.076
flat angles P-C4'-P energy: -36.062
tors. eta vs tors. theta energy: -69.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -801.406189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.406189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.406189 (E_RNA)
where:
Base-Base interactions energy: -551.412
where: short stacking energy: -236.131
Base-Backbone interact. energy: -2.607
local terms energy: -247.387226
where:
bonds (distance) C4'-P energy: -31.550
bonds (distance) P-C4' energy: -58.189
flat angles C4'-P-C4' energy: -56.608
flat angles P-C4'-P energy: -38.319
tors. eta vs tors. theta energy: -62.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -754.313230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.313230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.313230 (E_RNA)
where:
Base-Base interactions energy: -510.673
where: short stacking energy: -207.352
Base-Backbone interact. energy: -0.192
local terms energy: -243.448212
where:
bonds (distance) C4'-P energy: -52.958
bonds (distance) P-C4' energy: -57.239
flat angles C4'-P-C4' energy: -44.308
flat angles P-C4'-P energy: -32.428
tors. eta vs tors. theta energy: -56.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -691.548402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.548402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.548402 (E_RNA)
where:
Base-Base interactions energy: -492.216
where: short stacking energy: -201.762
Base-Backbone interact. energy: -1.292
local terms energy: -198.040700
where:
bonds (distance) C4'-P energy: -40.191
bonds (distance) P-C4' energy: -35.073
flat angles C4'-P-C4' energy: -45.328
flat angles P-C4'-P energy: -33.337
tors. eta vs tors. theta energy: -44.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -626.634495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.634495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.634495 (E_RNA)
where:
Base-Base interactions energy: -414.457
where: short stacking energy: -175.892
Base-Backbone interact. energy: 1.016
local terms energy: -213.193759
where:
bonds (distance) C4'-P energy: -42.462
bonds (distance) P-C4' energy: -55.443
flat angles C4'-P-C4' energy: -44.553
flat angles P-C4'-P energy: -32.738
tors. eta vs tors. theta energy: -37.997
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: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -626.637838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.637838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.637838 (E_RNA)
where:
Base-Base interactions energy: -416.529
where: short stacking energy: -181.721
Base-Backbone interact. energy: 1.135
local terms energy: -211.243425
where:
bonds (distance) C4'-P energy: -45.082
bonds (distance) P-C4' energy: -53.178
flat angles C4'-P-C4' energy: -48.397
flat angles P-C4'-P energy: -24.949
tors. eta vs tors. theta energy: -39.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -504.049523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.049523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.049523 (E_RNA)
where:
Base-Base interactions energy: -307.332
where: short stacking energy: -141.954
Base-Backbone interact. energy: -1.041
local terms energy: -195.676909
where:
bonds (distance) C4'-P energy: -55.393
bonds (distance) P-C4' energy: -35.674
flat angles C4'-P-C4' energy: -50.356
flat angles P-C4'-P energy: -27.459
tors. eta vs tors. theta energy: -26.795
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: 10
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -959.026845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.026845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.026845 (E_RNA)
where:
Base-Base interactions energy: -656.702
where: short stacking energy: -272.536
Base-Backbone interact. energy: -0.003
local terms energy: -302.321857
where:
bonds (distance) C4'-P energy: -52.529
bonds (distance) P-C4' energy: -62.196
flat angles C4'-P-C4' energy: -60.246
flat angles P-C4'-P energy: -46.294
tors. eta vs tors. theta energy: -81.057
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: 6
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -953.744551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.744551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.744551 (E_RNA)
where:
Base-Base interactions energy: -646.984
where: short stacking energy: -262.471
Base-Backbone interact. energy: -1.685
local terms energy: -305.075655
where:
bonds (distance) C4'-P energy: -56.361
bonds (distance) P-C4' energy: -53.372
flat angles C4'-P-C4' energy: -61.010
flat angles P-C4'-P energy: -50.435
tors. eta vs tors. theta energy: -83.897
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: 3, replica: 5
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -916.389866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.389866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.389866 (E_RNA)
where:
Base-Base interactions energy: -643.844
where: short stacking energy: -256.611
Base-Backbone interact. energy: -1.238
local terms energy: -271.308277
where:
bonds (distance) C4'-P energy: -55.502
bonds (distance) P-C4' energy: -52.954
flat angles C4'-P-C4' energy: -52.896
flat angles P-C4'-P energy: -35.272
tors. eta vs tors. theta energy: -74.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -871.840749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.840749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.840749 (E_RNA)
where:
Base-Base interactions energy: -618.706
where: short stacking energy: -257.604
Base-Backbone interact. energy: 0.333
local terms energy: -253.467613
where:
bonds (distance) C4'-P energy: -47.462
bonds (distance) P-C4' energy: -56.409
flat angles C4'-P-C4' energy: -53.801
flat angles P-C4'-P energy: -34.387
tors. eta vs tors. theta energy: -61.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -797.999365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.999365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.999365 (E_RNA)
where:
Base-Base interactions energy: -544.025
where: short stacking energy: -226.050
Base-Backbone interact. energy: -1.036
local terms energy: -252.937777
where:
bonds (distance) C4'-P energy: -47.368
bonds (distance) P-C4' energy: -47.157
flat angles C4'-P-C4' energy: -56.795
flat angles P-C4'-P energy: -40.824
tors. eta vs tors. theta energy: -60.793
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: 4
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -755.041266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.041266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.041266 (E_RNA)
where:
Base-Base interactions energy: -510.607
where: short stacking energy: -203.102
Base-Backbone interact. energy: -1.822
local terms energy: -242.611757
where:
bonds (distance) C4'-P energy: -47.394
bonds (distance) P-C4' energy: -51.556
flat angles C4'-P-C4' energy: -55.618
flat angles P-C4'-P energy: -40.534
tors. eta vs tors. theta energy: -47.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -709.673431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.673431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.673431 (E_RNA)
where:
Base-Base interactions energy: -488.510
where: short stacking energy: -185.716
Base-Backbone interact. energy: -1.187
local terms energy: -219.976619
where:
bonds (distance) C4'-P energy: -39.147
bonds (distance) P-C4' energy: -51.828
flat angles C4'-P-C4' energy: -51.216
flat angles P-C4'-P energy: -33.746
tors. eta vs tors. theta energy: -44.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -629.369617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.369617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.369617 (E_RNA)
where:
Base-Base interactions energy: -444.969
where: short stacking energy: -189.069
Base-Backbone interact. energy: -1.588
local terms energy: -182.812710
where:
bonds (distance) C4'-P energy: -32.622
bonds (distance) P-C4' energy: -43.253
flat angles C4'-P-C4' energy: -35.751
flat angles P-C4'-P energy: -31.223
tors. eta vs tors. theta energy: -39.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -595.457779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.457779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.457779 (E_RNA)
where:
Base-Base interactions energy: -414.492
where: short stacking energy: -168.059
Base-Backbone interact. energy: 0.738
local terms energy: -181.703690
where:
bonds (distance) C4'-P energy: -45.839
bonds (distance) P-C4' energy: -42.068
flat angles C4'-P-C4' energy: -40.479
flat angles P-C4'-P energy: -22.957
tors. eta vs tors. theta energy: -30.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -488.993881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.993881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.993881 (E_RNA)
where:
Base-Base interactions energy: -328.874
where: short stacking energy: -143.784
Base-Backbone interact. energy: -1.664
local terms energy: -158.455523
where:
bonds (distance) C4'-P energy: -38.301
bonds (distance) P-C4' energy: -33.420
flat angles C4'-P-C4' energy: -42.528
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -30.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -967.369959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.369959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.369959 (E_RNA)
where:
Base-Base interactions energy: -667.922
where: short stacking energy: -271.693
Base-Backbone interact. energy: -1.812
local terms energy: -297.635925
where:
bonds (distance) C4'-P energy: -57.089
bonds (distance) P-C4' energy: -55.737
flat angles C4'-P-C4' energy: -62.879
flat angles P-C4'-P energy: -42.429
tors. eta vs tors. theta energy: -79.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -958.811161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.811161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.811161 (E_RNA)
where:
Base-Base interactions energy: -661.584
where: short stacking energy: -274.172
Base-Backbone interact. energy: -2.438
local terms energy: -294.789627
where:
bonds (distance) C4'-P energy: -55.476
bonds (distance) P-C4' energy: -52.996
flat angles C4'-P-C4' energy: -56.750
flat angles P-C4'-P energy: -44.065
tors. eta vs tors. theta energy: -85.502
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: 5
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -928.899727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.899727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.899727 (E_RNA)
where:
Base-Base interactions energy: -666.862
where: short stacking energy: -265.233
Base-Backbone interact. energy: -1.524
local terms energy: -260.513449
where:
bonds (distance) C4'-P energy: -39.258
bonds (distance) P-C4' energy: -53.207
flat angles C4'-P-C4' energy: -60.450
flat angles P-C4'-P energy: -35.446
tors. eta vs tors. theta energy: -72.153
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: 4, replica: 1
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -884.188198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.188198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.188198 (E_RNA)
where:
Base-Base interactions energy: -627.378
where: short stacking energy: -253.913
Base-Backbone interact. energy: 1.728
local terms energy: -258.537392
where:
bonds (distance) C4'-P energy: -44.421
bonds (distance) P-C4' energy: -53.253
flat angles C4'-P-C4' energy: -54.132
flat angles P-C4'-P energy: -42.055
tors. eta vs tors. theta energy: -64.677
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: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -801.603536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.603536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.603536 (E_RNA)
where:
Base-Base interactions energy: -550.663
where: short stacking energy: -234.056
Base-Backbone interact. energy: 2.589
local terms energy: -253.528952
where:
bonds (distance) C4'-P energy: -48.599
bonds (distance) P-C4' energy: -52.118
flat angles C4'-P-C4' energy: -61.150
flat angles P-C4'-P energy: -33.444
tors. eta vs tors. theta energy: -58.218
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: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -784.437349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.437349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.437349 (E_RNA)
where:
Base-Base interactions energy: -543.637
where: short stacking energy: -211.329
Base-Backbone interact. energy: -1.202
local terms energy: -239.598015
where:
bonds (distance) C4'-P energy: -43.501
bonds (distance) P-C4' energy: -50.255
flat angles C4'-P-C4' energy: -54.201
flat angles P-C4'-P energy: -38.196
tors. eta vs tors. theta energy: -53.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -725.670207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.670207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.670207 (E_RNA)
where:
Base-Base interactions energy: -496.210
where: short stacking energy: -205.926
Base-Backbone interact. energy: -1.160
local terms energy: -228.300418
where:
bonds (distance) C4'-P energy: -50.509
bonds (distance) P-C4' energy: -44.170
flat angles C4'-P-C4' energy: -48.871
flat angles P-C4'-P energy: -31.029
tors. eta vs tors. theta energy: -53.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -608.804774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.804774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.804774 (E_RNA)
where:
Base-Base interactions energy: -386.939
where: short stacking energy: -174.138
Base-Backbone interact. energy: 0.983
local terms energy: -222.848093
where:
bonds (distance) C4'-P energy: -43.962
bonds (distance) P-C4' energy: -49.066
flat angles C4'-P-C4' energy: -58.272
flat angles P-C4'-P energy: -37.792
tors. eta vs tors. theta energy: -33.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -599.638229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.638229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.638229 (E_RNA)
where:
Base-Base interactions energy: -419.271
where: short stacking energy: -189.979
Base-Backbone interact. energy: -0.596
local terms energy: -179.771185
where:
bonds (distance) C4'-P energy: -42.326
bonds (distance) P-C4' energy: -41.090
flat angles C4'-P-C4' energy: -34.560
flat angles P-C4'-P energy: -27.488
tors. eta vs tors. theta energy: -34.307
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: 3
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -499.088739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.088739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.088739 (E_RNA)
where:
Base-Base interactions energy: -309.894
where: short stacking energy: -156.734
Base-Backbone interact. energy: -0.995
local terms energy: -188.199616
where:
bonds (distance) C4'-P energy: -44.456
bonds (distance) P-C4' energy: -42.780
flat angles C4'-P-C4' energy: -46.659
flat angles P-C4'-P energy: -28.649
tors. eta vs tors. theta energy: -25.655
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: 10
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -959.044182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.044182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.044182 (E_RNA)
where:
Base-Base interactions energy: -662.653
where: short stacking energy: -262.152
Base-Backbone interact. energy: -1.234
local terms energy: -295.157541
where:
bonds (distance) C4'-P energy: -52.556
bonds (distance) P-C4' energy: -56.915
flat angles C4'-P-C4' energy: -63.839
flat angles P-C4'-P energy: -44.390
tors. eta vs tors. theta energy: -77.457
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: 6
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -958.333306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.333306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.333306 (E_RNA)
where:
Base-Base interactions energy: -675.312
where: short stacking energy: -275.904
Base-Backbone interact. energy: -2.415
local terms energy: -280.605904
where:
bonds (distance) C4'-P energy: -47.209
bonds (distance) P-C4' energy: -42.097
flat angles C4'-P-C4' energy: -65.081
flat angles P-C4'-P energy: -46.684
tors. eta vs tors. theta energy: -79.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -916.777645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.777645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.777645 (E_RNA)
where:
Base-Base interactions energy: -648.672
where: short stacking energy: -257.908
Base-Backbone interact. energy: -0.816
local terms energy: -267.289889
where:
bonds (distance) C4'-P energy: -49.177
bonds (distance) P-C4' energy: -55.283
flat angles C4'-P-C4' energy: -57.934
flat angles P-C4'-P energy: -33.445
tors. eta vs tors. theta energy: -71.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -879.720681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.720681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.720681 (E_RNA)
where:
Base-Base interactions energy: -632.940
where: short stacking energy: -254.583
Base-Backbone interact. energy: 0.737
local terms energy: -247.518255
where:
bonds (distance) C4'-P energy: -39.661
bonds (distance) P-C4' energy: -52.889
flat angles C4'-P-C4' energy: -54.506
flat angles P-C4'-P energy: -34.848
tors. eta vs tors. theta energy: -65.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -816.008043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.008043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.008043 (E_RNA)
where:
Base-Base interactions energy: -544.829
where: short stacking energy: -229.759
Base-Backbone interact. energy: -2.740
local terms energy: -268.438881
where:
bonds (distance) C4'-P energy: -51.619
bonds (distance) P-C4' energy: -53.191
flat angles C4'-P-C4' energy: -53.218
flat angles P-C4'-P energy: -43.119
tors. eta vs tors. theta energy: -67.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -799.539613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.539613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.539613 (E_RNA)
where:
Base-Base interactions energy: -555.678
where: short stacking energy: -224.615
Base-Backbone interact. energy: -0.693
local terms energy: -243.169004
where:
bonds (distance) C4'-P energy: -50.288
bonds (distance) P-C4' energy: -47.113
flat angles C4'-P-C4' energy: -42.529
flat angles P-C4'-P energy: -35.075
tors. eta vs tors. theta energy: -68.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -719.836817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.836817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.836817 (E_RNA)
where:
Base-Base interactions energy: -518.169
where: short stacking energy: -199.652
Base-Backbone interact. energy: -0.257
local terms energy: -201.410875
where:
bonds (distance) C4'-P energy: -37.492
bonds (distance) P-C4' energy: -45.082
flat angles C4'-P-C4' energy: -41.959
flat angles P-C4'-P energy: -35.304
tors. eta vs tors. theta energy: -41.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -631.590046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.590046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.590046 (E_RNA)
where:
Base-Base interactions energy: -411.813
where: short stacking energy: -166.419
Base-Backbone interact. energy: -1.095
local terms energy: -218.681873
where:
bonds (distance) C4'-P energy: -48.067
bonds (distance) P-C4' energy: -50.093
flat angles C4'-P-C4' energy: -53.558
flat angles P-C4'-P energy: -30.182
tors. eta vs tors. theta energy: -36.783
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: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -617.670984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.670984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.670984 (E_RNA)
where:
Base-Base interactions energy: -420.302
where: short stacking energy: -182.068
Base-Backbone interact. energy: -1.597
local terms energy: -195.771601
where:
bonds (distance) C4'-P energy: -37.001
bonds (distance) P-C4' energy: -42.718
flat angles C4'-P-C4' energy: -48.070
flat angles P-C4'-P energy: -32.027
tors. eta vs tors. theta energy: -35.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -510.048692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.048692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.048692 (E_RNA)
where:
Base-Base interactions energy: -308.724
where: short stacking energy: -147.372
Base-Backbone interact. energy: -0.289
local terms energy: -201.035897
where:
bonds (distance) C4'-P energy: -53.624
bonds (distance) P-C4' energy: -44.515
flat angles C4'-P-C4' energy: -45.058
flat angles P-C4'-P energy: -24.374
tors. eta vs tors. theta energy: -33.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -983.183076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.183076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.183076 (E_RNA)
where:
Base-Base interactions energy: -700.612
where: short stacking energy: -290.342
Base-Backbone interact. energy: -2.483
local terms energy: -280.088451
where:
bonds (distance) C4'-P energy: -50.542
bonds (distance) P-C4' energy: -55.166
flat angles C4'-P-C4' energy: -55.822
flat angles P-C4'-P energy: -35.036
tors. eta vs tors. theta energy: -83.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -950.465488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.465488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.465488 (E_RNA)
where:
Base-Base interactions energy: -664.473
where: short stacking energy: -277.872
Base-Backbone interact. energy: -1.760
local terms energy: -284.232038
where:
bonds (distance) C4'-P energy: -52.527
bonds (distance) P-C4' energy: -45.579
flat angles C4'-P-C4' energy: -61.513
flat angles P-C4'-P energy: -42.239
tors. eta vs tors. theta energy: -82.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -906.289991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.289991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.289991 (E_RNA)
where:
Base-Base interactions energy: -635.649
where: short stacking energy: -258.123
Base-Backbone interact. energy: -3.093
local terms energy: -267.548676
where:
bonds (distance) C4'-P energy: -46.748
bonds (distance) P-C4' energy: -53.604
flat angles C4'-P-C4' energy: -59.557
flat angles P-C4'-P energy: -40.976
tors. eta vs tors. theta energy: -66.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -890.396981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.396981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.396981 (E_RNA)
where:
Base-Base interactions energy: -644.334
where: short stacking energy: -251.557
Base-Backbone interact. energy: -0.604
local terms energy: -245.459026
where:
bonds (distance) C4'-P energy: -36.989
bonds (distance) P-C4' energy: -44.115
flat angles C4'-P-C4' energy: -56.696
flat angles P-C4'-P energy: -39.680
tors. eta vs tors. theta energy: -67.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -807.219746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.219746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.219746 (E_RNA)
where:
Base-Base interactions energy: -545.860
where: short stacking energy: -221.059
Base-Backbone interact. energy: -1.171
local terms energy: -260.189437
where:
bonds (distance) C4'-P energy: -44.361
bonds (distance) P-C4' energy: -54.543
flat angles C4'-P-C4' energy: -57.927
flat angles P-C4'-P energy: -42.142
tors. eta vs tors. theta energy: -61.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -764.230560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.230560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.230560 (E_RNA)
where:
Base-Base interactions energy: -522.761
where: short stacking energy: -211.887
Base-Backbone interact. energy: -0.462
local terms energy: -241.008174
where:
bonds (distance) C4'-P energy: -45.300
bonds (distance) P-C4' energy: -46.862
flat angles C4'-P-C4' energy: -57.065
flat angles P-C4'-P energy: -40.002
tors. eta vs tors. theta energy: -51.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -731.415481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.415481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.415481 (E_RNA)
where:
Base-Base interactions energy: -483.849
where: short stacking energy: -207.527
Base-Backbone interact. energy: -1.312
local terms energy: -246.254450
where:
bonds (distance) C4'-P energy: -48.567
bonds (distance) P-C4' energy: -52.233
flat angles C4'-P-C4' energy: -55.249
flat angles P-C4'-P energy: -34.714
tors. eta vs tors. theta energy: -55.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -610.353683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.353683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.353683 (E_RNA)
where:
Base-Base interactions energy: -397.934
where: short stacking energy: -168.855
Base-Backbone interact. energy: 0.150
local terms energy: -212.569950
where:
bonds (distance) C4'-P energy: -43.054
bonds (distance) P-C4' energy: -51.089
flat angles C4'-P-C4' energy: -50.613
flat angles P-C4'-P energy: -35.090
tors. eta vs tors. theta energy: -32.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -637.651488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.651488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.651488 (E_RNA)
where:
Base-Base interactions energy: -410.322
where: short stacking energy: -176.597
Base-Backbone interact. energy: -2.656
local terms energy: -224.673056
where:
bonds (distance) C4'-P energy: -53.554
bonds (distance) P-C4' energy: -44.362
flat angles C4'-P-C4' energy: -55.700
flat angles P-C4'-P energy: -33.874
tors. eta vs tors. theta energy: -37.183
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: 10, replica: 3
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -509.991636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.991636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.991636 (E_RNA)
where:
Base-Base interactions energy: -344.696
where: short stacking energy: -160.244
Base-Backbone interact. energy: 7.278
local terms energy: -172.573194
where:
bonds (distance) C4'-P energy: -38.510
bonds (distance) P-C4' energy: -48.192
flat angles C4'-P-C4' energy: -34.652
flat angles P-C4'-P energy: -18.093
tors. eta vs tors. theta energy: -33.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -969.490368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.490368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.490368 (E_RNA)
where:
Base-Base interactions energy: -668.064
where: short stacking energy: -266.741
Base-Backbone interact. energy: -0.955
local terms energy: -300.470933
where:
bonds (distance) C4'-P energy: -53.447
bonds (distance) P-C4' energy: -63.157
flat angles C4'-P-C4' energy: -59.600
flat angles P-C4'-P energy: -44.087
tors. eta vs tors. theta energy: -80.180
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: 6
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -926.231923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.231923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.231923 (E_RNA)
where:
Base-Base interactions energy: -634.172
where: short stacking energy: -258.426
Base-Backbone interact. energy: -1.582
local terms energy: -290.477649
where:
bonds (distance) C4'-P energy: -54.985
bonds (distance) P-C4' energy: -60.694
flat angles C4'-P-C4' energy: -54.043
flat angles P-C4'-P energy: -39.780
tors. eta vs tors. theta energy: -80.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -898.088959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.088959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.088959 (E_RNA)
where:
Base-Base interactions energy: -629.180
where: short stacking energy: -251.440
Base-Backbone interact. energy: -2.070
local terms energy: -266.839202
where:
bonds (distance) C4'-P energy: -47.526
bonds (distance) P-C4' energy: -56.179
flat angles C4'-P-C4' energy: -56.460
flat angles P-C4'-P energy: -38.372
tors. eta vs tors. theta energy: -68.304
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: 1
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -893.401610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.401610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.401610 (E_RNA)
where:
Base-Base interactions energy: -647.143
where: short stacking energy: -242.275
Base-Backbone interact. energy: -1.572
local terms energy: -244.687371
where:
bonds (distance) C4'-P energy: -43.175
bonds (distance) P-C4' energy: -54.790
flat angles C4'-P-C4' energy: -47.370
flat angles P-C4'-P energy: -31.937
tors. eta vs tors. theta energy: -67.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -829.915864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.915864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.915864 (E_RNA)
where:
Base-Base interactions energy: -564.203
where: short stacking energy: -232.519
Base-Backbone interact. energy: 0.895
local terms energy: -266.607331
where:
bonds (distance) C4'-P energy: -48.192
bonds (distance) P-C4' energy: -56.241
flat angles C4'-P-C4' energy: -56.274
flat angles P-C4'-P energy: -39.364
tors. eta vs tors. theta energy: -66.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -760.279530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.279530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.279530 (E_RNA)
where:
Base-Base interactions energy: -515.711
where: short stacking energy: -213.668
Base-Backbone interact. energy: -0.477
local terms energy: -244.090976
where:
bonds (distance) C4'-P energy: -53.322
bonds (distance) P-C4' energy: -51.624
flat angles C4'-P-C4' energy: -44.304
flat angles P-C4'-P energy: -38.347
tors. eta vs tors. theta energy: -56.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -727.920836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.920836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.920836 (E_RNA)
where:
Base-Base interactions energy: -483.194
where: short stacking energy: -206.344
Base-Backbone interact. energy: 2.589
local terms energy: -247.315981
where:
bonds (distance) C4'-P energy: -42.782
bonds (distance) P-C4' energy: -55.958
flat angles C4'-P-C4' energy: -50.756
flat angles P-C4'-P energy: -36.027
tors. eta vs tors. theta energy: -61.794
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: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -628.771517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.771517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.771517 (E_RNA)
where:
Base-Base interactions energy: -421.254
where: short stacking energy: -158.395
Base-Backbone interact. energy: -0.088
local terms energy: -207.429240
where:
bonds (distance) C4'-P energy: -43.635
bonds (distance) P-C4' energy: -51.779
flat angles C4'-P-C4' energy: -45.485
flat angles P-C4'-P energy: -31.430
tors. eta vs tors. theta energy: -35.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -613.978016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.978016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.978016 (E_RNA)
where:
Base-Base interactions energy: -394.580
where: short stacking energy: -166.138
Base-Backbone interact. energy: 0.585
local terms energy: -219.983098
where:
bonds (distance) C4'-P energy: -43.108
bonds (distance) P-C4' energy: -58.541
flat angles C4'-P-C4' energy: -50.723
flat angles P-C4'-P energy: -31.332
tors. eta vs tors. theta energy: -36.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -526.294069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.294069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.294069 (E_RNA)
where:
Base-Base interactions energy: -337.124
where: short stacking energy: -173.342
Base-Backbone interact. energy: -0.226
local terms energy: -188.944288
where:
bonds (distance) C4'-P energy: -49.411
bonds (distance) P-C4' energy: -47.374
flat angles C4'-P-C4' energy: -39.305
flat angles P-C4'-P energy: -21.458
tors. eta vs tors. theta energy: -31.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -970.742598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.742598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.742598 (E_RNA)
where:
Base-Base interactions energy: -671.877
where: short stacking energy: -283.161
Base-Backbone interact. energy: -2.645
local terms energy: -296.220331
where:
bonds (distance) C4'-P energy: -48.070
bonds (distance) P-C4' energy: -53.180
flat angles C4'-P-C4' energy: -63.163
flat angles P-C4'-P energy: -50.672
tors. eta vs tors. theta energy: -81.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -938.220480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.220480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.220480 (E_RNA)
where:
Base-Base interactions energy: -657.965
where: short stacking energy: -260.375
Base-Backbone interact. energy: -1.388
local terms energy: -278.867855
where:
bonds (distance) C4'-P energy: -53.427
bonds (distance) P-C4' energy: -52.606
flat angles C4'-P-C4' energy: -55.287
flat angles P-C4'-P energy: -41.232
tors. eta vs tors. theta energy: -76.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -917.723072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.723072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.723072 (E_RNA)
where:
Base-Base interactions energy: -636.818
where: short stacking energy: -263.698
Base-Backbone interact. energy: -0.963
local terms energy: -279.942397
where:
bonds (distance) C4'-P energy: -51.956
bonds (distance) P-C4' energy: -48.088
flat angles C4'-P-C4' energy: -62.364
flat angles P-C4'-P energy: -42.945
tors. eta vs tors. theta energy: -74.589
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: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -860.077862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.077862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.077862 (E_RNA)
where:
Base-Base interactions energy: -618.882
where: short stacking energy: -255.468
Base-Backbone interact. energy: -0.615
local terms energy: -240.580964
where:
bonds (distance) C4'-P energy: -44.423
bonds (distance) P-C4' energy: -47.127
flat angles C4'-P-C4' energy: -54.215
flat angles P-C4'-P energy: -35.028
tors. eta vs tors. theta energy: -59.788
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: 2
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -817.212126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.212126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.212126 (E_RNA)
where:
Base-Base interactions energy: -567.050
where: short stacking energy: -224.158
Base-Backbone interact. energy: -1.953
local terms energy: -248.208524
where:
bonds (distance) C4'-P energy: -41.935
bonds (distance) P-C4' energy: -50.752
flat angles C4'-P-C4' energy: -55.026
flat angles P-C4'-P energy: -42.516
tors. eta vs tors. theta energy: -57.979
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: 4
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -769.661074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.661074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.661074 (E_RNA)
where:
Base-Base interactions energy: -529.890
where: short stacking energy: -221.214
Base-Backbone interact. energy: -2.448
local terms energy: -237.323777
where:
bonds (distance) C4'-P energy: -43.576
bonds (distance) P-C4' energy: -49.297
flat angles C4'-P-C4' energy: -51.454
flat angles P-C4'-P energy: -31.660
tors. eta vs tors. theta energy: -61.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -695.142561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.142561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.142561 (E_RNA)
where:
Base-Base interactions energy: -471.307
where: short stacking energy: -193.975
Base-Backbone interact. energy: -0.867
local terms energy: -222.968821
where:
bonds (distance) C4'-P energy: -42.931
bonds (distance) P-C4' energy: -48.188
flat angles C4'-P-C4' energy: -42.051
flat angles P-C4'-P energy: -38.182
tors. eta vs tors. theta energy: -51.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -623.920164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.920164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.920164 (E_RNA)
where:
Base-Base interactions energy: -429.372
where: short stacking energy: -170.766
Base-Backbone interact. energy: -1.846
local terms energy: -192.702371
where:
bonds (distance) C4'-P energy: -47.678
bonds (distance) P-C4' energy: -43.456
flat angles C4'-P-C4' energy: -42.705
flat angles P-C4'-P energy: -26.320
tors. eta vs tors. theta energy: -32.543
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: 250
Temperature: 1.300000
Total energy: -630.780041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.780041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.780041 (E_RNA)
where:
Base-Base interactions energy: -417.642
where: short stacking energy: -183.233
Base-Backbone interact. energy: -1.102
local terms energy: -212.036403
where:
bonds (distance) C4'-P energy: -44.875
bonds (distance) P-C4' energy: -50.659
flat angles C4'-P-C4' energy: -46.017
flat angles P-C4'-P energy: -26.365
tors. eta vs tors. theta energy: -44.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -529.947905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.947905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.947905 (E_RNA)
where:
Base-Base interactions energy: -322.411
where: short stacking energy: -151.870
Base-Backbone interact. energy: -1.065
local terms energy: -206.471803
where:
bonds (distance) C4'-P energy: -41.747
bonds (distance) P-C4' energy: -50.012
flat angles C4'-P-C4' energy: -42.308
flat angles P-C4'-P energy: -34.824
tors. eta vs tors. theta energy: -37.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -969.540184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.540184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.540184 (E_RNA)
where:
Base-Base interactions energy: -677.186
where: short stacking energy: -284.722
Base-Backbone interact. energy: -1.524
local terms energy: -290.830564
where:
bonds (distance) C4'-P energy: -55.051
bonds (distance) P-C4' energy: -50.360
flat angles C4'-P-C4' energy: -65.447
flat angles P-C4'-P energy: -35.089
tors. eta vs tors. theta energy: -84.883
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: 10
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -959.717541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.717541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.717541 (E_RNA)
where:
Base-Base interactions energy: -670.864
where: short stacking energy: -283.354
Base-Backbone interact. energy: -1.098
local terms energy: -287.755265
where:
bonds (distance) C4'-P energy: -52.225
bonds (distance) P-C4' energy: -53.367
flat angles C4'-P-C4' energy: -61.177
flat angles P-C4'-P energy: -44.798
tors. eta vs tors. theta energy: -76.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -926.515046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.515046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.515046 (E_RNA)
where:
Base-Base interactions energy: -646.932
where: short stacking energy: -265.970
Base-Backbone interact. energy: -0.820
local terms energy: -278.763597
where:
bonds (distance) C4'-P energy: -57.932
bonds (distance) P-C4' energy: -46.211
flat angles C4'-P-C4' energy: -60.998
flat angles P-C4'-P energy: -39.768
tors. eta vs tors. theta energy: -73.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -841.189175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.189175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.189175 (E_RNA)
where:
Base-Base interactions energy: -573.828
where: short stacking energy: -239.052
Base-Backbone interact. energy: -1.838
local terms energy: -265.523146
where:
bonds (distance) C4'-P energy: -45.732
bonds (distance) P-C4' energy: -47.040
flat angles C4'-P-C4' energy: -59.985
flat angles P-C4'-P energy: -36.924
tors. eta vs tors. theta energy: -75.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -851.191067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.191067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.191067 (E_RNA)
where:
Base-Base interactions energy: -610.323
where: short stacking energy: -245.432
Base-Backbone interact. energy: 0.819
local terms energy: -241.686921
where:
bonds (distance) C4'-P energy: -45.276
bonds (distance) P-C4' energy: -54.295
flat angles C4'-P-C4' energy: -45.604
flat angles P-C4'-P energy: -34.687
tors. eta vs tors. theta energy: -61.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -758.263153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.263153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.263153 (E_RNA)
where:
Base-Base interactions energy: -533.242
where: short stacking energy: -226.529
Base-Backbone interact. energy: -0.677
local terms energy: -224.343988
where:
bonds (distance) C4'-P energy: -43.510
bonds (distance) P-C4' energy: -36.328
flat angles C4'-P-C4' energy: -49.452
flat angles P-C4'-P energy: -34.800
tors. eta vs tors. theta energy: -60.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -757.203305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.203305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.203305 (E_RNA)
where:
Base-Base interactions energy: -506.550
where: short stacking energy: -213.031
Base-Backbone interact. energy: -2.188
local terms energy: -248.465900
where:
bonds (distance) C4'-P energy: -52.424
bonds (distance) P-C4' energy: -53.573
flat angles C4'-P-C4' energy: -51.845
flat angles P-C4'-P energy: -34.276
tors. eta vs tors. theta energy: -56.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -642.228031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.228031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.228031 (E_RNA)
where:
Base-Base interactions energy: -423.810
where: short stacking energy: -182.912
Base-Backbone interact. energy: -1.701
local terms energy: -216.717311
where:
bonds (distance) C4'-P energy: -49.025
bonds (distance) P-C4' energy: -47.203
flat angles C4'-P-C4' energy: -40.606
flat angles P-C4'-P energy: -34.519
tors. eta vs tors. theta energy: -45.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -594.282168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.282168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.282168 (E_RNA)
where:
Base-Base interactions energy: -395.901
where: short stacking energy: -156.256
Base-Backbone interact. energy: 1.313
local terms energy: -199.693494
where:
bonds (distance) C4'-P energy: -33.820
bonds (distance) P-C4' energy: -51.384
flat angles C4'-P-C4' energy: -54.492
flat angles P-C4'-P energy: -22.408
tors. eta vs tors. theta energy: -37.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -502.508378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.508378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.508378 (E_RNA)
where:
Base-Base interactions energy: -307.947
where: short stacking energy: -151.066
Base-Backbone interact. energy: -0.254
local terms energy: -194.307355
where:
bonds (distance) C4'-P energy: -50.357
bonds (distance) P-C4' energy: -36.811
flat angles C4'-P-C4' energy: -46.538
flat angles P-C4'-P energy: -27.876
tors. eta vs tors. theta energy: -32.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1003.253485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.253485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.253485 (E_RNA)
where:
Base-Base interactions energy: -701.255
where: short stacking energy: -298.363
Base-Backbone interact. energy: -0.640
local terms energy: -301.358469
where:
bonds (distance) C4'-P energy: -61.530
bonds (distance) P-C4' energy: -54.186
flat angles C4'-P-C4' energy: -58.385
flat angles P-C4'-P energy: -43.154
tors. eta vs tors. theta energy: -84.104
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: 2, replica: 6
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -938.117846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.117846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.117846 (E_RNA)
where:
Base-Base interactions energy: -645.447
where: short stacking energy: -270.328
Base-Backbone interact. energy: -4.087
local terms energy: -288.583344
where:
bonds (distance) C4'-P energy: -44.664
bonds (distance) P-C4' energy: -55.941
flat angles C4'-P-C4' energy: -59.991
flat angles P-C4'-P energy: -40.588
tors. eta vs tors. theta energy: -87.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -903.722205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.722205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.722205 (E_RNA)
where:
Base-Base interactions energy: -614.230
where: short stacking energy: -257.949
Base-Backbone interact. energy: -1.632
local terms energy: -287.860064
where:
bonds (distance) C4'-P energy: -43.607
bonds (distance) P-C4' energy: -56.394
flat angles C4'-P-C4' energy: -67.175
flat angles P-C4'-P energy: -39.363
tors. eta vs tors. theta energy: -81.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -848.922482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.922482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.922482 (E_RNA)
where:
Base-Base interactions energy: -586.815
where: short stacking energy: -246.888
Base-Backbone interact. energy: -0.642
local terms energy: -261.465989
where:
bonds (distance) C4'-P energy: -40.790
bonds (distance) P-C4' energy: -52.442
flat angles C4'-P-C4' energy: -56.787
flat angles P-C4'-P energy: -41.440
tors. eta vs tors. theta energy: -70.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -838.991577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.991577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.991577 (E_RNA)
where:
Base-Base interactions energy: -587.402
where: short stacking energy: -224.898
Base-Backbone interact. energy: -0.725
local terms energy: -250.865301
where:
bonds (distance) C4'-P energy: -46.651
bonds (distance) P-C4' energy: -49.423
flat angles C4'-P-C4' energy: -60.475
flat angles P-C4'-P energy: -31.627
tors. eta vs tors. theta energy: -62.689
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: 6, replica: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -751.989915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.989915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.989915 (E_RNA)
where:
Base-Base interactions energy: -518.199
where: short stacking energy: -219.434
Base-Backbone interact. energy: 1.174
local terms energy: -234.964831
where:
bonds (distance) C4'-P energy: -48.960
bonds (distance) P-C4' energy: -45.383
flat angles C4'-P-C4' energy: -49.009
flat angles P-C4'-P energy: -31.696
tors. eta vs tors. theta energy: -59.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -727.978257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.978257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.978257 (E_RNA)
where:
Base-Base interactions energy: -509.417
where: short stacking energy: -212.865
Base-Backbone interact. energy: -0.705
local terms energy: -217.856154
where:
bonds (distance) C4'-P energy: -56.576
bonds (distance) P-C4' energy: -44.672
flat angles C4'-P-C4' energy: -39.859
flat angles P-C4'-P energy: -24.685
tors. eta vs tors. theta energy: -52.064
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: 9
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -641.985406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.985406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.985406 (E_RNA)
where:
Base-Base interactions energy: -421.905
where: short stacking energy: -171.356
Base-Backbone interact. energy: -0.548
local terms energy: -219.532470
where:
bonds (distance) C4'-P energy: -43.679
bonds (distance) P-C4' energy: -47.211
flat angles C4'-P-C4' energy: -48.099
flat angles P-C4'-P energy: -42.470
tors. eta vs tors. theta energy: -38.073
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: 8
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -624.304086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.304086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.304086 (E_RNA)
where:
Base-Base interactions energy: -418.089
where: short stacking energy: -173.799
Base-Backbone interact. energy: -1.471
local terms energy: -204.744009
where:
bonds (distance) C4'-P energy: -45.244
bonds (distance) P-C4' energy: -48.447
flat angles C4'-P-C4' energy: -38.961
flat angles P-C4'-P energy: -36.816
tors. eta vs tors. theta energy: -35.276
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: 3
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -462.424672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.424672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.424672 (E_RNA)
where:
Base-Base interactions energy: -296.199
where: short stacking energy: -142.852
Base-Backbone interact. energy: 7.041
local terms energy: -173.266392
where:
bonds (distance) C4'-P energy: -44.835
bonds (distance) P-C4' energy: -46.825
flat angles C4'-P-C4' energy: -39.901
flat angles P-C4'-P energy: -26.184
tors. eta vs tors. theta energy: -15.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -979.991605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.991605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.991605 (E_RNA)
where:
Base-Base interactions energy: -689.784
where: short stacking energy: -269.609
Base-Backbone interact. energy: -1.741
local terms energy: -288.466391
where:
bonds (distance) C4'-P energy: -47.845
bonds (distance) P-C4' energy: -52.983
flat angles C4'-P-C4' energy: -63.758
flat angles P-C4'-P energy: -39.413
tors. eta vs tors. theta energy: -84.467
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: 5
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -943.479144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.479144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.479144 (E_RNA)
where:
Base-Base interactions energy: -659.078
where: short stacking energy: -268.697
Base-Backbone interact. energy: -1.114
local terms energy: -283.287357
where:
bonds (distance) C4'-P energy: -49.169
bonds (distance) P-C4' energy: -53.483
flat angles C4'-P-C4' energy: -58.940
flat angles P-C4'-P energy: -45.194
tors. eta vs tors. theta energy: -76.501
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: 6
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -918.019126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.019126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.019126 (E_RNA)
where:
Base-Base interactions energy: -643.369
where: short stacking energy: -266.018
Base-Backbone interact. energy: -2.120
local terms energy: -272.530755
where:
bonds (distance) C4'-P energy: -48.743
bonds (distance) P-C4' energy: -46.620
flat angles C4'-P-C4' energy: -59.768
flat angles P-C4'-P energy: -39.832
tors. eta vs tors. theta energy: -77.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -865.048761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.048761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.048761 (E_RNA)
where:
Base-Base interactions energy: -609.808
where: short stacking energy: -243.303
Base-Backbone interact. energy: -0.452
local terms energy: -254.788924
where:
bonds (distance) C4'-P energy: -47.065
bonds (distance) P-C4' energy: -52.440
flat angles C4'-P-C4' energy: -58.102
flat angles P-C4'-P energy: -32.152
tors. eta vs tors. theta energy: -65.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -811.049793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.049793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.049793 (E_RNA)
where:
Base-Base interactions energy: -557.924
where: short stacking energy: -232.305
Base-Backbone interact. energy: -1.197
local terms energy: -251.929017
where:
bonds (distance) C4'-P energy: -50.138
bonds (distance) P-C4' energy: -47.831
flat angles C4'-P-C4' energy: -54.237
flat angles P-C4'-P energy: -30.179
tors. eta vs tors. theta energy: -69.544
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: 253
Temperature: 1.150000
Total energy: -777.158584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.158584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.158584 (E_RNA)
where:
Base-Base interactions energy: -530.355
where: short stacking energy: -217.820
Base-Backbone interact. energy: 0.617
local terms energy: -247.421128
where:
bonds (distance) C4'-P energy: -52.801
bonds (distance) P-C4' energy: -51.372
flat angles C4'-P-C4' energy: -52.665
flat angles P-C4'-P energy: -36.586
tors. eta vs tors. theta energy: -53.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -720.514973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.514973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.514973 (E_RNA)
where:
Base-Base interactions energy: -492.459
where: short stacking energy: -207.210
Base-Backbone interact. energy: -0.136
local terms energy: -227.919537
where:
bonds (distance) C4'-P energy: -46.810
bonds (distance) P-C4' energy: -48.677
flat angles C4'-P-C4' energy: -47.341
flat angles P-C4'-P energy: -27.205
tors. eta vs tors. theta energy: -57.886
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: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -662.548765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.548765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.548765 (E_RNA)
where:
Base-Base interactions energy: -457.943
where: short stacking energy: -200.691
Base-Backbone interact. energy: -0.103
local terms energy: -204.502595
where:
bonds (distance) C4'-P energy: -42.031
bonds (distance) P-C4' energy: -36.066
flat angles C4'-P-C4' energy: -42.266
flat angles P-C4'-P energy: -28.752
tors. eta vs tors. theta energy: -55.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -612.855031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.855031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.855031 (E_RNA)
where:
Base-Base interactions energy: -414.479
where: short stacking energy: -170.558
Base-Backbone interact. energy: -1.514
local terms energy: -196.862779
where:
bonds (distance) C4'-P energy: -45.025
bonds (distance) P-C4' energy: -41.557
flat angles C4'-P-C4' energy: -43.938
flat angles P-C4'-P energy: -33.406
tors. eta vs tors. theta energy: -32.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -471.432024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.432024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.432024 (E_RNA)
where:
Base-Base interactions energy: -285.839
where: short stacking energy: -114.967
Base-Backbone interact. energy: -1.495
local terms energy: -184.098250
where:
bonds (distance) C4'-P energy: -38.464
bonds (distance) P-C4' energy: -43.790
flat angles C4'-P-C4' energy: -47.997
flat angles P-C4'-P energy: -27.907
tors. eta vs tors. theta energy: -25.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -983.732757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.732757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.732757 (E_RNA)
where:
Base-Base interactions energy: -691.682
where: short stacking energy: -285.475
Base-Backbone interact. energy: -2.396
local terms energy: -289.654749
where:
bonds (distance) C4'-P energy: -59.270
bonds (distance) P-C4' energy: -55.432
flat angles C4'-P-C4' energy: -58.922
flat angles P-C4'-P energy: -35.720
tors. eta vs tors. theta energy: -80.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -923.940524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.940524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.940524 (E_RNA)
where:
Base-Base interactions energy: -634.903
where: short stacking energy: -253.771
Base-Backbone interact. energy: 0.289
local terms energy: -289.326627
where:
bonds (distance) C4'-P energy: -56.602
bonds (distance) P-C4' energy: -63.819
flat angles C4'-P-C4' energy: -60.637
flat angles P-C4'-P energy: -33.758
tors. eta vs tors. theta energy: -74.511
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: 3, replica: 6
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -912.946522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.946522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.946522 (E_RNA)
where:
Base-Base interactions energy: -625.659
where: short stacking energy: -251.634
Base-Backbone interact. energy: -2.678
local terms energy: -284.608980
where:
bonds (distance) C4'-P energy: -53.187
bonds (distance) P-C4' energy: -62.830
flat angles C4'-P-C4' energy: -55.537
flat angles P-C4'-P energy: -37.239
tors. eta vs tors. theta energy: -75.816
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: 4, replica: 1
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -872.348268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.348268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.348268 (E_RNA)
where:
Base-Base interactions energy: -624.895
where: short stacking energy: -247.034
Base-Backbone interact. energy: -1.424
local terms energy: -246.028740
where:
bonds (distance) C4'-P energy: -52.169
bonds (distance) P-C4' energy: -47.338
flat angles C4'-P-C4' energy: -56.264
flat angles P-C4'-P energy: -24.235
tors. eta vs tors. theta energy: -66.023
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: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -817.579298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.579298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.579298 (E_RNA)
where:
Base-Base interactions energy: -575.411
where: short stacking energy: -225.037
Base-Backbone interact. energy: 1.351
local terms energy: -243.518445
where:
bonds (distance) C4'-P energy: -45.394
bonds (distance) P-C4' energy: -52.819
flat angles C4'-P-C4' energy: -59.067
flat angles P-C4'-P energy: -32.047
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: 6, replica: 2
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -787.650701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.650701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.650701 (E_RNA)
where:
Base-Base interactions energy: -553.403
where: short stacking energy: -234.558
Base-Backbone interact. energy: 2.195
local terms energy: -236.442600
where:
bonds (distance) C4'-P energy: -47.166
bonds (distance) P-C4' energy: -42.030
flat angles C4'-P-C4' energy: -47.752
flat angles P-C4'-P energy: -36.314
tors. eta vs tors. theta energy: -63.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -688.841106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.841106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.841106 (E_RNA)
where:
Base-Base interactions energy: -460.761
where: short stacking energy: -200.611
Base-Backbone interact. energy: -0.053
local terms energy: -228.027370
where:
bonds (distance) C4'-P energy: -44.968
bonds (distance) P-C4' energy: -52.370
flat angles C4'-P-C4' energy: -46.178
flat angles P-C4'-P energy: -39.074
tors. eta vs tors. theta energy: -45.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -621.035648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.035648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.035648 (E_RNA)
where:
Base-Base interactions energy: -434.641
where: short stacking energy: -194.177
Base-Backbone interact. energy: -1.842
local terms energy: -184.552314
where:
bonds (distance) C4'-P energy: -36.373
bonds (distance) P-C4' energy: -50.128
flat angles C4'-P-C4' energy: -32.761
flat angles P-C4'-P energy: -21.271
tors. eta vs tors. theta energy: -44.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -588.969553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.969553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.969553 (E_RNA)
where:
Base-Base interactions energy: -395.565
where: short stacking energy: -158.583
Base-Backbone interact. energy: -2.311
local terms energy: -191.093193
where:
bonds (distance) C4'-P energy: -32.290
bonds (distance) P-C4' energy: -56.513
flat angles C4'-P-C4' energy: -44.204
flat angles P-C4'-P energy: -28.200
tors. eta vs tors. theta energy: -29.886
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: 3
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -496.601090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.601090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.601090 (E_RNA)
where:
Base-Base interactions energy: -322.476
where: short stacking energy: -141.943
Base-Backbone interact. energy: -0.528
local terms energy: -173.597047
where:
bonds (distance) C4'-P energy: -42.276
bonds (distance) P-C4' energy: -34.447
flat angles C4'-P-C4' energy: -36.148
flat angles P-C4'-P energy: -36.930
tors. eta vs tors. theta energy: -23.796
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: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -967.392955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.392955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.392955 (E_RNA)
where:
Base-Base interactions energy: -681.281
where: short stacking energy: -272.902
Base-Backbone interact. energy: -1.629
local terms energy: -284.483562
where:
bonds (distance) C4'-P energy: -48.071
bonds (distance) P-C4' energy: -55.744
flat angles C4'-P-C4' energy: -59.652
flat angles P-C4'-P energy: -37.395
tors. eta vs tors. theta energy: -83.623
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: 5
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -942.997149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.997149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.997149 (E_RNA)
where:
Base-Base interactions energy: -661.401
where: short stacking energy: -273.051
Base-Backbone interact. energy: -1.703
local terms energy: -279.893230
where:
bonds (distance) C4'-P energy: -47.990
bonds (distance) P-C4' energy: -53.808
flat angles C4'-P-C4' energy: -55.192
flat angles P-C4'-P energy: -44.099
tors. eta vs tors. theta energy: -78.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -902.418697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.418697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.418697 (E_RNA)
where:
Base-Base interactions energy: -637.583
where: short stacking energy: -257.308
Base-Backbone interact. energy: -2.879
local terms energy: -261.956457
where:
bonds (distance) C4'-P energy: -48.384
bonds (distance) P-C4' energy: -46.757
flat angles C4'-P-C4' energy: -54.421
flat angles P-C4'-P energy: -39.504
tors. eta vs tors. theta energy: -72.890
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: 255
Temperature: 1.050000
Total energy: -855.098938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.098938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.098938 (E_RNA)
where:
Base-Base interactions energy: -587.205
where: short stacking energy: -223.525
Base-Backbone interact. energy: -2.397
local terms energy: -265.496677
where:
bonds (distance) C4'-P energy: -52.884
bonds (distance) P-C4' energy: -55.613
flat angles C4'-P-C4' energy: -57.856
flat angles P-C4'-P energy: -33.667
tors. eta vs tors. theta energy: -65.476
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: 1
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -851.173360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.173360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.173360 (E_RNA)
where:
Base-Base interactions energy: -606.909
where: short stacking energy: -228.219
Base-Backbone interact. energy: -1.332
local terms energy: -242.933296
where:
bonds (distance) C4'-P energy: -46.459
bonds (distance) P-C4' energy: -47.813
flat angles C4'-P-C4' energy: -52.350
flat angles P-C4'-P energy: -35.105
tors. eta vs tors. theta energy: -61.207
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: 2
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -785.396353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.396353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.396353 (E_RNA)
where:
Base-Base interactions energy: -550.998
where: short stacking energy: -236.566
Base-Backbone interact. energy: -1.235
local terms energy: -233.163835
where:
bonds (distance) C4'-P energy: -31.582
bonds (distance) P-C4' energy: -36.330
flat angles C4'-P-C4' energy: -64.752
flat angles P-C4'-P energy: -36.169
tors. eta vs tors. theta energy: -64.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -696.535464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.535464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.535464 (E_RNA)
where:
Base-Base interactions energy: -469.326
where: short stacking energy: -200.759
Base-Backbone interact. energy: 0.223
local terms energy: -227.432296
where:
bonds (distance) C4'-P energy: -52.465
bonds (distance) P-C4' energy: -41.773
flat angles C4'-P-C4' energy: -43.126
flat angles P-C4'-P energy: -33.933
tors. eta vs tors. theta energy: -56.135
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: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -658.116050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.116050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.116050 (E_RNA)
where:
Base-Base interactions energy: -446.103
where: short stacking energy: -196.930
Base-Backbone interact. energy: -1.112
local terms energy: -210.900967
where:
bonds (distance) C4'-P energy: -46.319
bonds (distance) P-C4' energy: -41.795
flat angles C4'-P-C4' energy: -44.679
flat angles P-C4'-P energy: -27.844
tors. eta vs tors. theta energy: -50.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -597.551259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.551259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.551259 (E_RNA)
where:
Base-Base interactions energy: -401.752
where: short stacking energy: -159.761
Base-Backbone interact. energy: 4.384
local terms energy: -200.183421
where:
bonds (distance) C4'-P energy: -46.346
bonds (distance) P-C4' energy: -49.614
flat angles C4'-P-C4' energy: -47.336
flat angles P-C4'-P energy: -22.045
tors. eta vs tors. theta energy: -34.842
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: 3
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -449.593480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.593480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.593480 (E_RNA)
where:
Base-Base interactions energy: -268.732
where: short stacking energy: -115.587
Base-Backbone interact. energy: -1.354
local terms energy: -179.507821
where:
bonds (distance) C4'-P energy: -37.914
bonds (distance) P-C4' energy: -50.551
flat angles C4'-P-C4' energy: -42.551
flat angles P-C4'-P energy: -31.197
tors. eta vs tors. theta energy: -17.295
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: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -950.284267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.284267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.284267 (E_RNA)
where:
Base-Base interactions energy: -660.775
where: short stacking energy: -263.487
Base-Backbone interact. energy: -0.989
local terms energy: -288.520267
where:
bonds (distance) C4'-P energy: -53.688
bonds (distance) P-C4' energy: -51.653
flat angles C4'-P-C4' energy: -56.473
flat angles P-C4'-P energy: -46.330
tors. eta vs tors. theta energy: -80.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -946.402419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.402419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.402419 (E_RNA)
where:
Base-Base interactions energy: -651.476
where: short stacking energy: -257.044
Base-Backbone interact. energy: -0.781
local terms energy: -294.144525
where:
bonds (distance) C4'-P energy: -53.712
bonds (distance) P-C4' energy: -65.334
flat angles C4'-P-C4' energy: -59.397
flat angles P-C4'-P energy: -39.931
tors. eta vs tors. theta energy: -75.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -910.470556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.470556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.470556 (E_RNA)
where:
Base-Base interactions energy: -640.598
where: short stacking energy: -261.382
Base-Backbone interact. energy: -2.232
local terms energy: -267.640715
where:
bonds (distance) C4'-P energy: -53.446
bonds (distance) P-C4' energy: -49.962
flat angles C4'-P-C4' energy: -57.555
flat angles P-C4'-P energy: -33.881
tors. eta vs tors. theta energy: -72.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -876.182418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.182418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.182418 (E_RNA)
where:
Base-Base interactions energy: -623.630
where: short stacking energy: -261.830
Base-Backbone interact. energy: -0.798
local terms energy: -251.754371
where:
bonds (distance) C4'-P energy: -46.647
bonds (distance) P-C4' energy: -49.760
flat angles C4'-P-C4' energy: -52.167
flat angles P-C4'-P energy: -34.504
tors. eta vs tors. theta energy: -68.677
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: 1
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -862.539513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.539513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.539513 (E_RNA)
where:
Base-Base interactions energy: -607.358
where: short stacking energy: -240.793
Base-Backbone interact. energy: -1.406
local terms energy: -253.775180
where:
bonds (distance) C4'-P energy: -34.034
bonds (distance) P-C4' energy: -52.264
flat angles C4'-P-C4' energy: -58.528
flat angles P-C4'-P energy: -38.820
tors. eta vs tors. theta energy: -70.129
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: 2
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -815.606355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.606355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.606355 (E_RNA)
where:
Base-Base interactions energy: -561.264
where: short stacking energy: -227.570
Base-Backbone interact. energy: 3.255
local terms energy: -257.597586
where:
bonds (distance) C4'-P energy: -48.416
bonds (distance) P-C4' energy: -53.815
flat angles C4'-P-C4' energy: -58.664
flat angles P-C4'-P energy: -37.746
tors. eta vs tors. theta energy: -58.957
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: 256
Temperature: 1.200000
Total energy: -699.778835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.778835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.778835 (E_RNA)
where:
Base-Base interactions energy: -465.848
where: short stacking energy: -198.635
Base-Backbone interact. energy: -0.738
local terms energy: -233.192897
where:
bonds (distance) C4'-P energy: -45.424
bonds (distance) P-C4' energy: -43.301
flat angles C4'-P-C4' energy: -51.746
flat angles P-C4'-P energy: -40.423
tors. eta vs tors. theta energy: -52.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -592.307647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.307647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.307647 (E_RNA)
where:
Base-Base interactions energy: -377.451
where: short stacking energy: -174.279
Base-Backbone interact. energy: -0.950
local terms energy: -213.907186
where:
bonds (distance) C4'-P energy: -51.122
bonds (distance) P-C4' energy: -49.933
flat angles C4'-P-C4' energy: -48.214
flat angles P-C4'-P energy: -29.556
tors. eta vs tors. theta energy: -35.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -591.796832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.796832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.796832 (E_RNA)
where:
Base-Base interactions energy: -401.811
where: short stacking energy: -178.584
Base-Backbone interact. energy: -1.651
local terms energy: -188.335384
where:
bonds (distance) C4'-P energy: -33.967
bonds (distance) P-C4' energy: -51.567
flat angles C4'-P-C4' energy: -53.731
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -27.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -459.516769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.516769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.516769 (E_RNA)
where:
Base-Base interactions energy: -279.377
where: short stacking energy: -131.887
Base-Backbone interact. energy: -0.925
local terms energy: -179.214831
where:
bonds (distance) C4'-P energy: -36.941
bonds (distance) P-C4' energy: -57.074
flat angles C4'-P-C4' energy: -38.081
flat angles P-C4'-P energy: -25.331
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: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -944.318191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.318191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.318191 (E_RNA)
where:
Base-Base interactions energy: -648.171
where: short stacking energy: -285.613
Base-Backbone interact. energy: -3.146
local terms energy: -293.001586
where:
bonds (distance) C4'-P energy: -51.844
bonds (distance) P-C4' energy: -54.149
flat angles C4'-P-C4' energy: -62.941
flat angles P-C4'-P energy: -43.481
tors. eta vs tors. theta energy: -80.586
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: 2, replica: 6
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -937.058428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.058428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.058428 (E_RNA)
where:
Base-Base interactions energy: -665.013
where: short stacking energy: -251.292
Base-Backbone interact. energy: -1.920
local terms energy: -270.126317
where:
bonds (distance) C4'-P energy: -45.621
bonds (distance) P-C4' energy: -49.216
flat angles C4'-P-C4' energy: -61.545
flat angles P-C4'-P energy: -39.920
tors. eta vs tors. theta energy: -73.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -922.203657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.203657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.203657 (E_RNA)
where:
Base-Base interactions energy: -647.700
where: short stacking energy: -261.033
Base-Backbone interact. energy: 0.146
local terms energy: -274.649424
where:
bonds (distance) C4'-P energy: -50.878
bonds (distance) P-C4' energy: -52.539
flat angles C4'-P-C4' energy: -56.691
flat angles P-C4'-P energy: -40.022
tors. eta vs tors. theta energy: -74.519
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: 1
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -880.534509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.534509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.534509 (E_RNA)
where:
Base-Base interactions energy: -627.159
where: short stacking energy: -261.534
Base-Backbone interact. energy: -0.949
local terms energy: -252.426755
where:
bonds (distance) C4'-P energy: -48.904
bonds (distance) P-C4' energy: -48.405
flat angles C4'-P-C4' energy: -48.351
flat angles P-C4'-P energy: -30.833
tors. eta vs tors. theta energy: -75.934
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: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -838.177004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.177004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.177004 (E_RNA)
where:
Base-Base interactions energy: -585.835
where: short stacking energy: -262.647
Base-Backbone interact. energy: 1.589
local terms energy: -253.930792
where:
bonds (distance) C4'-P energy: -45.633
bonds (distance) P-C4' energy: -51.927
flat angles C4'-P-C4' energy: -50.161
flat angles P-C4'-P energy: -33.785
tors. eta vs tors. theta energy: -72.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -814.023110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.023110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.023110 (E_RNA)
where:
Base-Base interactions energy: -570.038
where: short stacking energy: -239.884
Base-Backbone interact. energy: -0.549
local terms energy: -243.435522
where:
bonds (distance) C4'-P energy: -39.509
bonds (distance) P-C4' energy: -43.328
flat angles C4'-P-C4' energy: -55.356
flat angles P-C4'-P energy: -34.082
tors. eta vs tors. theta energy: -71.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -694.008713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.008713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.008713 (E_RNA)
where:
Base-Base interactions energy: -470.768
where: short stacking energy: -201.137
Base-Backbone interact. energy: 0.337
local terms energy: -223.577169
where:
bonds (distance) C4'-P energy: -49.633
bonds (distance) P-C4' energy: -48.689
flat angles C4'-P-C4' energy: -43.517
flat angles P-C4'-P energy: -31.351
tors. eta vs tors. theta energy: -50.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -580.694870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.694870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.694870 (E_RNA)
where:
Base-Base interactions energy: -397.842
where: short stacking energy: -177.979
Base-Backbone interact. energy: -2.481
local terms energy: -180.371714
where:
bonds (distance) C4'-P energy: -31.740
bonds (distance) P-C4' energy: -42.759
flat angles C4'-P-C4' energy: -51.344
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -38.175
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: 8
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -584.648228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.648228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.648228 (E_RNA)
where:
Base-Base interactions energy: -379.987
where: short stacking energy: -157.009
Base-Backbone interact. energy: -1.753
local terms energy: -202.907820
where:
bonds (distance) C4'-P energy: -42.109
bonds (distance) P-C4' energy: -45.758
flat angles C4'-P-C4' energy: -47.872
flat angles P-C4'-P energy: -36.972
tors. eta vs tors. theta energy: -30.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -470.599949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.599949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.599949 (E_RNA)
where:
Base-Base interactions energy: -282.264
where: short stacking energy: -131.851
Base-Backbone interact. energy: -0.767
local terms energy: -187.569629
where:
bonds (distance) C4'-P energy: -45.370
bonds (distance) P-C4' energy: -45.400
flat angles C4'-P-C4' energy: -43.018
flat angles P-C4'-P energy: -29.697
tors. eta vs tors. theta energy: -24.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -970.014043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.014043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.014043 (E_RNA)
where:
Base-Base interactions energy: -675.193
where: short stacking energy: -281.809
Base-Backbone interact. energy: -1.160
local terms energy: -293.661042
where:
bonds (distance) C4'-P energy: -47.687
bonds (distance) P-C4' energy: -54.969
flat angles C4'-P-C4' energy: -61.767
flat angles P-C4'-P energy: -45.616
tors. eta vs tors. theta energy: -83.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -935.374125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.374125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.374125 (E_RNA)
where:
Base-Base interactions energy: -643.622
where: short stacking energy: -260.758
Base-Backbone interact. energy: -0.513
local terms energy: -291.239361
where:
bonds (distance) C4'-P energy: -55.056
bonds (distance) P-C4' energy: -54.915
flat angles C4'-P-C4' energy: -59.532
flat angles P-C4'-P energy: -47.327
tors. eta vs tors. theta energy: -74.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -913.534440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.534440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.534440 (E_RNA)
where:
Base-Base interactions energy: -634.061
where: short stacking energy: -274.218
Base-Backbone interact. energy: -2.512
local terms energy: -276.960624
where:
bonds (distance) C4'-P energy: -48.532
bonds (distance) P-C4' energy: -48.429
flat angles C4'-P-C4' energy: -58.507
flat angles P-C4'-P energy: -39.288
tors. eta vs tors. theta energy: -82.204
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: 4, replica: 1
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -887.783939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.783939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.783939 (E_RNA)
where:
Base-Base interactions energy: -619.424
where: short stacking energy: -244.236
Base-Backbone interact. energy: -0.408
local terms energy: -267.952014
where:
bonds (distance) C4'-P energy: -44.623
bonds (distance) P-C4' energy: -49.504
flat angles C4'-P-C4' energy: -62.221
flat angles P-C4'-P energy: -41.618
tors. eta vs tors. theta energy: -69.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -848.279554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.279554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.279554 (E_RNA)
where:
Base-Base interactions energy: -588.808
where: short stacking energy: -256.431
Base-Backbone interact. energy: -0.572
local terms energy: -258.899919
where:
bonds (distance) C4'-P energy: -46.390
bonds (distance) P-C4' energy: -42.169
flat angles C4'-P-C4' energy: -54.081
flat angles P-C4'-P energy: -36.701
tors. eta vs tors. theta energy: -79.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -776.069538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.069538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.069538 (E_RNA)
where:
Base-Base interactions energy: -543.523
where: short stacking energy: -230.206
Base-Backbone interact. energy: 0.603
local terms energy: -233.150126
where:
bonds (distance) C4'-P energy: -53.340
bonds (distance) P-C4' energy: -53.463
flat angles C4'-P-C4' energy: -40.009
flat angles P-C4'-P energy: -33.025
tors. eta vs tors. theta energy: -53.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -699.597935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.597935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.597935 (E_RNA)
where:
Base-Base interactions energy: -485.613
where: short stacking energy: -199.892
Base-Backbone interact. energy: -0.531
local terms energy: -213.453624
where:
bonds (distance) C4'-P energy: -40.584
bonds (distance) P-C4' energy: -44.497
flat angles C4'-P-C4' energy: -57.953
flat angles P-C4'-P energy: -29.462
tors. eta vs tors. theta energy: -40.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -624.211182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.211182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.211182 (E_RNA)
where:
Base-Base interactions energy: -416.011
where: short stacking energy: -182.032
Base-Backbone interact. energy: -0.217
local terms energy: -207.983902
where:
bonds (distance) C4'-P energy: -47.173
bonds (distance) P-C4' energy: -48.308
flat angles C4'-P-C4' energy: -36.576
flat angles P-C4'-P energy: -36.961
tors. eta vs tors. theta energy: -38.967
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: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -602.660015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.660015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.660015 (E_RNA)
where:
Base-Base interactions energy: -407.208
where: short stacking energy: -179.647
Base-Backbone interact. energy: -1.391
local terms energy: -194.060999
where:
bonds (distance) C4'-P energy: -45.681
bonds (distance) P-C4' energy: -41.703
flat angles C4'-P-C4' energy: -38.759
flat angles P-C4'-P energy: -26.024
tors. eta vs tors. theta energy: -41.894
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: 3
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -504.909902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.909902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.909902 (E_RNA)
where:
Base-Base interactions energy: -309.396
where: short stacking energy: -152.751
Base-Backbone interact. energy: -3.350
local terms energy: -192.164171
where:
bonds (distance) C4'-P energy: -39.683
bonds (distance) P-C4' energy: -46.772
flat angles C4'-P-C4' energy: -44.367
flat angles P-C4'-P energy: -30.759
tors. eta vs tors. theta energy: -30.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -973.381140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.381140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.381140 (E_RNA)
where:
Base-Base interactions energy: -687.980
where: short stacking energy: -279.429
Base-Backbone interact. energy: -1.214
local terms energy: -284.187388
where:
bonds (distance) C4'-P energy: -57.336
bonds (distance) P-C4' energy: -48.135
flat angles C4'-P-C4' energy: -60.196
flat angles P-C4'-P energy: -42.329
tors. eta vs tors. theta energy: -76.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -960.187140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.187140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.187140 (E_RNA)
where:
Base-Base interactions energy: -658.673
where: short stacking energy: -281.913
Base-Backbone interact. energy: 0.587
local terms energy: -302.101754
where:
bonds (distance) C4'-P energy: -55.646
bonds (distance) P-C4' energy: -60.818
flat angles C4'-P-C4' energy: -61.488
flat angles P-C4'-P energy: -44.132
tors. eta vs tors. theta energy: -80.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -905.857787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.857787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.857787 (E_RNA)
where:
Base-Base interactions energy: -629.230
where: short stacking energy: -272.393
Base-Backbone interact. energy: -1.274
local terms energy: -275.353650
where:
bonds (distance) C4'-P energy: -54.049
bonds (distance) P-C4' energy: -50.559
flat angles C4'-P-C4' energy: -53.192
flat angles P-C4'-P energy: -42.250
tors. eta vs tors. theta energy: -75.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -863.369232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.369232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.369232 (E_RNA)
where:
Base-Base interactions energy: -617.847
where: short stacking energy: -250.801
Base-Backbone interact. energy: -1.391
local terms energy: -244.131322
where:
bonds (distance) C4'-P energy: -38.791
bonds (distance) P-C4' energy: -48.885
flat angles C4'-P-C4' energy: -52.527
flat angles P-C4'-P energy: -35.122
tors. eta vs tors. theta energy: -68.806
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: 5, replica: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -837.508572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.508572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.508572 (E_RNA)
where:
Base-Base interactions energy: -571.720
where: short stacking energy: -238.723
Base-Backbone interact. energy: 0.071
local terms energy: -265.859865
where:
bonds (distance) C4'-P energy: -47.780
bonds (distance) P-C4' energy: -49.278
flat angles C4'-P-C4' energy: -64.269
flat angles P-C4'-P energy: -38.911
tors. eta vs tors. theta energy: -65.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -821.352302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.352302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.352302 (E_RNA)
where:
Base-Base interactions energy: -556.308
where: short stacking energy: -226.378
Base-Backbone interact. energy: -1.666
local terms energy: -263.377402
where:
bonds (distance) C4'-P energy: -48.990
bonds (distance) P-C4' energy: -50.553
flat angles C4'-P-C4' energy: -59.830
flat angles P-C4'-P energy: -42.218
tors. eta vs tors. theta energy: -61.787
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: 259
Temperature: 1.200000
Total energy: -716.297413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.297413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.297413 (E_RNA)
where:
Base-Base interactions energy: -486.090
where: short stacking energy: -221.444
Base-Backbone interact. energy: 4.122
local terms energy: -234.328915
where:
bonds (distance) C4'-P energy: -42.791
bonds (distance) P-C4' energy: -42.771
flat angles C4'-P-C4' energy: -50.497
flat angles P-C4'-P energy: -35.633
tors. eta vs tors. theta energy: -62.636
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: 9
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -602.716111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.716111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.716111 (E_RNA)
where:
Base-Base interactions energy: -392.072
where: short stacking energy: -160.544
Base-Backbone interact. energy: 0.542
local terms energy: -211.186492
where:
bonds (distance) C4'-P energy: -52.286
bonds (distance) P-C4' energy: -46.049
flat angles C4'-P-C4' energy: -43.823
flat angles P-C4'-P energy: -33.672
tors. eta vs tors. theta energy: -35.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -566.068158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.068158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.068158 (E_RNA)
where:
Base-Base interactions energy: -382.701
where: short stacking energy: -153.285
Base-Backbone interact. energy: -0.990
local terms energy: -182.377117
where:
bonds (distance) C4'-P energy: -34.488
bonds (distance) P-C4' energy: -37.109
flat angles C4'-P-C4' energy: -51.890
flat angles P-C4'-P energy: -32.137
tors. eta vs tors. theta energy: -26.752
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: 3
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -490.434727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.434727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.434727 (E_RNA)
where:
Base-Base interactions energy: -293.382
where: short stacking energy: -132.895
Base-Backbone interact. energy: 0.446
local terms energy: -197.498755
where:
bonds (distance) C4'-P energy: -50.375
bonds (distance) P-C4' energy: -46.558
flat angles C4'-P-C4' energy: -47.454
flat angles P-C4'-P energy: -26.552
tors. eta vs tors. theta energy: -26.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -968.691782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.691782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.691782 (E_RNA)
where:
Base-Base interactions energy: -668.819
where: short stacking energy: -281.787
Base-Backbone interact. energy: -1.149
local terms energy: -298.723311
where:
bonds (distance) C4'-P energy: -61.251
bonds (distance) P-C4' energy: -57.906
flat angles C4'-P-C4' energy: -58.427
flat angles P-C4'-P energy: -38.948
tors. eta vs tors. theta energy: -82.192
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: 10
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -934.141533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.141533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.141533 (E_RNA)
where:
Base-Base interactions energy: -643.143
where: short stacking energy: -270.960
Base-Backbone interact. energy: -2.374
local terms energy: -288.624363
where:
bonds (distance) C4'-P energy: -53.803
bonds (distance) P-C4' energy: -52.729
flat angles C4'-P-C4' energy: -58.231
flat angles P-C4'-P energy: -42.243
tors. eta vs tors. theta energy: -81.618
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: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -901.736387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.736387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.736387 (E_RNA)
where:
Base-Base interactions energy: -645.619
where: short stacking energy: -248.497
Base-Backbone interact. energy: -1.856
local terms energy: -254.262087
where:
bonds (distance) C4'-P energy: -52.747
bonds (distance) P-C4' energy: -40.249
flat angles C4'-P-C4' energy: -48.497
flat angles P-C4'-P energy: -34.207
tors. eta vs tors. theta energy: -78.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -889.629639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.629639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.629639 (E_RNA)
where:
Base-Base interactions energy: -627.616
where: short stacking energy: -262.123
Base-Backbone interact. energy: -1.003
local terms energy: -261.010911
where:
bonds (distance) C4'-P energy: -37.664
bonds (distance) P-C4' energy: -53.975
flat angles C4'-P-C4' energy: -66.166
flat angles P-C4'-P energy: -36.357
tors. eta vs tors. theta energy: -66.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -850.771379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.771379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.771379 (E_RNA)
where:
Base-Base interactions energy: -597.838
where: short stacking energy: -244.914
Base-Backbone interact. energy: -1.336
local terms energy: -251.596764
where:
bonds (distance) C4'-P energy: -40.832
bonds (distance) P-C4' energy: -40.564
flat angles C4'-P-C4' energy: -57.733
flat angles P-C4'-P energy: -38.821
tors. eta vs tors. theta energy: -73.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -813.734524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.734524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.734524 (E_RNA)
where:
Base-Base interactions energy: -559.236
where: short stacking energy: -239.830
Base-Backbone interact. energy: -1.368
local terms energy: -253.130301
where:
bonds (distance) C4'-P energy: -47.587
bonds (distance) P-C4' energy: -55.744
flat angles C4'-P-C4' energy: -56.948
flat angles P-C4'-P energy: -31.869
tors. eta vs tors. theta energy: -60.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -653.410594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.410594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.410594 (E_RNA)
where:
Base-Base interactions energy: -432.767
where: short stacking energy: -172.635
Base-Backbone interact. energy: -1.293
local terms energy: -219.351049
where:
bonds (distance) C4'-P energy: -38.180
bonds (distance) P-C4' energy: -55.862
flat angles C4'-P-C4' energy: -51.473
flat angles P-C4'-P energy: -36.557
tors. eta vs tors. theta energy: -37.279
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: 260
Temperature: 1.250000
Total energy: -685.384206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.384206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.384206 (E_RNA)
where:
Base-Base interactions energy: -465.199
where: short stacking energy: -181.524
Base-Backbone interact. energy: -1.503
local terms energy: -218.682129
where:
bonds (distance) C4'-P energy: -47.115
bonds (distance) P-C4' energy: -48.833
flat angles C4'-P-C4' energy: -52.875
flat angles P-C4'-P energy: -23.993
tors. eta vs tors. theta energy: -45.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -519.850417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.850417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.850417 (E_RNA)
where:
Base-Base interactions energy: -320.822
where: short stacking energy: -141.236
Base-Backbone interact. energy: -0.781
local terms energy: -198.247819
where:
bonds (distance) C4'-P energy: -39.076
bonds (distance) P-C4' energy: -43.683
flat angles C4'-P-C4' energy: -45.520
flat angles P-C4'-P energy: -34.367
tors. eta vs tors. theta energy: -35.601
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: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -550.207894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.207894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.207894 (E_RNA)
where:
Base-Base interactions energy: -373.148
where: short stacking energy: -156.614
Base-Backbone interact. energy: -0.332
local terms energy: -176.728157
where:
bonds (distance) C4'-P energy: -36.363
bonds (distance) P-C4' energy: -37.913
flat angles C4'-P-C4' energy: -42.579
flat angles P-C4'-P energy: -26.711
tors. eta vs tors. theta energy: -33.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -961.419079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.419079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.419079 (E_RNA)
where:
Base-Base interactions energy: -668.604
where: short stacking energy: -261.421
Base-Backbone interact. energy: -2.879
local terms energy: -289.936305
where:
bonds (distance) C4'-P energy: -54.760
bonds (distance) P-C4' energy: -53.042
flat angles C4'-P-C4' energy: -62.817
flat angles P-C4'-P energy: -38.833
tors. eta vs tors. theta energy: -80.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -933.696582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.696582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.696582 (E_RNA)
where:
Base-Base interactions energy: -650.528
where: short stacking energy: -267.935
Base-Backbone interact. energy: -1.380
local terms energy: -281.788014
where:
bonds (distance) C4'-P energy: -53.460
bonds (distance) P-C4' energy: -58.416
flat angles C4'-P-C4' energy: -58.827
flat angles P-C4'-P energy: -40.477
tors. eta vs tors. theta energy: -70.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -910.494318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.494318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.494318 (E_RNA)
where:
Base-Base interactions energy: -637.960
where: short stacking energy: -252.760
Base-Backbone interact. energy: -1.822
local terms energy: -270.712391
where:
bonds (distance) C4'-P energy: -50.802
bonds (distance) P-C4' energy: -56.501
flat angles C4'-P-C4' energy: -50.760
flat angles P-C4'-P energy: -36.568
tors. eta vs tors. theta energy: -76.081
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: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -891.328023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.328023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.328023 (E_RNA)
where:
Base-Base interactions energy: -601.903
where: short stacking energy: -243.440
Base-Backbone interact. energy: -1.402
local terms energy: -288.022649
where:
bonds (distance) C4'-P energy: -55.529
bonds (distance) P-C4' energy: -55.552
flat angles C4'-P-C4' energy: -61.594
flat angles P-C4'-P energy: -43.648
tors. eta vs tors. theta energy: -71.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -877.995796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.995796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.995796 (E_RNA)
where:
Base-Base interactions energy: -620.170
where: short stacking energy: -245.961
Base-Backbone interact. energy: -1.963
local terms energy: -255.863190
where:
bonds (distance) C4'-P energy: -52.714
bonds (distance) P-C4' energy: -39.215
flat angles C4'-P-C4' energy: -55.271
flat angles P-C4'-P energy: -40.049
tors. eta vs tors. theta energy: -68.613
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: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -810.101307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.101307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.101307 (E_RNA)
where:
Base-Base interactions energy: -555.850
where: short stacking energy: -237.724
Base-Backbone interact. energy: -1.990
local terms energy: -252.260946
where:
bonds (distance) C4'-P energy: -45.234
bonds (distance) P-C4' energy: -48.325
flat angles C4'-P-C4' energy: -54.199
flat angles P-C4'-P energy: -38.617
tors. eta vs tors. theta energy: -65.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -681.868569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.868569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.868569 (E_RNA)
where:
Base-Base interactions energy: -455.495
where: short stacking energy: -206.710
Base-Backbone interact. energy: 0.650
local terms energy: -227.023502
where:
bonds (distance) C4'-P energy: -41.176
bonds (distance) P-C4' energy: -45.318
flat angles C4'-P-C4' energy: -50.170
flat angles P-C4'-P energy: -33.257
tors. eta vs tors. theta energy: -57.103
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: 261
Temperature: 1.250000
Total energy: -665.687266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.687266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.687266 (E_RNA)
where:
Base-Base interactions energy: -450.931
where: short stacking energy: -198.409
Base-Backbone interact. energy: 0.446
local terms energy: -215.203111
where:
bonds (distance) C4'-P energy: -51.736
bonds (distance) P-C4' energy: -45.502
flat angles C4'-P-C4' energy: -54.577
flat angles P-C4'-P energy: -17.944
tors. eta vs tors. theta energy: -45.444
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: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -530.017906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.017906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.017906 (E_RNA)
where:
Base-Base interactions energy: -345.767
where: short stacking energy: -147.127
Base-Backbone interact. energy: 5.437
local terms energy: -189.687756
where:
bonds (distance) C4'-P energy: -41.009
bonds (distance) P-C4' energy: -39.534
flat angles C4'-P-C4' energy: -42.983
flat angles P-C4'-P energy: -33.208
tors. eta vs tors. theta energy: -32.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -568.805934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.805934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.805934 (E_RNA)
where:
Base-Base interactions energy: -362.201
where: short stacking energy: -158.958
Base-Backbone interact. energy: 1.620
local terms energy: -208.224586
where:
bonds (distance) C4'-P energy: -56.251
bonds (distance) P-C4' energy: -52.203
flat angles C4'-P-C4' energy: -32.225
flat angles P-C4'-P energy: -34.894
tors. eta vs tors. theta energy: -32.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -944.578965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.578965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.578965 (E_RNA)
where:
Base-Base interactions energy: -663.841
where: short stacking energy: -269.108
Base-Backbone interact. energy: 2.264
local terms energy: -283.002179
where:
bonds (distance) C4'-P energy: -51.438
bonds (distance) P-C4' energy: -55.873
flat angles C4'-P-C4' energy: -57.163
flat angles P-C4'-P energy: -42.093
tors. eta vs tors. theta energy: -76.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -961.341208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.341208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.341208 (E_RNA)
where:
Base-Base interactions energy: -685.754
where: short stacking energy: -260.417
Base-Backbone interact. energy: -2.058
local terms energy: -273.528523
where:
bonds (distance) C4'-P energy: -52.690
bonds (distance) P-C4' energy: -45.173
flat angles C4'-P-C4' energy: -56.649
flat angles P-C4'-P energy: -41.964
tors. eta vs tors. theta energy: -77.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -905.974456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.974456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.974456 (E_RNA)
where:
Base-Base interactions energy: -634.180
where: short stacking energy: -254.097
Base-Backbone interact. energy: -1.059
local terms energy: -270.735300
where:
bonds (distance) C4'-P energy: -49.724
bonds (distance) P-C4' energy: -55.802
flat angles C4'-P-C4' energy: -60.144
flat angles P-C4'-P energy: -36.306
tors. eta vs tors. theta energy: -68.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -882.166230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.166230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.166230 (E_RNA)
where:
Base-Base interactions energy: -626.820
where: short stacking energy: -250.800
Base-Backbone interact. energy: -0.143
local terms energy: -255.203101
where:
bonds (distance) C4'-P energy: -47.981
bonds (distance) P-C4' energy: -50.847
flat angles C4'-P-C4' energy: -52.954
flat angles P-C4'-P energy: -36.738
tors. eta vs tors. theta energy: -66.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -844.063194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.063194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.063194 (E_RNA)
where:
Base-Base interactions energy: -577.447
where: short stacking energy: -240.563
Base-Backbone interact. energy: -0.161
local terms energy: -266.455336
where:
bonds (distance) C4'-P energy: -46.374
bonds (distance) P-C4' energy: -56.460
flat angles C4'-P-C4' energy: -52.681
flat angles P-C4'-P energy: -38.193
tors. eta vs tors. theta energy: -72.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -827.002060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.002060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.002060 (E_RNA)
where:
Base-Base interactions energy: -581.500
where: short stacking energy: -239.406
Base-Backbone interact. energy: 2.174
local terms energy: -247.676054
where:
bonds (distance) C4'-P energy: -50.718
bonds (distance) P-C4' energy: -52.234
flat angles C4'-P-C4' energy: -48.106
flat angles P-C4'-P energy: -33.068
tors. eta vs tors. theta energy: -63.551
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: 9
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -677.051436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.051436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.051436 (E_RNA)
where:
Base-Base interactions energy: -451.674
where: short stacking energy: -201.550
Base-Backbone interact. energy: -0.432
local terms energy: -224.945281
where:
bonds (distance) C4'-P energy: -41.732
bonds (distance) P-C4' energy: -45.213
flat angles C4'-P-C4' energy: -48.135
flat angles P-C4'-P energy: -41.262
tors. eta vs tors. theta energy: -48.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -639.346317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.346317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.346317 (E_RNA)
where:
Base-Base interactions energy: -418.380
where: short stacking energy: -185.090
Base-Backbone interact. energy: -0.608
local terms energy: -220.358999
where:
bonds (distance) C4'-P energy: -48.267
bonds (distance) P-C4' energy: -49.796
flat angles C4'-P-C4' energy: -48.746
flat angles P-C4'-P energy: -33.936
tors. eta vs tors. theta energy: -39.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -614.392823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.392823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.392823 (E_RNA)
where:
Base-Base interactions energy: -412.703
where: short stacking energy: -185.276
Base-Backbone interact. energy: 0.950
local terms energy: -202.640002
where:
bonds (distance) C4'-P energy: -36.496
bonds (distance) P-C4' energy: -50.161
flat angles C4'-P-C4' energy: -50.509
flat angles P-C4'-P energy: -34.397
tors. eta vs tors. theta energy: -31.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -506.449726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.449726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.449726 (E_RNA)
where:
Base-Base interactions energy: -326.500
where: short stacking energy: -155.405
Base-Backbone interact. energy: 3.186
local terms energy: -183.135700
where:
bonds (distance) C4'-P energy: -47.226
bonds (distance) P-C4' energy: -44.219
flat angles C4'-P-C4' energy: -39.124
flat angles P-C4'-P energy: -28.490
tors. eta vs tors. theta energy: -24.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -961.765336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.765336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.765336 (E_RNA)
where:
Base-Base interactions energy: -691.542
where: short stacking energy: -287.118
Base-Backbone interact. energy: 0.714
local terms energy: -270.937412
where:
bonds (distance) C4'-P energy: -48.343
bonds (distance) P-C4' energy: -44.024
flat angles C4'-P-C4' energy: -58.759
flat angles P-C4'-P energy: -40.911
tors. eta vs tors. theta energy: -78.900
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: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -916.235380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.235380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.235380 (E_RNA)
where:
Base-Base interactions energy: -646.934
where: short stacking energy: -269.735
Base-Backbone interact. energy: -1.276
local terms energy: -268.024864
where:
bonds (distance) C4'-P energy: -51.625
bonds (distance) P-C4' energy: -52.256
flat angles C4'-P-C4' energy: -51.466
flat angles P-C4'-P energy: -39.662
tors. eta vs tors. theta energy: -73.016
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: 6
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -904.030412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.030412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.030412 (E_RNA)
where:
Base-Base interactions energy: -622.781
where: short stacking energy: -257.279
Base-Backbone interact. energy: -1.366
local terms energy: -279.883286
where:
bonds (distance) C4'-P energy: -52.270
bonds (distance) P-C4' energy: -50.053
flat angles C4'-P-C4' energy: -55.521
flat angles P-C4'-P energy: -44.081
tors. eta vs tors. theta energy: -77.958
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: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -902.724513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.724513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.724513 (E_RNA)
where:
Base-Base interactions energy: -634.468
where: short stacking energy: -259.111
Base-Backbone interact. energy: -0.896
local terms energy: -267.360355
where:
bonds (distance) C4'-P energy: -46.904
bonds (distance) P-C4' energy: -56.918
flat angles C4'-P-C4' energy: -55.827
flat angles P-C4'-P energy: -33.337
tors. eta vs tors. theta energy: -74.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -857.684536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.684536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.684536 (E_RNA)
where:
Base-Base interactions energy: -604.184
where: short stacking energy: -236.010
Base-Backbone interact. energy: -2.827
local terms energy: -250.673755
where:
bonds (distance) C4'-P energy: -38.629
bonds (distance) P-C4' energy: -51.227
flat angles C4'-P-C4' energy: -55.955
flat angles P-C4'-P energy: -36.451
tors. eta vs tors. theta energy: -68.411
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: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -820.821459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.821459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.821459 (E_RNA)
where:
Base-Base interactions energy: -568.936
where: short stacking energy: -238.226
Base-Backbone interact. energy: -0.953
local terms energy: -250.932900
where:
bonds (distance) C4'-P energy: -43.891
bonds (distance) P-C4' energy: -54.254
flat angles C4'-P-C4' energy: -47.304
flat angles P-C4'-P energy: -37.307
tors. eta vs tors. theta energy: -68.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -664.269239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.269239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.269239 (E_RNA)
where:
Base-Base interactions energy: -435.687
where: short stacking energy: -193.119
Base-Backbone interact. energy: -0.009
local terms energy: -228.573775
where:
bonds (distance) C4'-P energy: -59.697
bonds (distance) P-C4' energy: -50.147
flat angles C4'-P-C4' energy: -42.580
flat angles P-C4'-P energy: -35.719
tors. eta vs tors. theta energy: -40.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -654.091370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.091370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.091370 (E_RNA)
where:
Base-Base interactions energy: -447.865
where: short stacking energy: -184.105
Base-Backbone interact. energy: -0.638
local terms energy: -205.588190
where:
bonds (distance) C4'-P energy: -48.159
bonds (distance) P-C4' energy: -45.969
flat angles C4'-P-C4' energy: -42.155
flat angles P-C4'-P energy: -32.084
tors. eta vs tors. theta energy: -37.221
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: 9, replica: 8
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -590.793393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.793393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.793393 (E_RNA)
where:
Base-Base interactions energy: -397.345
where: short stacking energy: -171.355
Base-Backbone interact. energy: -0.122
local terms energy: -193.327131
where:
bonds (distance) C4'-P energy: -39.799
bonds (distance) P-C4' energy: -53.547
flat angles C4'-P-C4' energy: -43.572
flat angles P-C4'-P energy: -25.536
tors. eta vs tors. theta energy: -30.874
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: 10, replica: 3
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -502.434255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.434255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.434255 (E_RNA)
where:
Base-Base interactions energy: -311.188
where: short stacking energy: -133.552
Base-Backbone interact. energy: -1.893
local terms energy: -189.352559
where:
bonds (distance) C4'-P energy: -47.053
bonds (distance) P-C4' energy: -43.773
flat angles C4'-P-C4' energy: -47.279
flat angles P-C4'-P energy: -25.167
tors. eta vs tors. theta energy: -26.080
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: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -948.583577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.583577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.583577 (E_RNA)
where:
Base-Base interactions energy: -660.073
where: short stacking energy: -265.510
Base-Backbone interact. energy: -0.631
local terms energy: -287.879652
where:
bonds (distance) C4'-P energy: -58.473
bonds (distance) P-C4' energy: -51.373
flat angles C4'-P-C4' energy: -66.869
flat angles P-C4'-P energy: -38.676
tors. eta vs tors. theta energy: -72.488
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: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -933.171933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.171933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.171933 (E_RNA)
where:
Base-Base interactions energy: -662.343
where: short stacking energy: -269.091
Base-Backbone interact. energy: -1.138
local terms energy: -269.690621
where:
bonds (distance) C4'-P energy: -44.803
bonds (distance) P-C4' energy: -49.402
flat angles C4'-P-C4' energy: -53.902
flat angles P-C4'-P energy: -42.952
tors. eta vs tors. theta energy: -78.632
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: 3, replica: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -917.399283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.399283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.399283 (E_RNA)
where:
Base-Base interactions energy: -637.056
where: short stacking energy: -278.787
Base-Backbone interact. energy: 2.751
local terms energy: -283.094020
where:
bonds (distance) C4'-P energy: -47.681
bonds (distance) P-C4' energy: -49.422
flat angles C4'-P-C4' energy: -59.085
flat angles P-C4'-P energy: -43.744
tors. eta vs tors. theta energy: -83.162
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: 6
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -915.119694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.119694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.119694 (E_RNA)
where:
Base-Base interactions energy: -642.128
where: short stacking energy: -263.350
Base-Backbone interact. energy: -1.019
local terms energy: -271.972180
where:
bonds (distance) C4'-P energy: -49.268
bonds (distance) P-C4' energy: -49.563
flat angles C4'-P-C4' energy: -62.748
flat angles P-C4'-P energy: -32.789
tors. eta vs tors. theta energy: -77.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -860.609215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.609215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.609215 (E_RNA)
where:
Base-Base interactions energy: -609.774
where: short stacking energy: -258.701
Base-Backbone interact. energy: -1.144
local terms energy: -249.691484
where:
bonds (distance) C4'-P energy: -46.291
bonds (distance) P-C4' energy: -37.740
flat angles C4'-P-C4' energy: -53.279
flat angles P-C4'-P energy: -39.571
tors. eta vs tors. theta energy: -72.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -827.964761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.964761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.964761 (E_RNA)
where:
Base-Base interactions energy: -557.201
where: short stacking energy: -240.407
Base-Backbone interact. energy: -0.721
local terms energy: -270.042631
where:
bonds (distance) C4'-P energy: -44.803
bonds (distance) P-C4' energy: -51.449
flat angles C4'-P-C4' energy: -60.278
flat angles P-C4'-P energy: -41.946
tors. eta vs tors. theta energy: -71.566
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: 7
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -674.502156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.502156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.502156 (E_RNA)
where:
Base-Base interactions energy: -465.268
where: short stacking energy: -194.827
Base-Backbone interact. energy: -0.856
local terms energy: -208.378204
where:
bonds (distance) C4'-P energy: -33.915
bonds (distance) P-C4' energy: -51.092
flat angles C4'-P-C4' energy: -49.299
flat angles P-C4'-P energy: -33.972
tors. eta vs tors. theta energy: -40.100
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: 8, replica: 9
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -665.445289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.445289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.445289 (E_RNA)
where:
Base-Base interactions energy: -445.945
where: short stacking energy: -191.739
Base-Backbone interact. energy: -0.453
local terms energy: -219.047630
where:
bonds (distance) C4'-P energy: -50.843
bonds (distance) P-C4' energy: -44.071
flat angles C4'-P-C4' energy: -43.665
flat angles P-C4'-P energy: -39.506
tors. eta vs tors. theta energy: -40.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -595.662464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.662464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.662464 (E_RNA)
where:
Base-Base interactions energy: -401.595
where: short stacking energy: -168.530
Base-Backbone interact. energy: -0.652
local terms energy: -193.415241
where:
bonds (distance) C4'-P energy: -45.197
bonds (distance) P-C4' energy: -42.001
flat angles C4'-P-C4' energy: -39.341
flat angles P-C4'-P energy: -33.344
tors. eta vs tors. theta energy: -33.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -524.618787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.618787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.618787 (E_RNA)
where:
Base-Base interactions energy: -340.368
where: short stacking energy: -152.786
Base-Backbone interact. energy: 0.180
local terms energy: -184.430598
where:
bonds (distance) C4'-P energy: -45.288
bonds (distance) P-C4' energy: -35.571
flat angles C4'-P-C4' energy: -48.518
flat angles P-C4'-P energy: -28.084
tors. eta vs tors. theta energy: -26.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -955.999871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.999871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.999871 (E_RNA)
where:
Base-Base interactions energy: -659.613
where: short stacking energy: -275.189
Base-Backbone interact. energy: -1.144
local terms energy: -295.242204
where:
bonds (distance) C4'-P energy: -59.380
bonds (distance) P-C4' energy: -56.785
flat angles C4'-P-C4' energy: -61.358
flat angles P-C4'-P energy: -47.373
tors. eta vs tors. theta energy: -70.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -940.931309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.931309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.931309 (E_RNA)
where:
Base-Base interactions energy: -670.228
where: short stacking energy: -268.899
Base-Backbone interact. energy: -1.821
local terms energy: -268.882402
where:
bonds (distance) C4'-P energy: -53.060
bonds (distance) P-C4' energy: -36.795
flat angles C4'-P-C4' energy: -56.875
flat angles P-C4'-P energy: -43.060
tors. eta vs tors. theta energy: -79.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -897.087646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.087646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.087646 (E_RNA)
where:
Base-Base interactions energy: -622.110
where: short stacking energy: -256.195
Base-Backbone interact. energy: -1.358
local terms energy: -273.619469
where:
bonds (distance) C4'-P energy: -54.270
bonds (distance) P-C4' energy: -51.621
flat angles C4'-P-C4' energy: -59.631
flat angles P-C4'-P energy: -36.760
tors. eta vs tors. theta energy: -71.337
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: 4, replica: 5
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -849.188066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.188066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.188066 (E_RNA)
where:
Base-Base interactions energy: -600.046
where: short stacking energy: -246.821
Base-Backbone interact. energy: 0.086
local terms energy: -249.228152
where:
bonds (distance) C4'-P energy: -43.552
bonds (distance) P-C4' energy: -55.946
flat angles C4'-P-C4' energy: -55.041
flat angles P-C4'-P energy: -30.588
tors. eta vs tors. theta energy: -64.101
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: 5, replica: 6
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -852.346539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.346539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.346539 (E_RNA)
where:
Base-Base interactions energy: -612.126
where: short stacking energy: -245.198
Base-Backbone interact. energy: -2.290
local terms energy: -237.930996
where:
bonds (distance) C4'-P energy: -33.027
bonds (distance) P-C4' energy: -44.545
flat angles C4'-P-C4' energy: -55.715
flat angles P-C4'-P energy: -39.771
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: 6, replica: 7
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -736.600027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.600027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.600027 (E_RNA)
where:
Base-Base interactions energy: -484.743
where: short stacking energy: -219.829
Base-Backbone interact. energy: -2.403
local terms energy: -249.454313
where:
bonds (distance) C4'-P energy: -40.096
bonds (distance) P-C4' energy: -49.465
flat angles C4'-P-C4' energy: -54.793
flat angles P-C4'-P energy: -41.093
tors. eta vs tors. theta energy: -64.007
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: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -776.512510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.512510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.512510 (E_RNA)
where:
Base-Base interactions energy: -549.167
where: short stacking energy: -232.660
Base-Backbone interact. energy: -1.033
local terms energy: -226.311693
where:
bonds (distance) C4'-P energy: -39.676
bonds (distance) P-C4' energy: -49.828
flat angles C4'-P-C4' energy: -51.492
flat angles P-C4'-P energy: -27.261
tors. eta vs tors. theta energy: -58.054
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: 9
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -665.271357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.271357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.271357 (E_RNA)
where:
Base-Base interactions energy: -447.127
where: short stacking energy: -212.425
Base-Backbone interact. energy: -1.458
local terms energy: -216.686996
where:
bonds (distance) C4'-P energy: -39.500
bonds (distance) P-C4' energy: -44.631
flat angles C4'-P-C4' energy: -44.974
flat angles P-C4'-P energy: -34.644
tors. eta vs tors. theta energy: -52.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -577.846971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.846971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.846971 (E_RNA)
where:
Base-Base interactions energy: -382.780
where: short stacking energy: -158.055
Base-Backbone interact. energy: -0.124
local terms energy: -194.942973
where:
bonds (distance) C4'-P energy: -39.914
bonds (distance) P-C4' energy: -50.469
flat angles C4'-P-C4' energy: -39.115
flat angles P-C4'-P energy: -37.449
tors. eta vs tors. theta energy: -27.995
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: 3
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -508.252689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.252689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.252689 (E_RNA)
where:
Base-Base interactions energy: -327.599
where: short stacking energy: -153.267
Base-Backbone interact. energy: -1.100
local terms energy: -179.553670
where:
bonds (distance) C4'-P energy: -43.396
bonds (distance) P-C4' energy: -56.729
flat angles C4'-P-C4' energy: -29.865
flat angles P-C4'-P energy: -22.303
tors. eta vs tors. theta energy: -27.261
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: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -948.786874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.786874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.786874 (E_RNA)
where:
Base-Base interactions energy: -661.544
where: short stacking energy: -281.357
Base-Backbone interact. energy: -0.486
local terms energy: -286.756258
where:
bonds (distance) C4'-P energy: -55.058
bonds (distance) P-C4' energy: -52.836
flat angles C4'-P-C4' energy: -59.298
flat angles P-C4'-P energy: -40.448
tors. eta vs tors. theta energy: -79.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -939.670067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.670067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.670067 (E_RNA)
where:
Base-Base interactions energy: -657.637
where: short stacking energy: -259.800
Base-Backbone interact. energy: -2.621
local terms energy: -279.411874
where:
bonds (distance) C4'-P energy: -48.058
bonds (distance) P-C4' energy: -57.934
flat angles C4'-P-C4' energy: -52.627
flat angles P-C4'-P energy: -45.119
tors. eta vs tors. theta energy: -75.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -903.127792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.127792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.127792 (E_RNA)
where:
Base-Base interactions energy: -636.877
where: short stacking energy: -247.509
Base-Backbone interact. energy: -1.638
local terms energy: -264.613465
where:
bonds (distance) C4'-P energy: -51.360
bonds (distance) P-C4' energy: -47.846
flat angles C4'-P-C4' energy: -57.325
flat angles P-C4'-P energy: -34.783
tors. eta vs tors. theta energy: -73.301
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: 266
Temperature: 1.050000
Total energy: -855.747845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.747845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.747845 (E_RNA)
where:
Base-Base interactions energy: -590.905
where: short stacking energy: -237.132
Base-Backbone interact. energy: -1.307
local terms energy: -263.535834
where:
bonds (distance) C4'-P energy: -48.813
bonds (distance) P-C4' energy: -52.128
flat angles C4'-P-C4' energy: -59.540
flat angles P-C4'-P energy: -38.525
tors. eta vs tors. theta energy: -64.530
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: 266
Temperature: 1.100000
Total energy: -881.845371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.845371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.845371 (E_RNA)
where:
Base-Base interactions energy: -626.920
where: short stacking energy: -251.921
Base-Backbone interact. energy: -1.689
local terms energy: -253.236653
where:
bonds (distance) C4'-P energy: -43.086
bonds (distance) P-C4' energy: -42.698
flat angles C4'-P-C4' energy: -58.091
flat angles P-C4'-P energy: -35.637
tors. eta vs tors. theta energy: -73.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -760.556829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.556829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.556829 (E_RNA)
where:
Base-Base interactions energy: -521.290
where: short stacking energy: -219.115
Base-Backbone interact. energy: -1.328
local terms energy: -237.938668
where:
bonds (distance) C4'-P energy: -49.716
bonds (distance) P-C4' energy: -42.791
flat angles C4'-P-C4' energy: -48.614
flat angles P-C4'-P energy: -32.571
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: 7, replica: 2
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -770.616556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.616556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.616556 (E_RNA)
where:
Base-Base interactions energy: -537.418
where: short stacking energy: -213.365
Base-Backbone interact. energy: -2.576
local terms energy: -230.622987
where:
bonds (distance) C4'-P energy: -42.154
bonds (distance) P-C4' energy: -38.444
flat angles C4'-P-C4' energy: -62.299
flat angles P-C4'-P energy: -37.801
tors. eta vs tors. theta energy: -49.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -681.740751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.740751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.740751 (E_RNA)
where:
Base-Base interactions energy: -470.039
where: short stacking energy: -216.791
Base-Backbone interact. energy: 0.332
local terms energy: -212.033812
where:
bonds (distance) C4'-P energy: -38.147
bonds (distance) P-C4' energy: -35.497
flat angles C4'-P-C4' energy: -61.811
flat angles P-C4'-P energy: -31.027
tors. eta vs tors. theta energy: -45.552
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: 8
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -644.821446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.821446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.821446 (E_RNA)
where:
Base-Base interactions energy: -430.636
where: short stacking energy: -188.796
Base-Backbone interact. energy: -2.203
local terms energy: -211.982753
where:
bonds (distance) C4'-P energy: -42.131
bonds (distance) P-C4' energy: -51.665
flat angles C4'-P-C4' energy: -47.734
flat angles P-C4'-P energy: -21.299
tors. eta vs tors. theta energy: -49.153
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: 3
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -491.572881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.572881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.572881 (E_RNA)
where:
Base-Base interactions energy: -324.244
where: short stacking energy: -129.980
Base-Backbone interact. energy: 5.366
local terms energy: -172.694474
where:
bonds (distance) C4'-P energy: -31.286
bonds (distance) P-C4' energy: -49.597
flat angles C4'-P-C4' energy: -52.323
flat angles P-C4'-P energy: -24.472
tors. eta vs tors. theta energy: -15.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -957.614843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.614843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.614843 (E_RNA)
where:
Base-Base interactions energy: -672.330
where: short stacking energy: -277.605
Base-Backbone interact. energy: -1.460
local terms energy: -283.824635
where:
bonds (distance) C4'-P energy: -53.713
bonds (distance) P-C4' energy: -58.733
flat angles C4'-P-C4' energy: -63.022
flat angles P-C4'-P energy: -37.242
tors. eta vs tors. theta energy: -71.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -910.448844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.448844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.448844 (E_RNA)
where:
Base-Base interactions energy: -622.201
where: short stacking energy: -276.982
Base-Backbone interact. energy: -1.797
local terms energy: -286.451719
where:
bonds (distance) C4'-P energy: -53.364
bonds (distance) P-C4' energy: -62.540
flat angles C4'-P-C4' energy: -53.878
flat angles P-C4'-P energy: -42.490
tors. eta vs tors. theta energy: -74.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -913.146994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.146994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.146994 (E_RNA)
where:
Base-Base interactions energy: -647.513
where: short stacking energy: -270.792
Base-Backbone interact. energy: -1.393
local terms energy: -264.240087
where:
bonds (distance) C4'-P energy: -50.404
bonds (distance) P-C4' energy: -49.816
flat angles C4'-P-C4' energy: -54.658
flat angles P-C4'-P energy: -39.531
tors. eta vs tors. theta energy: -69.832
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: 267
Temperature: 1.050000
Total energy: -898.870494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.870494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.870494 (E_RNA)
where:
Base-Base interactions energy: -623.640
where: short stacking energy: -256.092
Base-Backbone interact. energy: -1.812
local terms energy: -273.418483
where:
bonds (distance) C4'-P energy: -54.394
bonds (distance) P-C4' energy: -52.707
flat angles C4'-P-C4' energy: -56.664
flat angles P-C4'-P energy: -42.979
tors. eta vs tors. theta energy: -66.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -834.326678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.326678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.326678 (E_RNA)
where:
Base-Base interactions energy: -604.365
where: short stacking energy: -239.801
Base-Backbone interact. energy: -0.760
local terms energy: -229.201349
where:
bonds (distance) C4'-P energy: -51.511
bonds (distance) P-C4' energy: -47.516
flat angles C4'-P-C4' energy: -44.722
flat angles P-C4'-P energy: -22.922
tors. eta vs tors. theta energy: -62.531
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: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -763.854865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.854865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.854865 (E_RNA)
where:
Base-Base interactions energy: -531.906
where: short stacking energy: -218.982
Base-Backbone interact. energy: -0.685
local terms energy: -231.263902
where:
bonds (distance) C4'-P energy: -41.979
bonds (distance) P-C4' energy: -43.523
flat angles C4'-P-C4' energy: -48.538
flat angles P-C4'-P energy: -40.420
tors. eta vs tors. theta energy: -56.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -708.145480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.145480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.145480 (E_RNA)
where:
Base-Base interactions energy: -511.232
where: short stacking energy: -227.888
Base-Backbone interact. energy: -2.379
local terms energy: -194.534650
where:
bonds (distance) C4'-P energy: -44.267
bonds (distance) P-C4' energy: -39.831
flat angles C4'-P-C4' energy: -36.471
flat angles P-C4'-P energy: -22.520
tors. eta vs tors. theta energy: -51.445
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: 8, replica: 9
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -686.954455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.954455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.954455 (E_RNA)
where:
Base-Base interactions energy: -459.978
where: short stacking energy: -182.991
Base-Backbone interact. energy: 0.212
local terms energy: -227.188034
where:
bonds (distance) C4'-P energy: -40.382
bonds (distance) P-C4' energy: -52.368
flat angles C4'-P-C4' energy: -57.572
flat angles P-C4'-P energy: -29.334
tors. eta vs tors. theta energy: -47.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -621.704926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.704926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.704926 (E_RNA)
where:
Base-Base interactions energy: -425.105
where: short stacking energy: -185.142
Base-Backbone interact. energy: -0.237
local terms energy: -196.363059
where:
bonds (distance) C4'-P energy: -34.703
bonds (distance) P-C4' energy: -41.871
flat angles C4'-P-C4' energy: -39.536
flat angles P-C4'-P energy: -33.914
tors. eta vs tors. theta energy: -46.339
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: 3
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -510.730356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.730356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.730356 (E_RNA)
where:
Base-Base interactions energy: -307.277
where: short stacking energy: -138.200
Base-Backbone interact. energy: -0.720
local terms energy: -202.732890
where:
bonds (distance) C4'-P energy: -42.014
bonds (distance) P-C4' energy: -46.926
flat angles C4'-P-C4' energy: -49.421
flat angles P-C4'-P energy: -32.448
tors. eta vs tors. theta energy: -31.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -966.553273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.553273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.553273 (E_RNA)
where:
Base-Base interactions energy: -664.286
where: short stacking energy: -279.971
Base-Backbone interact. energy: -1.455
local terms energy: -300.813029
where:
bonds (distance) C4'-P energy: -56.382
bonds (distance) P-C4' energy: -60.846
flat angles C4'-P-C4' energy: -57.388
flat angles P-C4'-P energy: -47.824
tors. eta vs tors. theta energy: -78.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -924.507379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.507379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.507379 (E_RNA)
where:
Base-Base interactions energy: -642.317
where: short stacking energy: -255.873
Base-Backbone interact. energy: -2.650
local terms energy: -279.540149
where:
bonds (distance) C4'-P energy: -55.189
bonds (distance) P-C4' energy: -56.150
flat angles C4'-P-C4' energy: -54.792
flat angles P-C4'-P energy: -33.615
tors. eta vs tors. theta energy: -79.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -931.985902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.985902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.985902 (E_RNA)
where:
Base-Base interactions energy: -656.982
where: short stacking energy: -273.857
Base-Backbone interact. energy: -3.391
local terms energy: -271.612803
where:
bonds (distance) C4'-P energy: -49.554
bonds (distance) P-C4' energy: -52.107
flat angles C4'-P-C4' energy: -58.150
flat angles P-C4'-P energy: -34.658
tors. eta vs tors. theta energy: -77.144
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: 1
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -882.132520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.132520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.132520 (E_RNA)
where:
Base-Base interactions energy: -611.440
where: short stacking energy: -244.427
Base-Backbone interact. energy: -1.540
local terms energy: -269.152372
where:
bonds (distance) C4'-P energy: -50.742
bonds (distance) P-C4' energy: -51.481
flat angles C4'-P-C4' energy: -59.928
flat angles P-C4'-P energy: -42.097
tors. eta vs tors. theta energy: -64.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -827.066245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.066245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.066245 (E_RNA)
where:
Base-Base interactions energy: -579.483
where: short stacking energy: -217.843
Base-Backbone interact. energy: 0.541
local terms energy: -248.124395
where:
bonds (distance) C4'-P energy: -56.199
bonds (distance) P-C4' energy: -43.963
flat angles C4'-P-C4' energy: -56.728
flat angles P-C4'-P energy: -37.644
tors. eta vs tors. theta energy: -53.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -795.017724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.017724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.017724 (E_RNA)
where:
Base-Base interactions energy: -545.920
where: short stacking energy: -236.031
Base-Backbone interact. energy: -1.925
local terms energy: -247.173321
where:
bonds (distance) C4'-P energy: -48.268
bonds (distance) P-C4' energy: -43.419
flat angles C4'-P-C4' energy: -58.773
flat angles P-C4'-P energy: -36.150
tors. eta vs tors. theta energy: -60.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -681.687704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.687704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.687704 (E_RNA)
where:
Base-Base interactions energy: -460.627
where: short stacking energy: -186.273
Base-Backbone interact. energy: -1.671
local terms energy: -219.389850
where:
bonds (distance) C4'-P energy: -41.916
bonds (distance) P-C4' energy: -49.982
flat angles C4'-P-C4' energy: -53.423
flat angles P-C4'-P energy: -35.549
tors. eta vs tors. theta energy: -38.519
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: 268
Temperature: 1.250000
Total energy: -686.239198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.239198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.239198 (E_RNA)
where:
Base-Base interactions energy: -469.004
where: short stacking energy: -180.832
Base-Backbone interact. energy: -1.568
local terms energy: -215.667392
where:
bonds (distance) C4'-P energy: -44.778
bonds (distance) P-C4' energy: -44.001
flat angles C4'-P-C4' energy: -47.211
flat angles P-C4'-P energy: -31.223
tors. eta vs tors. theta energy: -48.455
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: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -643.713324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.713324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.713324 (E_RNA)
where:
Base-Base interactions energy: -457.854
where: short stacking energy: -200.017
Base-Backbone interact. energy: -1.951
local terms energy: -183.908359
where:
bonds (distance) C4'-P energy: -34.260
bonds (distance) P-C4' energy: -42.162
flat angles C4'-P-C4' energy: -40.946
flat angles P-C4'-P energy: -23.505
tors. eta vs tors. theta energy: -43.035
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: 10, replica: 3
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -546.858887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.858887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.858887 (E_RNA)
where:
Base-Base interactions energy: -352.154
where: short stacking energy: -156.789
Base-Backbone interact. energy: -1.400
local terms energy: -193.305082
where:
bonds (distance) C4'-P energy: -50.539
bonds (distance) P-C4' energy: -47.629
flat angles C4'-P-C4' energy: -47.625
flat angles P-C4'-P energy: -30.681
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -959.899659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.899659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.899659 (E_RNA)
where:
Base-Base interactions energy: -671.072
where: short stacking energy: -275.337
Base-Backbone interact. energy: -0.603
local terms energy: -288.224178
where:
bonds (distance) C4'-P energy: -50.456
bonds (distance) P-C4' energy: -50.712
flat angles C4'-P-C4' energy: -59.116
flat angles P-C4'-P energy: -43.682
tors. eta vs tors. theta energy: -84.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -929.673339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.673339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.673339 (E_RNA)
where:
Base-Base interactions energy: -665.283
where: short stacking energy: -275.062
Base-Backbone interact. energy: -1.636
local terms energy: -262.754879
where:
bonds (distance) C4'-P energy: -55.003
bonds (distance) P-C4' energy: -35.309
flat angles C4'-P-C4' energy: -54.676
flat angles P-C4'-P energy: -40.007
tors. eta vs tors. theta energy: -77.761
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: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -895.086831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.086831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.086831 (E_RNA)
where:
Base-Base interactions energy: -637.292
where: short stacking energy: -276.498
Base-Backbone interact. energy: -1.563
local terms energy: -256.231412
where:
bonds (distance) C4'-P energy: -39.321
bonds (distance) P-C4' energy: -49.987
flat angles C4'-P-C4' energy: -56.504
flat angles P-C4'-P energy: -34.854
tors. eta vs tors. theta energy: -75.566
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: 1
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -897.455503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.455503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.455503 (E_RNA)
where:
Base-Base interactions energy: -641.808
where: short stacking energy: -246.414
Base-Backbone interact. energy: -1.381
local terms energy: -254.265805
where:
bonds (distance) C4'-P energy: -53.957
bonds (distance) P-C4' energy: -48.240
flat angles C4'-P-C4' energy: -54.897
flat angles P-C4'-P energy: -31.378
tors. eta vs tors. theta energy: -65.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -839.567519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.567519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.567519 (E_RNA)
where:
Base-Base interactions energy: -579.764
where: short stacking energy: -248.860
Base-Backbone interact. energy: -1.050
local terms energy: -258.753193
where:
bonds (distance) C4'-P energy: -61.134
bonds (distance) P-C4' energy: -47.967
flat angles C4'-P-C4' energy: -56.136
flat angles P-C4'-P energy: -31.820
tors. eta vs tors. theta energy: -61.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -790.933846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.933846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.933846 (E_RNA)
where:
Base-Base interactions energy: -550.948
where: short stacking energy: -229.308
Base-Backbone interact. energy: -0.893
local terms energy: -239.092699
where:
bonds (distance) C4'-P energy: -54.584
bonds (distance) P-C4' energy: -38.743
flat angles C4'-P-C4' energy: -56.381
flat angles P-C4'-P energy: -30.868
tors. eta vs tors. theta energy: -58.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -673.899635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.899635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.899635 (E_RNA)
where:
Base-Base interactions energy: -457.586
where: short stacking energy: -190.891
Base-Backbone interact. energy: 0.316
local terms energy: -216.629370
where:
bonds (distance) C4'-P energy: -48.744
bonds (distance) P-C4' energy: -46.557
flat angles C4'-P-C4' energy: -55.935
flat angles P-C4'-P energy: -30.314
tors. eta vs tors. theta energy: -35.080
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: 269
Temperature: 1.250000
Total energy: -682.104288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.104288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.104288 (E_RNA)
where:
Base-Base interactions energy: -482.225
where: short stacking energy: -208.310
Base-Backbone interact. energy: -1.024
local terms energy: -198.854974
where:
bonds (distance) C4'-P energy: -36.385
bonds (distance) P-C4' energy: -42.311
flat angles C4'-P-C4' energy: -40.565
flat angles P-C4'-P energy: -31.483
tors. eta vs tors. theta energy: -48.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -589.561416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.561416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.561416 (E_RNA)
where:
Base-Base interactions energy: -389.320
where: short stacking energy: -172.552
Base-Backbone interact. energy: -0.768
local terms energy: -199.473886
where:
bonds (distance) C4'-P energy: -46.221
bonds (distance) P-C4' energy: -54.167
flat angles C4'-P-C4' energy: -35.105
flat angles P-C4'-P energy: -28.945
tors. eta vs tors. theta energy: -35.037
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: 3
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -490.568832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.568832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.568832 (E_RNA)
where:
Base-Base interactions energy: -288.153
where: short stacking energy: -148.831
Base-Backbone interact. energy: -0.208
local terms energy: -202.208076
where:
bonds (distance) C4'-P energy: -44.620
bonds (distance) P-C4' energy: -51.025
flat angles C4'-P-C4' energy: -46.298
flat angles P-C4'-P energy: -27.433
tors. eta vs tors. theta energy: -32.832
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: 6
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -964.395350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.395350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.395350 (E_RNA)
where:
Base-Base interactions energy: -676.519
where: short stacking energy: -274.480
Base-Backbone interact. energy: -0.567
local terms energy: -287.309171
where:
bonds (distance) C4'-P energy: -52.508
bonds (distance) P-C4' energy: -52.827
flat angles C4'-P-C4' energy: -57.165
flat angles P-C4'-P energy: -45.502
tors. eta vs tors. theta energy: -79.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -923.549928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.549928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.549928 (E_RNA)
where:
Base-Base interactions energy: -650.171
where: short stacking energy: -276.472
Base-Backbone interact. energy: 1.524
local terms energy: -274.902902
where:
bonds (distance) C4'-P energy: -49.335
bonds (distance) P-C4' energy: -54.762
flat angles C4'-P-C4' energy: -57.937
flat angles P-C4'-P energy: -38.552
tors. eta vs tors. theta energy: -74.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -879.360816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.360816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.360816 (E_RNA)
where:
Base-Base interactions energy: -617.104
where: short stacking energy: -240.158
Base-Backbone interact. energy: 0.172
local terms energy: -262.428267
where:
bonds (distance) C4'-P energy: -53.094
bonds (distance) P-C4' energy: -49.844
flat angles C4'-P-C4' energy: -54.106
flat angles P-C4'-P energy: -36.042
tors. eta vs tors. theta energy: -69.342
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: 1
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -881.739357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.739357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.739357 (E_RNA)
where:
Base-Base interactions energy: -626.512
where: short stacking energy: -254.490
Base-Backbone interact. energy: -0.778
local terms energy: -254.449205
where:
bonds (distance) C4'-P energy: -38.365
bonds (distance) P-C4' energy: -51.769
flat angles C4'-P-C4' energy: -54.715
flat angles P-C4'-P energy: -34.983
tors. eta vs tors. theta energy: -74.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -842.062011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.062011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.062011 (E_RNA)
where:
Base-Base interactions energy: -595.173
where: short stacking energy: -239.620
Base-Backbone interact. energy: 0.752
local terms energy: -247.640211
where:
bonds (distance) C4'-P energy: -42.090
bonds (distance) P-C4' energy: -46.259
flat angles C4'-P-C4' energy: -49.539
flat angles P-C4'-P energy: -40.835
tors. eta vs tors. theta energy: -68.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -782.676576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.676576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.676576 (E_RNA)
where:
Base-Base interactions energy: -548.607
where: short stacking energy: -221.870
Base-Backbone interact. energy: 0.993
local terms energy: -235.061927
where:
bonds (distance) C4'-P energy: -47.684
bonds (distance) P-C4' energy: -41.894
flat angles C4'-P-C4' energy: -47.787
flat angles P-C4'-P energy: -33.607
tors. eta vs tors. theta energy: -64.089
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: 7, replica: 7
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -715.639028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.639028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.639028 (E_RNA)
where:
Base-Base interactions energy: -502.841
where: short stacking energy: -219.736
Base-Backbone interact. energy: -0.823
local terms energy: -211.975225
where:
bonds (distance) C4'-P energy: -36.238
bonds (distance) P-C4' energy: -47.899
flat angles C4'-P-C4' energy: -47.004
flat angles P-C4'-P energy: -23.869
tors. eta vs tors. theta energy: -56.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -634.308395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.308395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.308395 (E_RNA)
where:
Base-Base interactions energy: -405.038
where: short stacking energy: -161.985
Base-Backbone interact. energy: -1.130
local terms energy: -228.140754
where:
bonds (distance) C4'-P energy: -51.880
bonds (distance) P-C4' energy: -52.867
flat angles C4'-P-C4' energy: -45.603
flat angles P-C4'-P energy: -35.194
tors. eta vs tors. theta energy: -42.596
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: 8
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -589.666501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.666501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.666501 (E_RNA)
where:
Base-Base interactions energy: -378.651
where: short stacking energy: -167.179
Base-Backbone interact. energy: -0.887
local terms energy: -210.128399
where:
bonds (distance) C4'-P energy: -50.836
bonds (distance) P-C4' energy: -41.920
flat angles C4'-P-C4' energy: -54.405
flat angles P-C4'-P energy: -29.763
tors. eta vs tors. theta energy: -33.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -509.486098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.486098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.486098 (E_RNA)
where:
Base-Base interactions energy: -316.739
where: short stacking energy: -148.036
Base-Backbone interact. energy: -0.351
local terms energy: -192.395417
where:
bonds (distance) C4'-P energy: -48.180
bonds (distance) P-C4' energy: -42.046
flat angles C4'-P-C4' energy: -37.503
flat angles P-C4'-P energy: -27.181
tors. eta vs tors. theta energy: -37.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -976.134334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.134334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.134334 (E_RNA)
where:
Base-Base interactions energy: -697.047
where: short stacking energy: -280.606
Base-Backbone interact. energy: -2.703
local terms energy: -276.384380
where:
bonds (distance) C4'-P energy: -54.067
bonds (distance) P-C4' energy: -50.310
flat angles C4'-P-C4' energy: -57.738
flat angles P-C4'-P energy: -35.737
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: 2, replica: 10
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -938.542466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.542466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.542466 (E_RNA)
where:
Base-Base interactions energy: -651.772
where: short stacking energy: -254.298
Base-Backbone interact. energy: -0.889
local terms energy: -285.881414
where:
bonds (distance) C4'-P energy: -54.087
bonds (distance) P-C4' energy: -53.684
flat angles C4'-P-C4' energy: -66.122
flat angles P-C4'-P energy: -38.570
tors. eta vs tors. theta energy: -73.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -900.019942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.019942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.019942 (E_RNA)
where:
Base-Base interactions energy: -623.711
where: short stacking energy: -260.641
Base-Backbone interact. energy: -1.557
local terms energy: -274.752119
where:
bonds (distance) C4'-P energy: -48.377
bonds (distance) P-C4' energy: -47.723
flat angles C4'-P-C4' energy: -57.012
flat angles P-C4'-P energy: -38.698
tors. eta vs tors. theta energy: -82.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -871.366806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.366806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.366806 (E_RNA)
where:
Base-Base interactions energy: -625.922
where: short stacking energy: -244.659
Base-Backbone interact. energy: -0.299
local terms energy: -245.146482
where:
bonds (distance) C4'-P energy: -38.565
bonds (distance) P-C4' energy: -49.741
flat angles C4'-P-C4' energy: -48.443
flat angles P-C4'-P energy: -37.581
tors. eta vs tors. theta energy: -70.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -821.767712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.767712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.767712 (E_RNA)
where:
Base-Base interactions energy: -580.673
where: short stacking energy: -244.294
Base-Backbone interact. energy: -0.469
local terms energy: -240.626437
where:
bonds (distance) C4'-P energy: -43.861
bonds (distance) P-C4' energy: -42.020
flat angles C4'-P-C4' energy: -48.675
flat angles P-C4'-P energy: -41.620
tors. eta vs tors. theta energy: -64.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -727.423433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.423433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.423433 (E_RNA)
where:
Base-Base interactions energy: -496.894
where: short stacking energy: -207.724
Base-Backbone interact. energy: 0.642
local terms energy: -231.171560
where:
bonds (distance) C4'-P energy: -40.242
bonds (distance) P-C4' energy: -50.621
flat angles C4'-P-C4' energy: -51.056
flat angles P-C4'-P energy: -41.101
tors. eta vs tors. theta energy: -48.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -756.147898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.147898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.147898 (E_RNA)
where:
Base-Base interactions energy: -526.582
where: short stacking energy: -217.800
Base-Backbone interact. energy: -1.824
local terms energy: -227.742026
where:
bonds (distance) C4'-P energy: -37.425
bonds (distance) P-C4' energy: -49.446
flat angles C4'-P-C4' energy: -53.570
flat angles P-C4'-P energy: -31.440
tors. eta vs tors. theta energy: -55.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -612.440775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.440775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.440775 (E_RNA)
where:
Base-Base interactions energy: -403.237
where: short stacking energy: -164.677
Base-Backbone interact. energy: -0.756
local terms energy: -208.447345
where:
bonds (distance) C4'-P energy: -42.532
bonds (distance) P-C4' energy: -42.785
flat angles C4'-P-C4' energy: -51.706
flat angles P-C4'-P energy: -34.961
tors. eta vs tors. theta energy: -36.463
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: 271
Temperature: 1.300000
Total energy: -614.533756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.533756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.533756 (E_RNA)
where:
Base-Base interactions energy: -409.713
where: short stacking energy: -192.025
Base-Backbone interact. energy: 0.345
local terms energy: -205.165801
where:
bonds (distance) C4'-P energy: -44.321
bonds (distance) P-C4' energy: -40.211
flat angles C4'-P-C4' energy: -39.966
flat angles P-C4'-P energy: -36.903
tors. eta vs tors. theta energy: -43.765
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: 3
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -510.905528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.905528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.905528 (E_RNA)
where:
Base-Base interactions energy: -332.107
where: short stacking energy: -153.098
Base-Backbone interact. energy: 3.262
local terms energy: -182.060482
where:
bonds (distance) C4'-P energy: -39.309
bonds (distance) P-C4' energy: -37.960
flat angles C4'-P-C4' energy: -31.780
flat angles P-C4'-P energy: -41.727
tors. eta vs tors. theta energy: -31.284
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: 6
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -966.934766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.934766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.934766 (E_RNA)
where:
Base-Base interactions energy: -688.184
where: short stacking energy: -269.316
Base-Backbone interact. energy: -1.691
local terms energy: -277.059650
where:
bonds (distance) C4'-P energy: -48.711
bonds (distance) P-C4' energy: -48.728
flat angles C4'-P-C4' energy: -63.275
flat angles P-C4'-P energy: -39.628
tors. eta vs tors. theta energy: -76.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -941.438656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.438656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.438656 (E_RNA)
where:
Base-Base interactions energy: -660.331
where: short stacking energy: -263.541
Base-Backbone interact. energy: -1.046
local terms energy: -280.061789
where:
bonds (distance) C4'-P energy: -43.666
bonds (distance) P-C4' energy: -54.871
flat angles C4'-P-C4' energy: -59.091
flat angles P-C4'-P energy: -42.688
tors. eta vs tors. theta energy: -79.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -880.347791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.347791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.347791 (E_RNA)
where:
Base-Base interactions energy: -612.807
where: short stacking energy: -247.984
Base-Backbone interact. energy: -2.378
local terms energy: -265.162781
where:
bonds (distance) C4'-P energy: -54.196
bonds (distance) P-C4' energy: -52.334
flat angles C4'-P-C4' energy: -55.348
flat angles P-C4'-P energy: -39.710
tors. eta vs tors. theta energy: -63.575
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: 272
Temperature: 1.050000
Total energy: -886.635496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.635496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.635496 (E_RNA)
where:
Base-Base interactions energy: -618.409
where: short stacking energy: -251.339
Base-Backbone interact. energy: -1.294
local terms energy: -266.932222
where:
bonds (distance) C4'-P energy: -50.033
bonds (distance) P-C4' energy: -41.700
flat angles C4'-P-C4' energy: -59.461
flat angles P-C4'-P energy: -42.718
tors. eta vs tors. theta energy: -73.020
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: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -856.767547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.767547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.767547 (E_RNA)
where:
Base-Base interactions energy: -598.117
where: short stacking energy: -237.860
Base-Backbone interact. energy: -2.443
local terms energy: -256.207649
where:
bonds (distance) C4'-P energy: -48.206
bonds (distance) P-C4' energy: -48.578
flat angles C4'-P-C4' energy: -59.389
flat angles P-C4'-P energy: -37.412
tors. eta vs tors. theta energy: -62.623
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: 7
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -749.448762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.448762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.448762 (E_RNA)
where:
Base-Base interactions energy: -510.423
where: short stacking energy: -214.051
Base-Backbone interact. energy: -0.903
local terms energy: -238.122284
where:
bonds (distance) C4'-P energy: -43.264
bonds (distance) P-C4' energy: -47.949
flat angles C4'-P-C4' energy: -53.667
flat angles P-C4'-P energy: -33.299
tors. eta vs tors. theta energy: -59.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -765.985633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.985633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.985633 (E_RNA)
where:
Base-Base interactions energy: -516.883
where: short stacking energy: -217.077
Base-Backbone interact. energy: -0.927
local terms energy: -248.175677
where:
bonds (distance) C4'-P energy: -53.625
bonds (distance) P-C4' energy: -41.517
flat angles C4'-P-C4' energy: -56.435
flat angles P-C4'-P energy: -38.275
tors. eta vs tors. theta energy: -58.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -626.720100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.720100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.720100 (E_RNA)
where:
Base-Base interactions energy: -415.183
where: short stacking energy: -173.909
Base-Backbone interact. energy: -0.761
local terms energy: -210.775786
where:
bonds (distance) C4'-P energy: -40.561
bonds (distance) P-C4' energy: -51.130
flat angles C4'-P-C4' energy: -48.946
flat angles P-C4'-P energy: -31.962
tors. eta vs tors. theta energy: -38.177
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: 272
Temperature: 1.300000
Total energy: -609.553914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.553914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.553914 (E_RNA)
where:
Base-Base interactions energy: -398.247
where: short stacking energy: -169.670
Base-Backbone interact. energy: 2.556
local terms energy: -213.862527
where:
bonds (distance) C4'-P energy: -50.873
bonds (distance) P-C4' energy: -48.026
flat angles C4'-P-C4' energy: -45.440
flat angles P-C4'-P energy: -30.793
tors. eta vs tors. theta energy: -38.732
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: 3
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -501.470855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.470855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.470855 (E_RNA)
where:
Base-Base interactions energy: -321.719
where: short stacking energy: -134.812
Base-Backbone interact. energy: -0.841
local terms energy: -178.911494
where:
bonds (distance) C4'-P energy: -45.060
bonds (distance) P-C4' energy: -47.998
flat angles C4'-P-C4' energy: -42.073
flat angles P-C4'-P energy: -16.182
tors. eta vs tors. theta energy: -27.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -975.138760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.138760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.138760 (E_RNA)
where:
Base-Base interactions energy: -690.484
where: short stacking energy: -271.008
Base-Backbone interact. energy: -2.027
local terms energy: -282.627458
where:
bonds (distance) C4'-P energy: -50.181
bonds (distance) P-C4' energy: -53.760
flat angles C4'-P-C4' energy: -64.580
flat angles P-C4'-P energy: -37.036
tors. eta vs tors. theta energy: -77.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -959.557197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.557197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.557197 (E_RNA)
where:
Base-Base interactions energy: -672.508
where: short stacking energy: -290.553
Base-Backbone interact. energy: -0.344
local terms energy: -286.704635
where:
bonds (distance) C4'-P energy: -49.801
bonds (distance) P-C4' energy: -52.078
flat angles C4'-P-C4' energy: -62.683
flat angles P-C4'-P energy: -42.321
tors. eta vs tors. theta energy: -79.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -883.057625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.057625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.057625 (E_RNA)
where:
Base-Base interactions energy: -620.666
where: short stacking energy: -253.406
Base-Backbone interact. energy: 0.140
local terms energy: -262.531011
where:
bonds (distance) C4'-P energy: -52.463
bonds (distance) P-C4' energy: -51.655
flat angles C4'-P-C4' energy: -50.604
flat angles P-C4'-P energy: -37.783
tors. eta vs tors. theta energy: -70.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -874.004121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.004121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.004121 (E_RNA)
where:
Base-Base interactions energy: -614.485
where: short stacking energy: -246.547
Base-Backbone interact. energy: -0.797
local terms energy: -258.722189
where:
bonds (distance) C4'-P energy: -43.073
bonds (distance) P-C4' energy: -49.962
flat angles C4'-P-C4' energy: -60.532
flat angles P-C4'-P energy: -35.670
tors. eta vs tors. theta energy: -69.485
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: 5
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -846.672088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.672088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.672088 (E_RNA)
where:
Base-Base interactions energy: -593.441
where: short stacking energy: -235.097
Base-Backbone interact. energy: -1.422
local terms energy: -251.809304
where:
bonds (distance) C4'-P energy: -45.768
bonds (distance) P-C4' energy: -42.861
flat angles C4'-P-C4' energy: -56.495
flat angles P-C4'-P energy: -42.244
tors. eta vs tors. theta energy: -64.441
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: 6, replica: 2
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -772.286601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.286601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.286601 (E_RNA)
where:
Base-Base interactions energy: -546.020
where: short stacking energy: -225.144
Base-Backbone interact. energy: -2.226
local terms energy: -224.040477
where:
bonds (distance) C4'-P energy: -42.404
bonds (distance) P-C4' energy: -43.410
flat angles C4'-P-C4' energy: -56.072
flat angles P-C4'-P energy: -25.438
tors. eta vs tors. theta energy: -56.716
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: 7, replica: 7
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -748.104916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.104916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.104916 (E_RNA)
where:
Base-Base interactions energy: -511.499
where: short stacking energy: -205.997
Base-Backbone interact. energy: -0.658
local terms energy: -235.947449
where:
bonds (distance) C4'-P energy: -42.492
bonds (distance) P-C4' energy: -45.084
flat angles C4'-P-C4' energy: -54.647
flat angles P-C4'-P energy: -36.304
tors. eta vs tors. theta energy: -57.419
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: 9
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -673.155184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.155184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.155184 (E_RNA)
where:
Base-Base interactions energy: -455.875
where: short stacking energy: -190.382
Base-Backbone interact. energy: 1.836
local terms energy: -219.116164
where:
bonds (distance) C4'-P energy: -33.411
bonds (distance) P-C4' energy: -55.380
flat angles C4'-P-C4' energy: -50.295
flat angles P-C4'-P energy: -36.211
tors. eta vs tors. theta energy: -43.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -589.409791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.409791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.409791 (E_RNA)
where:
Base-Base interactions energy: -377.179
where: short stacking energy: -167.605
Base-Backbone interact. energy: 1.868
local terms energy: -214.098592
where:
bonds (distance) C4'-P energy: -48.257
bonds (distance) P-C4' energy: -52.542
flat angles C4'-P-C4' energy: -42.917
flat angles P-C4'-P energy: -33.895
tors. eta vs tors. theta energy: -36.488
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: 3
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -503.702228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.702228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.702228 (E_RNA)
where:
Base-Base interactions energy: -318.035
where: short stacking energy: -147.000
Base-Backbone interact. energy: 0.461
local terms energy: -186.128866
where:
bonds (distance) C4'-P energy: -50.077
bonds (distance) P-C4' energy: -47.304
flat angles C4'-P-C4' energy: -39.642
flat angles P-C4'-P energy: -27.802
tors. eta vs tors. theta energy: -21.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -974.446575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.446575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.446575 (E_RNA)
where:
Base-Base interactions energy: -691.625
where: short stacking energy: -289.463
Base-Backbone interact. energy: -0.172
local terms energy: -282.649400
where:
bonds (distance) C4'-P energy: -49.856
bonds (distance) P-C4' energy: -62.441
flat angles C4'-P-C4' energy: -52.082
flat angles P-C4'-P energy: -41.026
tors. eta vs tors. theta energy: -77.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -933.437500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.437500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.437500 (E_RNA)
where:
Base-Base interactions energy: -649.864
where: short stacking energy: -272.694
Base-Backbone interact. energy: -2.951
local terms energy: -280.622003
where:
bonds (distance) C4'-P energy: -55.619
bonds (distance) P-C4' energy: -52.375
flat angles C4'-P-C4' energy: -50.017
flat angles P-C4'-P energy: -41.780
tors. eta vs tors. theta energy: -80.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -902.817598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.817598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.817598 (E_RNA)
where:
Base-Base interactions energy: -632.211
where: short stacking energy: -258.870
Base-Backbone interact. energy: -0.172
local terms energy: -270.434308
where:
bonds (distance) C4'-P energy: -52.618
bonds (distance) P-C4' energy: -52.894
flat angles C4'-P-C4' energy: -60.508
flat angles P-C4'-P energy: -40.618
tors. eta vs tors. theta energy: -63.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -882.273443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.273443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.273443 (E_RNA)
where:
Base-Base interactions energy: -618.583
where: short stacking energy: -247.168
Base-Backbone interact. energy: -2.683
local terms energy: -261.007259
where:
bonds (distance) C4'-P energy: -48.686
bonds (distance) P-C4' energy: -49.577
flat angles C4'-P-C4' energy: -50.956
flat angles P-C4'-P energy: -37.374
tors. eta vs tors. theta energy: -74.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -866.998191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.998191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.998191 (E_RNA)
where:
Base-Base interactions energy: -621.496
where: short stacking energy: -255.703
Base-Backbone interact. energy: -0.876
local terms energy: -244.625455
where:
bonds (distance) C4'-P energy: -37.659
bonds (distance) P-C4' energy: -41.571
flat angles C4'-P-C4' energy: -58.867
flat angles P-C4'-P energy: -39.434
tors. eta vs tors. theta energy: -67.094
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: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -809.622251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.622251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.622251 (E_RNA)
where:
Base-Base interactions energy: -548.564
where: short stacking energy: -219.447
Base-Backbone interact. energy: -1.427
local terms energy: -259.631775
where:
bonds (distance) C4'-P energy: -50.731
bonds (distance) P-C4' energy: -59.826
flat angles C4'-P-C4' energy: -49.445
flat angles P-C4'-P energy: -36.729
tors. eta vs tors. theta energy: -62.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -731.762989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.762989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.762989 (E_RNA)
where:
Base-Base interactions energy: -485.479
where: short stacking energy: -206.440
Base-Backbone interact. energy: -0.738
local terms energy: -245.546364
where:
bonds (distance) C4'-P energy: -48.084
bonds (distance) P-C4' energy: -49.190
flat angles C4'-P-C4' energy: -54.388
flat angles P-C4'-P energy: -33.769
tors. eta vs tors. theta energy: -60.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -651.507785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.507785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.507785 (E_RNA)
where:
Base-Base interactions energy: -435.361
where: short stacking energy: -181.854
Base-Backbone interact. energy: -1.481
local terms energy: -214.665740
where:
bonds (distance) C4'-P energy: -44.931
bonds (distance) P-C4' energy: -42.688
flat angles C4'-P-C4' energy: -53.938
flat angles P-C4'-P energy: -25.790
tors. eta vs tors. theta energy: -47.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -567.456185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.456185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.456185 (E_RNA)
where:
Base-Base interactions energy: -371.656
where: short stacking energy: -152.689
Base-Backbone interact. energy: -1.137
local terms energy: -194.662742
where:
bonds (distance) C4'-P energy: -43.031
bonds (distance) P-C4' energy: -44.315
flat angles C4'-P-C4' energy: -44.738
flat angles P-C4'-P energy: -32.404
tors. eta vs tors. theta energy: -30.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -486.923549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.923549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.923549 (E_RNA)
where:
Base-Base interactions energy: -328.717
where: short stacking energy: -164.706
Base-Backbone interact. energy: -1.220
local terms energy: -156.986512
where:
bonds (distance) C4'-P energy: -33.430
bonds (distance) P-C4' energy: -44.144
flat angles C4'-P-C4' energy: -38.303
flat angles P-C4'-P energy: -21.739
tors. eta vs tors. theta energy: -19.370
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: 10
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -962.308545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.308545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.308545 (E_RNA)
where:
Base-Base interactions energy: -670.880
where: short stacking energy: -286.553
Base-Backbone interact. energy: -1.695
local terms energy: -289.733750
where:
bonds (distance) C4'-P energy: -49.244
bonds (distance) P-C4' energy: -49.364
flat angles C4'-P-C4' energy: -61.003
flat angles P-C4'-P energy: -48.808
tors. eta vs tors. theta energy: -81.314
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: 6
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -943.621965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.621965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.621965 (E_RNA)
where:
Base-Base interactions energy: -668.159
where: short stacking energy: -278.400
Base-Backbone interact. energy: -1.052
local terms energy: -274.411711
where:
bonds (distance) C4'-P energy: -46.250
bonds (distance) P-C4' energy: -51.935
flat angles C4'-P-C4' energy: -54.049
flat angles P-C4'-P energy: -40.210
tors. eta vs tors. theta energy: -81.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -908.632347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.632347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.632347 (E_RNA)
where:
Base-Base interactions energy: -635.502
where: short stacking energy: -270.850
Base-Backbone interact. energy: -1.964
local terms energy: -271.165534
where:
bonds (distance) C4'-P energy: -47.313
bonds (distance) P-C4' energy: -46.836
flat angles C4'-P-C4' energy: -59.874
flat angles P-C4'-P energy: -42.172
tors. eta vs tors. theta energy: -74.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -887.092953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.092953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.092953 (E_RNA)
where:
Base-Base interactions energy: -630.876
where: short stacking energy: -243.707
Base-Backbone interact. energy: -2.567
local terms energy: -253.650706
where:
bonds (distance) C4'-P energy: -47.156
bonds (distance) P-C4' energy: -46.932
flat angles C4'-P-C4' energy: -53.767
flat angles P-C4'-P energy: -37.050
tors. eta vs tors. theta energy: -68.746
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: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -857.415712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.415712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.415712 (E_RNA)
where:
Base-Base interactions energy: -605.255
where: short stacking energy: -242.723
Base-Backbone interact. energy: 3.957
local terms energy: -256.117297
where:
bonds (distance) C4'-P energy: -46.562
bonds (distance) P-C4' energy: -48.091
flat angles C4'-P-C4' energy: -54.585
flat angles P-C4'-P energy: -41.098
tors. eta vs tors. theta energy: -65.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -794.576912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.576912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.576912 (E_RNA)
where:
Base-Base interactions energy: -549.316
where: short stacking energy: -229.541
Base-Backbone interact. energy: -0.344
local terms energy: -244.917472
where:
bonds (distance) C4'-P energy: -52.622
bonds (distance) P-C4' energy: -47.302
flat angles C4'-P-C4' energy: -51.027
flat angles P-C4'-P energy: -33.237
tors. eta vs tors. theta energy: -60.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -742.437331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.437331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.437331 (E_RNA)
where:
Base-Base interactions energy: -521.471
where: short stacking energy: -223.006
Base-Backbone interact. energy: -0.294
local terms energy: -220.672859
where:
bonds (distance) C4'-P energy: -48.040
bonds (distance) P-C4' energy: -43.450
flat angles C4'-P-C4' energy: -44.256
flat angles P-C4'-P energy: -27.996
tors. eta vs tors. theta energy: -56.931
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: 9
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -651.664816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.664816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.664816 (E_RNA)
where:
Base-Base interactions energy: -434.934
where: short stacking energy: -194.212
Base-Backbone interact. energy: -0.672
local terms energy: -216.058867
where:
bonds (distance) C4'-P energy: -49.554
bonds (distance) P-C4' energy: -49.432
flat angles C4'-P-C4' energy: -46.509
flat angles P-C4'-P energy: -31.941
tors. eta vs tors. theta energy: -38.623
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: 9, replica: 8
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -597.675443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.675443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.675443 (E_RNA)
where:
Base-Base interactions energy: -386.446
where: short stacking energy: -174.030
Base-Backbone interact. energy: -0.794
local terms energy: -210.434947
where:
bonds (distance) C4'-P energy: -41.102
bonds (distance) P-C4' energy: -46.547
flat angles C4'-P-C4' energy: -55.597
flat angles P-C4'-P energy: -31.909
tors. eta vs tors. theta energy: -35.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -478.244780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.244780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.244780 (E_RNA)
where:
Base-Base interactions energy: -310.219
where: short stacking energy: -134.735
Base-Backbone interact. energy: 1.398
local terms energy: -169.423994
where:
bonds (distance) C4'-P energy: -54.151
bonds (distance) P-C4' energy: -38.453
flat angles C4'-P-C4' energy: -35.226
flat angles P-C4'-P energy: -19.230
tors. eta vs tors. theta energy: -22.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -954.621383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.621383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.621383 (E_RNA)
where:
Base-Base interactions energy: -655.908
where: short stacking energy: -281.434
Base-Backbone interact. energy: -2.695
local terms energy: -296.017779
where:
bonds (distance) C4'-P energy: -48.301
bonds (distance) P-C4' energy: -54.072
flat angles C4'-P-C4' energy: -61.006
flat angles P-C4'-P energy: -50.267
tors. eta vs tors. theta energy: -82.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -948.596782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.596782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.596782 (E_RNA)
where:
Base-Base interactions energy: -659.238
where: short stacking energy: -271.553
Base-Backbone interact. energy: -0.800
local terms energy: -288.558865
where:
bonds (distance) C4'-P energy: -47.864
bonds (distance) P-C4' energy: -56.775
flat angles C4'-P-C4' energy: -57.685
flat angles P-C4'-P energy: -43.875
tors. eta vs tors. theta energy: -82.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -889.743175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.743175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.743175 (E_RNA)
where:
Base-Base interactions energy: -624.332
where: short stacking energy: -262.746
Base-Backbone interact. energy: -1.420
local terms energy: -263.991037
where:
bonds (distance) C4'-P energy: -53.370
bonds (distance) P-C4' energy: -52.288
flat angles C4'-P-C4' energy: -51.881
flat angles P-C4'-P energy: -33.297
tors. eta vs tors. theta energy: -73.155
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: 4
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -870.137767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.137767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.137767 (E_RNA)
where:
Base-Base interactions energy: -602.564
where: short stacking energy: -249.438
Base-Backbone interact. energy: -3.036
local terms energy: -264.537310
where:
bonds (distance) C4'-P energy: -53.776
bonds (distance) P-C4' energy: -46.753
flat angles C4'-P-C4' energy: -57.281
flat angles P-C4'-P energy: -40.678
tors. eta vs tors. theta energy: -66.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -827.147551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.147551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.147551 (E_RNA)
where:
Base-Base interactions energy: -576.028
where: short stacking energy: -228.751
Base-Backbone interact. energy: -1.437
local terms energy: -249.682319
where:
bonds (distance) C4'-P energy: -47.823
bonds (distance) P-C4' energy: -48.388
flat angles C4'-P-C4' energy: -55.031
flat angles P-C4'-P energy: -33.927
tors. eta vs tors. theta energy: -64.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -791.873539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.873539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.873539 (E_RNA)
where:
Base-Base interactions energy: -558.115
where: short stacking energy: -238.296
Base-Backbone interact. energy: 2.684
local terms energy: -236.442664
where:
bonds (distance) C4'-P energy: -46.834
bonds (distance) P-C4' energy: -51.333
flat angles C4'-P-C4' energy: -45.571
flat angles P-C4'-P energy: -35.293
tors. eta vs tors. theta energy: -57.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -703.980705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.980705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.980705 (E_RNA)
where:
Base-Base interactions energy: -492.744
where: short stacking energy: -195.902
Base-Backbone interact. energy: 0.181
local terms energy: -211.417966
where:
bonds (distance) C4'-P energy: -43.243
bonds (distance) P-C4' energy: -41.736
flat angles C4'-P-C4' energy: -47.167
flat angles P-C4'-P energy: -31.585
tors. eta vs tors. theta energy: -47.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -655.393549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.393549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.393549 (E_RNA)
where:
Base-Base interactions energy: -445.408
where: short stacking energy: -182.370
Base-Backbone interact. energy: -1.554
local terms energy: -208.431054
where:
bonds (distance) C4'-P energy: -49.284
bonds (distance) P-C4' energy: -41.143
flat angles C4'-P-C4' energy: -44.546
flat angles P-C4'-P energy: -31.909
tors. eta vs tors. theta energy: -41.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -622.680693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.680693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.680693 (E_RNA)
where:
Base-Base interactions energy: -415.771
where: short stacking energy: -173.811
Base-Backbone interact. energy: 0.277
local terms energy: -207.186426
where:
bonds (distance) C4'-P energy: -44.439
bonds (distance) P-C4' energy: -41.051
flat angles C4'-P-C4' energy: -52.911
flat angles P-C4'-P energy: -33.424
tors. eta vs tors. theta energy: -35.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -470.419350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.419350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.419350 (E_RNA)
where:
Base-Base interactions energy: -302.332
where: short stacking energy: -122.820
Base-Backbone interact. energy: -1.057
local terms energy: -167.031011
where:
bonds (distance) C4'-P energy: -37.305
bonds (distance) P-C4' energy: -43.146
flat angles C4'-P-C4' energy: -42.273
flat angles P-C4'-P energy: -30.524
tors. eta vs tors. theta energy: -13.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -951.944711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.944711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.944711 (E_RNA)
where:
Base-Base interactions energy: -662.699
where: short stacking energy: -284.163
Base-Backbone interact. energy: -1.552
local terms energy: -287.693346
where:
bonds (distance) C4'-P energy: -55.534
bonds (distance) P-C4' energy: -50.909
flat angles C4'-P-C4' energy: -54.952
flat angles P-C4'-P energy: -49.788
tors. eta vs tors. theta energy: -76.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -925.522232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.522232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.522232 (E_RNA)
where:
Base-Base interactions energy: -648.249
where: short stacking energy: -281.401
Base-Backbone interact. energy: -0.519
local terms energy: -276.753923
where:
bonds (distance) C4'-P energy: -47.687
bonds (distance) P-C4' energy: -55.634
flat angles C4'-P-C4' energy: -57.460
flat angles P-C4'-P energy: -35.893
tors. eta vs tors. theta energy: -80.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -916.549703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.549703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.549703 (E_RNA)
where:
Base-Base interactions energy: -632.106
where: short stacking energy: -257.601
Base-Backbone interact. energy: -0.339
local terms energy: -284.104124
where:
bonds (distance) C4'-P energy: -51.607
bonds (distance) P-C4' energy: -58.203
flat angles C4'-P-C4' energy: -57.331
flat angles P-C4'-P energy: -36.091
tors. eta vs tors. theta energy: -80.872
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: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -836.140628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.140628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.140628 (E_RNA)
where:
Base-Base interactions energy: -576.009
where: short stacking energy: -242.597
Base-Backbone interact. energy: -0.990
local terms energy: -259.140888
where:
bonds (distance) C4'-P energy: -49.057
bonds (distance) P-C4' energy: -49.661
flat angles C4'-P-C4' energy: -49.776
flat angles P-C4'-P energy: -43.367
tors. eta vs tors. theta energy: -67.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -815.682032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.682032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.682032 (E_RNA)
where:
Base-Base interactions energy: -562.473
where: short stacking energy: -228.835
Base-Backbone interact. energy: -1.875
local terms energy: -251.333147
where:
bonds (distance) C4'-P energy: -46.335
bonds (distance) P-C4' energy: -48.688
flat angles C4'-P-C4' energy: -52.687
flat angles P-C4'-P energy: -43.389
tors. eta vs tors. theta energy: -60.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -732.384310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.384310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.384310 (E_RNA)
where:
Base-Base interactions energy: -498.171
where: short stacking energy: -212.440
Base-Backbone interact. energy: -1.090
local terms energy: -233.123146
where:
bonds (distance) C4'-P energy: -43.490
bonds (distance) P-C4' energy: -46.464
flat angles C4'-P-C4' energy: -56.298
flat angles P-C4'-P energy: -33.850
tors. eta vs tors. theta energy: -53.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -735.704025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.704025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.704025 (E_RNA)
where:
Base-Base interactions energy: -517.955
where: short stacking energy: -203.738
Base-Backbone interact. energy: -0.714
local terms energy: -217.034631
where:
bonds (distance) C4'-P energy: -41.796
bonds (distance) P-C4' energy: -41.524
flat angles C4'-P-C4' energy: -52.282
flat angles P-C4'-P energy: -32.904
tors. eta vs tors. theta energy: -48.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -663.801935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.801935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.801935 (E_RNA)
where:
Base-Base interactions energy: -442.375
where: short stacking energy: -209.433
Base-Backbone interact. energy: -0.318
local terms energy: -221.108984
where:
bonds (distance) C4'-P energy: -51.618
bonds (distance) P-C4' energy: -34.215
flat angles C4'-P-C4' energy: -49.188
flat angles P-C4'-P energy: -36.272
tors. eta vs tors. theta energy: -49.817
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: 8
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -589.436246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.436246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.436246 (E_RNA)
where:
Base-Base interactions energy: -403.548
where: short stacking energy: -176.788
Base-Backbone interact. energy: 2.755
local terms energy: -188.642576
where:
bonds (distance) C4'-P energy: -33.760
bonds (distance) P-C4' energy: -44.987
flat angles C4'-P-C4' energy: -47.569
flat angles P-C4'-P energy: -23.586
tors. eta vs tors. theta energy: -38.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -413.095639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.095639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.095639 (E_RNA)
where:
Base-Base interactions energy: -245.349
where: short stacking energy: -116.227
Base-Backbone interact. energy: -1.148
local terms energy: -166.599090
where:
bonds (distance) C4'-P energy: -48.701
bonds (distance) P-C4' energy: -47.055
flat angles C4'-P-C4' energy: -33.064
flat angles P-C4'-P energy: -24.112
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: 1, replica: 10
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -953.192430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.192430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.192430 (E_RNA)
where:
Base-Base interactions energy: -661.833
where: short stacking energy: -269.149
Base-Backbone interact. energy: -2.171
local terms energy: -289.188555
where:
bonds (distance) C4'-P energy: -49.385
bonds (distance) P-C4' energy: -57.404
flat angles C4'-P-C4' energy: -62.525
flat angles P-C4'-P energy: -46.101
tors. eta vs tors. theta energy: -73.772
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: 278
Temperature: 0.950000
Total energy: -948.510024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.510024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.510024 (E_RNA)
where:
Base-Base interactions energy: -655.390
where: short stacking energy: -271.461
Base-Backbone interact. energy: -1.314
local terms energy: -291.805910
where:
bonds (distance) C4'-P energy: -55.888
bonds (distance) P-C4' energy: -49.883
flat angles C4'-P-C4' energy: -58.124
flat angles P-C4'-P energy: -50.283
tors. eta vs tors. theta energy: -77.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -942.745449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.745449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.745449 (E_RNA)
where:
Base-Base interactions energy: -673.658
where: short stacking energy: -273.759
Base-Backbone interact. energy: -1.527
local terms energy: -267.560475
where:
bonds (distance) C4'-P energy: -58.918
bonds (distance) P-C4' energy: -42.348
flat angles C4'-P-C4' energy: -53.549
flat angles P-C4'-P energy: -34.591
tors. eta vs tors. theta energy: -78.154
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: 4, replica: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -863.917076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.917076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.917076 (E_RNA)
where:
Base-Base interactions energy: -602.733
where: short stacking energy: -264.055
Base-Backbone interact. energy: -0.466
local terms energy: -260.717806
where:
bonds (distance) C4'-P energy: -51.199
bonds (distance) P-C4' energy: -45.555
flat angles C4'-P-C4' energy: -58.106
flat angles P-C4'-P energy: -30.541
tors. eta vs tors. theta energy: -75.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -806.825479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.825479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.825479 (E_RNA)
where:
Base-Base interactions energy: -544.489
where: short stacking energy: -230.473
Base-Backbone interact. energy: -1.917
local terms energy: -260.419722
where:
bonds (distance) C4'-P energy: -43.572
bonds (distance) P-C4' energy: -56.940
flat angles C4'-P-C4' energy: -51.016
flat angles P-C4'-P energy: -45.803
tors. eta vs tors. theta energy: -63.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -743.705574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.705574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.705574 (E_RNA)
where:
Base-Base interactions energy: -501.672
where: short stacking energy: -221.788
Base-Backbone interact. energy: 0.490
local terms energy: -242.523992
where:
bonds (distance) C4'-P energy: -39.517
bonds (distance) P-C4' energy: -47.030
flat angles C4'-P-C4' energy: -47.587
flat angles P-C4'-P energy: -38.604
tors. eta vs tors. theta energy: -69.787
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: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -778.168320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.168320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.168320 (E_RNA)
where:
Base-Base interactions energy: -543.127
where: short stacking energy: -221.887
Base-Backbone interact. energy: -2.482
local terms energy: -232.559038
where:
bonds (distance) C4'-P energy: -45.892
bonds (distance) P-C4' energy: -46.705
flat angles C4'-P-C4' energy: -53.132
flat angles P-C4'-P energy: -30.456
tors. eta vs tors. theta energy: -56.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -631.455566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.455566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.455566 (E_RNA)
where:
Base-Base interactions energy: -413.093
where: short stacking energy: -177.798
Base-Backbone interact. energy: 0.537
local terms energy: -218.899661
where:
bonds (distance) C4'-P energy: -49.639
bonds (distance) P-C4' energy: -51.513
flat angles C4'-P-C4' energy: -51.088
flat angles P-C4'-P energy: -24.822
tors. eta vs tors. theta energy: -41.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -592.490063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.490063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.490063 (E_RNA)
where:
Base-Base interactions energy: -407.175
where: short stacking energy: -170.743
Base-Backbone interact. energy: -2.841
local terms energy: -182.474341
where:
bonds (distance) C4'-P energy: -51.260
bonds (distance) P-C4' energy: -41.748
flat angles C4'-P-C4' energy: -35.053
flat angles P-C4'-P energy: -21.830
tors. eta vs tors. theta energy: -32.584
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: 3
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -470.320831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.320831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.320831 (E_RNA)
where:
Base-Base interactions energy: -307.958
where: short stacking energy: -141.103
Base-Backbone interact. energy: -0.663
local terms energy: -161.700061
where:
bonds (distance) C4'-P energy: -27.454
bonds (distance) P-C4' energy: -49.126
flat angles C4'-P-C4' energy: -36.489
flat angles P-C4'-P energy: -28.212
tors. eta vs tors. theta energy: -20.418
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: 10
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -958.919164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.919164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.919164 (E_RNA)
where:
Base-Base interactions energy: -676.614
where: short stacking energy: -254.062
Base-Backbone interact. energy: -1.136
local terms energy: -281.169839
where:
bonds (distance) C4'-P energy: -46.529
bonds (distance) P-C4' energy: -61.628
flat angles C4'-P-C4' energy: -64.250
flat angles P-C4'-P energy: -40.019
tors. eta vs tors. theta energy: -68.743
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: 1
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -928.274797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.274797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.274797 (E_RNA)
where:
Base-Base interactions energy: -643.896
where: short stacking energy: -273.209
Base-Backbone interact. energy: -0.986
local terms energy: -283.392711
where:
bonds (distance) C4'-P energy: -51.768
bonds (distance) P-C4' energy: -57.370
flat angles C4'-P-C4' energy: -55.718
flat angles P-C4'-P energy: -41.194
tors. eta vs tors. theta energy: -77.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -893.905708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.905708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.905708 (E_RNA)
where:
Base-Base interactions energy: -626.815
where: short stacking energy: -244.334
Base-Backbone interact. energy: -2.350
local terms energy: -264.741450
where:
bonds (distance) C4'-P energy: -55.253
bonds (distance) P-C4' energy: -49.120
flat angles C4'-P-C4' energy: -56.660
flat angles P-C4'-P energy: -34.308
tors. eta vs tors. theta energy: -69.400
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: 279
Temperature: 1.050000
Total energy: -863.709904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.709904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.709904 (E_RNA)
where:
Base-Base interactions energy: -597.111
where: short stacking energy: -248.051
Base-Backbone interact. energy: -2.171
local terms energy: -264.428316
where:
bonds (distance) C4'-P energy: -50.254
bonds (distance) P-C4' energy: -44.555
flat angles C4'-P-C4' energy: -59.795
flat angles P-C4'-P energy: -42.051
tors. eta vs tors. theta energy: -67.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -802.694417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.694417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.694417 (E_RNA)
where:
Base-Base interactions energy: -554.968
where: short stacking energy: -249.950
Base-Backbone interact. energy: -2.092
local terms energy: -245.634753
where:
bonds (distance) C4'-P energy: -48.923
bonds (distance) P-C4' energy: -45.712
flat angles C4'-P-C4' energy: -45.475
flat angles P-C4'-P energy: -41.529
tors. eta vs tors. theta energy: -63.996
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: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -784.529677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.529677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.529677 (E_RNA)
where:
Base-Base interactions energy: -530.919
where: short stacking energy: -225.074
Base-Backbone interact. energy: -0.047
local terms energy: -253.563394
where:
bonds (distance) C4'-P energy: -49.878
bonds (distance) P-C4' energy: -48.813
flat angles C4'-P-C4' energy: -55.977
flat angles P-C4'-P energy: -41.940
tors. eta vs tors. theta energy: -56.954
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: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -678.620659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.620659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.620659 (E_RNA)
where:
Base-Base interactions energy: -454.089
where: short stacking energy: -178.289
Base-Backbone interact. energy: 2.256
local terms energy: -226.788380
where:
bonds (distance) C4'-P energy: -48.481
bonds (distance) P-C4' energy: -51.455
flat angles C4'-P-C4' energy: -49.500
flat angles P-C4'-P energy: -35.702
tors. eta vs tors. theta energy: -41.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -636.365278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.365278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.365278 (E_RNA)
where:
Base-Base interactions energy: -433.844
where: short stacking energy: -165.343
Base-Backbone interact. energy: -0.817
local terms energy: -201.704085
where:
bonds (distance) C4'-P energy: -42.426
bonds (distance) P-C4' energy: -47.092
flat angles C4'-P-C4' energy: -41.240
flat angles P-C4'-P energy: -35.895
tors. eta vs tors. theta energy: -35.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -609.401578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.401578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.401578 (E_RNA)
where:
Base-Base interactions energy: -399.067
where: short stacking energy: -179.833
Base-Backbone interact. energy: -0.047
local terms energy: -210.286949
where:
bonds (distance) C4'-P energy: -51.930
bonds (distance) P-C4' energy: -47.580
flat angles C4'-P-C4' energy: -49.416
flat angles P-C4'-P energy: -22.340
tors. eta vs tors. theta energy: -39.020
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: 3
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -433.196901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.196901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.196901 (E_RNA)
where:
Base-Base interactions energy: -270.802
where: short stacking energy: -128.265
Base-Backbone interact. energy: -2.030
local terms energy: -160.365408
where:
bonds (distance) C4'-P energy: -35.075
bonds (distance) P-C4' energy: -41.384
flat angles C4'-P-C4' energy: -37.660
flat angles P-C4'-P energy: -23.607
tors. eta vs tors. theta energy: -22.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -939.311122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.311122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.311122 (E_RNA)
where:
Base-Base interactions energy: -657.893
where: short stacking energy: -278.510
Base-Backbone interact. energy: -0.225
local terms energy: -281.192832
where:
bonds (distance) C4'-P energy: -53.107
bonds (distance) P-C4' energy: -48.619
flat angles C4'-P-C4' energy: -59.372
flat angles P-C4'-P energy: -43.859
tors. eta vs tors. theta energy: -76.235
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: 1
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -938.356428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.356428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.356428 (E_RNA)
where:
Base-Base interactions energy: -657.171
where: short stacking energy: -257.720
Base-Backbone interact. energy: -2.191
local terms energy: -278.994365
where:
bonds (distance) C4'-P energy: -51.811
bonds (distance) P-C4' energy: -51.181
flat angles C4'-P-C4' energy: -58.923
flat angles P-C4'-P energy: -37.510
tors. eta vs tors. theta energy: -79.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -904.366330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.366330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.366330 (E_RNA)
where:
Base-Base interactions energy: -633.134
where: short stacking energy: -247.855
Base-Backbone interact. energy: -0.782
local terms energy: -270.449702
where:
bonds (distance) C4'-P energy: -50.543
bonds (distance) P-C4' energy: -57.097
flat angles C4'-P-C4' energy: -59.695
flat angles P-C4'-P energy: -36.753
tors. eta vs tors. theta energy: -66.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -850.877811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.877811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.877811 (E_RNA)
where:
Base-Base interactions energy: -585.150
where: short stacking energy: -243.998
Base-Backbone interact. energy: -1.909
local terms energy: -263.818598
where:
bonds (distance) C4'-P energy: -37.787
bonds (distance) P-C4' energy: -56.363
flat angles C4'-P-C4' energy: -54.708
flat angles P-C4'-P energy: -41.471
tors. eta vs tors. theta energy: -73.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -777.097959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.097959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.097959 (E_RNA)
where:
Base-Base interactions energy: -542.721
where: short stacking energy: -221.593
Base-Backbone interact. energy: -1.057
local terms energy: -233.320589
where:
bonds (distance) C4'-P energy: -45.745
bonds (distance) P-C4' energy: -44.554
flat angles C4'-P-C4' energy: -54.024
flat angles P-C4'-P energy: -36.694
tors. eta vs tors. theta energy: -52.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -763.972205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.972205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.972205 (E_RNA)
where:
Base-Base interactions energy: -541.064
where: short stacking energy: -216.214
Base-Backbone interact. energy: -1.345
local terms energy: -221.562719
where:
bonds (distance) C4'-P energy: -41.600
bonds (distance) P-C4' energy: -42.724
flat angles C4'-P-C4' energy: -48.816
flat angles P-C4'-P energy: -32.154
tors. eta vs tors. theta energy: -56.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -655.276363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.276363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.276363 (E_RNA)
where:
Base-Base interactions energy: -440.077
where: short stacking energy: -198.700
Base-Backbone interact. energy: 0.042
local terms energy: -215.241464
where:
bonds (distance) C4'-P energy: -42.856
bonds (distance) P-C4' energy: -48.034
flat angles C4'-P-C4' energy: -44.713
flat angles P-C4'-P energy: -29.170
tors. eta vs tors. theta energy: -50.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -696.067649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.067649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.067649 (E_RNA)
where:
Base-Base interactions energy: -487.193
where: short stacking energy: -215.627
Base-Backbone interact. energy: -1.233
local terms energy: -207.641479
where:
bonds (distance) C4'-P energy: -41.750
bonds (distance) P-C4' energy: -45.137
flat angles C4'-P-C4' energy: -50.491
flat angles P-C4'-P energy: -26.693
tors. eta vs tors. theta energy: -43.570
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: 8
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -604.689479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.689479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.689479 (E_RNA)
where:
Base-Base interactions energy: -384.210
where: short stacking energy: -167.764
Base-Backbone interact. energy: -0.993
local terms energy: -219.486210
where:
bonds (distance) C4'-P energy: -50.397
bonds (distance) P-C4' energy: -48.487
flat angles C4'-P-C4' energy: -50.803
flat angles P-C4'-P energy: -36.305
tors. eta vs tors. theta energy: -33.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -481.175218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.175218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.175218 (E_RNA)
where:
Base-Base interactions energy: -301.024
where: short stacking energy: -130.551
Base-Backbone interact. energy: 1.329
local terms energy: -181.480060
where:
bonds (distance) C4'-P energy: -37.697
bonds (distance) P-C4' energy: -50.150
flat angles C4'-P-C4' energy: -38.380
flat angles P-C4'-P energy: -37.979
tors. eta vs tors. theta energy: -17.274
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: 10
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -949.930591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.930591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.930591 (E_RNA)
where:
Base-Base interactions energy: -662.680
where: short stacking energy: -278.560
Base-Backbone interact. energy: -1.809
local terms energy: -285.441722
where:
bonds (distance) C4'-P energy: -46.207
bonds (distance) P-C4' energy: -52.557
flat angles C4'-P-C4' energy: -64.971
flat angles P-C4'-P energy: -44.981
tors. eta vs tors. theta energy: -76.725
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: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -947.468425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.468425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.468425 (E_RNA)
where:
Base-Base interactions energy: -668.399
where: short stacking energy: -272.093
Base-Backbone interact. energy: -1.928
local terms energy: -277.141854
where:
bonds (distance) C4'-P energy: -48.361
bonds (distance) P-C4' energy: -58.818
flat angles C4'-P-C4' energy: -60.700
flat angles P-C4'-P energy: -34.439
tors. eta vs tors. theta energy: -74.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -895.524803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.524803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.524803 (E_RNA)
where:
Base-Base interactions energy: -610.862
where: short stacking energy: -246.272
Base-Backbone interact. energy: -1.356
local terms energy: -283.306375
where:
bonds (distance) C4'-P energy: -54.067
bonds (distance) P-C4' energy: -51.347
flat angles C4'-P-C4' energy: -56.736
flat angles P-C4'-P energy: -45.616
tors. eta vs tors. theta energy: -75.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -778.459919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.459919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.459919 (E_RNA)
where:
Base-Base interactions energy: -534.059
where: short stacking energy: -222.102
Base-Backbone interact. energy: -2.341
local terms energy: -242.060390
where:
bonds (distance) C4'-P energy: -47.405
bonds (distance) P-C4' energy: -52.528
flat angles C4'-P-C4' energy: -53.530
flat angles P-C4'-P energy: -35.935
tors. eta vs tors. theta energy: -52.662
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: 4
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -806.881157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.881157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.881157 (E_RNA)
where:
Base-Base interactions energy: -555.011
where: short stacking energy: -229.790
Base-Backbone interact. energy: -0.569
local terms energy: -251.301471
where:
bonds (distance) C4'-P energy: -48.152
bonds (distance) P-C4' energy: -51.496
flat angles C4'-P-C4' energy: -50.238
flat angles P-C4'-P energy: -44.706
tors. eta vs tors. theta energy: -56.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -732.033174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.033174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.033174 (E_RNA)
where:
Base-Base interactions energy: -498.887
where: short stacking energy: -220.929
Base-Backbone interact. energy: 2.488
local terms energy: -235.635035
where:
bonds (distance) C4'-P energy: -43.588
bonds (distance) P-C4' energy: -41.835
flat angles C4'-P-C4' energy: -50.901
flat angles P-C4'-P energy: -39.299
tors. eta vs tors. theta energy: -60.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -653.312066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.312066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.312066 (E_RNA)
where:
Base-Base interactions energy: -430.880
where: short stacking energy: -183.209
Base-Backbone interact. energy: -0.130
local terms energy: -222.302244
where:
bonds (distance) C4'-P energy: -56.688
bonds (distance) P-C4' energy: -51.136
flat angles C4'-P-C4' energy: -47.142
flat angles P-C4'-P energy: -25.601
tors. eta vs tors. theta energy: -41.735
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: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -615.813481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.813481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.813481 (E_RNA)
where:
Base-Base interactions energy: -427.451
where: short stacking energy: -176.626
Base-Backbone interact. energy: 0.639
local terms energy: -189.002024
where:
bonds (distance) C4'-P energy: -33.429
bonds (distance) P-C4' energy: -52.576
flat angles C4'-P-C4' energy: -32.870
flat angles P-C4'-P energy: -28.881
tors. eta vs tors. theta energy: -41.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -635.227751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.227751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.227751 (E_RNA)
where:
Base-Base interactions energy: -422.968
where: short stacking energy: -170.377
Base-Backbone interact. energy: -0.897
local terms energy: -211.361940
where:
bonds (distance) C4'-P energy: -49.151
bonds (distance) P-C4' energy: -41.071
flat angles C4'-P-C4' energy: -40.748
flat angles P-C4'-P energy: -35.166
tors. eta vs tors. theta energy: -45.226
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: 3
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -488.565499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.565499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.565499 (E_RNA)
where:
Base-Base interactions energy: -318.348
where: short stacking energy: -125.271
Base-Backbone interact. energy: 0.178
local terms energy: -170.395206
where:
bonds (distance) C4'-P energy: -40.069
bonds (distance) P-C4' energy: -52.867
flat angles C4'-P-C4' energy: -42.937
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -24.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -946.172414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.172414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.172414 (E_RNA)
where:
Base-Base interactions energy: -668.424
where: short stacking energy: -265.791
Base-Backbone interact. energy: -2.144
local terms energy: -275.604268
where:
bonds (distance) C4'-P energy: -59.373
bonds (distance) P-C4' energy: -46.852
flat angles C4'-P-C4' energy: -57.028
flat angles P-C4'-P energy: -40.645
tors. eta vs tors. theta energy: -71.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -941.614151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.614151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.614151 (E_RNA)
where:
Base-Base interactions energy: -654.652
where: short stacking energy: -264.220
Base-Backbone interact. energy: -1.255
local terms energy: -285.707234
where:
bonds (distance) C4'-P energy: -58.344
bonds (distance) P-C4' energy: -48.579
flat angles C4'-P-C4' energy: -62.619
flat angles P-C4'-P energy: -39.307
tors. eta vs tors. theta energy: -76.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -894.410215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.410215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.410215 (E_RNA)
where:
Base-Base interactions energy: -625.214
where: short stacking energy: -249.763
Base-Backbone interact. energy: -4.037
local terms energy: -265.159764
where:
bonds (distance) C4'-P energy: -43.078
bonds (distance) P-C4' energy: -50.367
flat angles C4'-P-C4' energy: -61.384
flat angles P-C4'-P energy: -40.267
tors. eta vs tors. theta energy: -70.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -822.316682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.316682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.316682 (E_RNA)
where:
Base-Base interactions energy: -574.846
where: short stacking energy: -236.588
Base-Backbone interact. energy: -2.341
local terms energy: -245.129185
where:
bonds (distance) C4'-P energy: -42.221
bonds (distance) P-C4' energy: -52.131
flat angles C4'-P-C4' energy: -53.769
flat angles P-C4'-P energy: -38.967
tors. eta vs tors. theta energy: -58.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -799.885761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.885761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.885761 (E_RNA)
where:
Base-Base interactions energy: -547.156
where: short stacking energy: -234.355
Base-Backbone interact. energy: -2.735
local terms energy: -249.994933
where:
bonds (distance) C4'-P energy: -44.748
bonds (distance) P-C4' energy: -42.411
flat angles C4'-P-C4' energy: -63.058
flat angles P-C4'-P energy: -37.530
tors. eta vs tors. theta energy: -62.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -733.534827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.534827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.534827 (E_RNA)
where:
Base-Base interactions energy: -489.224
where: short stacking energy: -229.721
Base-Backbone interact. energy: -0.495
local terms energy: -243.815812
where:
bonds (distance) C4'-P energy: -47.987
bonds (distance) P-C4' energy: -50.892
flat angles C4'-P-C4' energy: -53.019
flat angles P-C4'-P energy: -31.611
tors. eta vs tors. theta energy: -60.307
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: 9
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -652.381223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.381223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.381223 (E_RNA)
where:
Base-Base interactions energy: -462.145
where: short stacking energy: -209.683
Base-Backbone interact. energy: 1.153
local terms energy: -191.389842
where:
bonds (distance) C4'-P energy: -43.731
bonds (distance) P-C4' energy: -34.028
flat angles C4'-P-C4' energy: -39.725
flat angles P-C4'-P energy: -28.430
tors. eta vs tors. theta energy: -45.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -608.629122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.629122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.629122 (E_RNA)
where:
Base-Base interactions energy: -406.280
where: short stacking energy: -173.141
Base-Backbone interact. energy: -2.109
local terms energy: -200.240733
where:
bonds (distance) C4'-P energy: -37.866
bonds (distance) P-C4' energy: -48.694
flat angles C4'-P-C4' energy: -39.561
flat angles P-C4'-P energy: -35.613
tors. eta vs tors. theta energy: -38.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -624.968844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.968844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.968844 (E_RNA)
where:
Base-Base interactions energy: -438.709
where: short stacking energy: -166.282
Base-Backbone interact. energy: -1.165
local terms energy: -185.094546
where:
bonds (distance) C4'-P energy: -38.053
bonds (distance) P-C4' energy: -42.174
flat angles C4'-P-C4' energy: -47.445
flat angles P-C4'-P energy: -20.244
tors. eta vs tors. theta energy: -37.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -460.186115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.186115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.186115 (E_RNA)
where:
Base-Base interactions energy: -296.008
where: short stacking energy: -123.670
Base-Backbone interact. energy: 0.974
local terms energy: -165.152360
where:
bonds (distance) C4'-P energy: -33.592
bonds (distance) P-C4' energy: -50.537
flat angles C4'-P-C4' energy: -46.722
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -14.642
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: 10
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -930.444823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.444823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.444823 (E_RNA)
where:
Base-Base interactions energy: -646.649
where: short stacking energy: -266.429
Base-Backbone interact. energy: -1.706
local terms energy: -282.089561
where:
bonds (distance) C4'-P energy: -56.341
bonds (distance) P-C4' energy: -58.537
flat angles C4'-P-C4' energy: -58.796
flat angles P-C4'-P energy: -37.359
tors. eta vs tors. theta energy: -71.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -946.895227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.895227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.895227 (E_RNA)
where:
Base-Base interactions energy: -666.556
where: short stacking energy: -273.623
Base-Backbone interact. energy: -1.017
local terms energy: -279.322950
where:
bonds (distance) C4'-P energy: -47.797
bonds (distance) P-C4' energy: -54.625
flat angles C4'-P-C4' energy: -57.804
flat angles P-C4'-P energy: -41.779
tors. eta vs tors. theta energy: -77.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -921.808889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.808889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.808889 (E_RNA)
where:
Base-Base interactions energy: -632.309
where: short stacking energy: -254.721
Base-Backbone interact. energy: 0.050
local terms energy: -289.550345
where:
bonds (distance) C4'-P energy: -54.164
bonds (distance) P-C4' energy: -57.763
flat angles C4'-P-C4' energy: -59.138
flat angles P-C4'-P energy: -40.016
tors. eta vs tors. theta energy: -78.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -810.582725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.582725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.582725 (E_RNA)
where:
Base-Base interactions energy: -558.460
where: short stacking energy: -206.383
Base-Backbone interact. energy: 0.605
local terms energy: -252.727511
where:
bonds (distance) C4'-P energy: -53.528
bonds (distance) P-C4' energy: -57.029
flat angles C4'-P-C4' energy: -58.755
flat angles P-C4'-P energy: -31.302
tors. eta vs tors. theta energy: -52.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -793.790227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.790227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.790227 (E_RNA)
where:
Base-Base interactions energy: -558.853
where: short stacking energy: -220.919
Base-Backbone interact. energy: -0.372
local terms energy: -234.565523
where:
bonds (distance) C4'-P energy: -50.103
bonds (distance) P-C4' energy: -45.802
flat angles C4'-P-C4' energy: -43.589
flat angles P-C4'-P energy: -35.759
tors. eta vs tors. theta energy: -59.313
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: 6, replica: 2
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -741.820105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.820105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.820105 (E_RNA)
where:
Base-Base interactions energy: -492.162
where: short stacking energy: -201.280
Base-Backbone interact. energy: -0.955
local terms energy: -248.702919
where:
bonds (distance) C4'-P energy: -54.088
bonds (distance) P-C4' energy: -52.083
flat angles C4'-P-C4' energy: -53.742
flat angles P-C4'-P energy: -32.558
tors. eta vs tors. theta energy: -56.232
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: 9
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -623.447118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.447118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.447118 (E_RNA)
where:
Base-Base interactions energy: -409.870
where: short stacking energy: -185.494
Base-Backbone interact. energy: 1.676
local terms energy: -215.253127
where:
bonds (distance) C4'-P energy: -46.244
bonds (distance) P-C4' energy: -48.616
flat angles C4'-P-C4' energy: -53.839
flat angles P-C4'-P energy: -31.414
tors. eta vs tors. theta energy: -35.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -655.161410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.161410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.161410 (E_RNA)
where:
Base-Base interactions energy: -452.338
where: short stacking energy: -195.037
Base-Backbone interact. energy: -2.016
local terms energy: -200.807244
where:
bonds (distance) C4'-P energy: -39.636
bonds (distance) P-C4' energy: -42.848
flat angles C4'-P-C4' energy: -60.920
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -44.277
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: 9, replica: 8
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -637.100099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.100099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.100099 (E_RNA)
where:
Base-Base interactions energy: -435.897
where: short stacking energy: -195.032
Base-Backbone interact. energy: 0.197
local terms energy: -201.400094
where:
bonds (distance) C4'-P energy: -37.091
bonds (distance) P-C4' energy: -48.411
flat angles C4'-P-C4' energy: -35.564
flat angles P-C4'-P energy: -32.502
tors. eta vs tors. theta energy: -47.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -477.742130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.742130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.742130 (E_RNA)
where:
Base-Base interactions energy: -298.277
where: short stacking energy: -130.313
Base-Backbone interact. energy: -0.571
local terms energy: -178.894768
where:
bonds (distance) C4'-P energy: -45.816
bonds (distance) P-C4' energy: -44.780
flat angles C4'-P-C4' energy: -40.468
flat angles P-C4'-P energy: -23.900
tors. eta vs tors. theta energy: -23.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -966.521216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.521216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.521216 (E_RNA)
where:
Base-Base interactions energy: -671.772
where: short stacking energy: -281.404
Base-Backbone interact. energy: -2.945
local terms energy: -291.804982
where:
bonds (distance) C4'-P energy: -56.889
bonds (distance) P-C4' energy: -51.616
flat angles C4'-P-C4' energy: -56.465
flat angles P-C4'-P energy: -44.241
tors. eta vs tors. theta energy: -82.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -930.148172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.148172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.148172 (E_RNA)
where:
Base-Base interactions energy: -651.454
where: short stacking energy: -262.924
Base-Backbone interact. energy: 0.058
local terms energy: -278.752377
where:
bonds (distance) C4'-P energy: -54.966
bonds (distance) P-C4' energy: -48.676
flat angles C4'-P-C4' energy: -58.430
flat angles P-C4'-P energy: -42.172
tors. eta vs tors. theta energy: -74.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -940.794733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.794733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.794733 (E_RNA)
where:
Base-Base interactions energy: -660.717
where: short stacking energy: -269.771
Base-Backbone interact. energy: -0.616
local terms energy: -279.462674
where:
bonds (distance) C4'-P energy: -50.675
bonds (distance) P-C4' energy: -41.663
flat angles C4'-P-C4' energy: -56.462
flat angles P-C4'-P energy: -46.025
tors. eta vs tors. theta energy: -84.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -820.147612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.147612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.147612 (E_RNA)
where:
Base-Base interactions energy: -548.914
where: short stacking energy: -231.764
Base-Backbone interact. energy: -0.053
local terms energy: -271.180843
where:
bonds (distance) C4'-P energy: -52.070
bonds (distance) P-C4' energy: -56.319
flat angles C4'-P-C4' energy: -54.508
flat angles P-C4'-P energy: -46.200
tors. eta vs tors. theta energy: -62.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -833.213109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.213109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.213109 (E_RNA)
where:
Base-Base interactions energy: -573.345
where: short stacking energy: -228.977
Base-Backbone interact. energy: -1.526
local terms energy: -258.342436
where:
bonds (distance) C4'-P energy: -43.464
bonds (distance) P-C4' energy: -55.900
flat angles C4'-P-C4' energy: -58.052
flat angles P-C4'-P energy: -33.563
tors. eta vs tors. theta energy: -67.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -704.331321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.331321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.331321 (E_RNA)
where:
Base-Base interactions energy: -480.816
where: short stacking energy: -193.658
Base-Backbone interact. energy: -0.984
local terms energy: -222.531294
where:
bonds (distance) C4'-P energy: -42.700
bonds (distance) P-C4' energy: -37.545
flat angles C4'-P-C4' energy: -48.188
flat angles P-C4'-P energy: -37.846
tors. eta vs tors. theta energy: -56.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -686.052950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.052950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.052950 (E_RNA)
where:
Base-Base interactions energy: -456.726
where: short stacking energy: -184.390
Base-Backbone interact. energy: 2.403
local terms energy: -231.730104
where:
bonds (distance) C4'-P energy: -46.211
bonds (distance) P-C4' energy: -64.303
flat angles C4'-P-C4' energy: -40.262
flat angles P-C4'-P energy: -35.929
tors. eta vs tors. theta energy: -45.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -624.544236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.544236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.544236 (E_RNA)
where:
Base-Base interactions energy: -427.856
where: short stacking energy: -202.337
Base-Backbone interact. energy: -0.992
local terms energy: -195.695459
where:
bonds (distance) C4'-P energy: -41.137
bonds (distance) P-C4' energy: -38.012
flat angles C4'-P-C4' energy: -46.099
flat angles P-C4'-P energy: -21.889
tors. eta vs tors. theta energy: -48.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -604.159063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.159063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.159063 (E_RNA)
where:
Base-Base interactions energy: -416.554
where: short stacking energy: -175.799
Base-Backbone interact. energy: -1.616
local terms energy: -185.988920
where:
bonds (distance) C4'-P energy: -41.658
bonds (distance) P-C4' energy: -34.087
flat angles C4'-P-C4' energy: -42.749
flat angles P-C4'-P energy: -32.569
tors. eta vs tors. theta energy: -34.926
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: 3
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -521.197589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.197589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.197589 (E_RNA)
where:
Base-Base interactions energy: -342.273
where: short stacking energy: -132.369
Base-Backbone interact. energy: 0.587
local terms energy: -179.511932
where:
bonds (distance) C4'-P energy: -39.065
bonds (distance) P-C4' energy: -39.995
flat angles C4'-P-C4' energy: -46.259
flat angles P-C4'-P energy: -35.371
tors. eta vs tors. theta energy: -18.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -963.567372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.567372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.567372 (E_RNA)
where:
Base-Base interactions energy: -676.235
where: short stacking energy: -284.193
Base-Backbone interact. energy: -2.130
local terms energy: -285.202418
where:
bonds (distance) C4'-P energy: -49.044
bonds (distance) P-C4' energy: -50.059
flat angles C4'-P-C4' energy: -62.477
flat angles P-C4'-P energy: -41.344
tors. eta vs tors. theta energy: -82.277
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: 6
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -968.364480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.364480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.364480 (E_RNA)
where:
Base-Base interactions energy: -681.575
where: short stacking energy: -283.623
Base-Backbone interact. energy: -3.660
local terms energy: -283.129222
where:
bonds (distance) C4'-P energy: -49.029
bonds (distance) P-C4' energy: -43.593
flat angles C4'-P-C4' energy: -62.050
flat angles P-C4'-P energy: -48.582
tors. eta vs tors. theta energy: -79.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -915.910018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.910018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.910018 (E_RNA)
where:
Base-Base interactions energy: -630.780
where: short stacking energy: -256.883
Base-Backbone interact. energy: -1.566
local terms energy: -283.563525
where:
bonds (distance) C4'-P energy: -56.380
bonds (distance) P-C4' energy: -61.499
flat angles C4'-P-C4' energy: -54.247
flat angles P-C4'-P energy: -40.095
tors. eta vs tors. theta energy: -71.342
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: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -854.932257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.932257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.932257 (E_RNA)
where:
Base-Base interactions energy: -589.986
where: short stacking energy: -255.243
Base-Backbone interact. energy: 0.073
local terms energy: -265.018610
where:
bonds (distance) C4'-P energy: -53.290
bonds (distance) P-C4' energy: -48.020
flat angles C4'-P-C4' energy: -53.295
flat angles P-C4'-P energy: -36.756
tors. eta vs tors. theta energy: -73.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -832.428082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.428082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.428082 (E_RNA)
where:
Base-Base interactions energy: -577.305
where: short stacking energy: -237.848
Base-Backbone interact. energy: -1.541
local terms energy: -253.582105
where:
bonds (distance) C4'-P energy: -48.565
bonds (distance) P-C4' energy: -46.917
flat angles C4'-P-C4' energy: -59.864
flat angles P-C4'-P energy: -34.575
tors. eta vs tors. theta energy: -63.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -739.134367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.134367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.134367 (E_RNA)
where:
Base-Base interactions energy: -504.266
where: short stacking energy: -211.736
Base-Backbone interact. energy: 2.109
local terms energy: -236.977372
where:
bonds (distance) C4'-P energy: -43.288
bonds (distance) P-C4' energy: -50.742
flat angles C4'-P-C4' energy: -49.122
flat angles P-C4'-P energy: -42.243
tors. eta vs tors. theta energy: -51.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -700.908994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.908994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.908994 (E_RNA)
where:
Base-Base interactions energy: -487.270
where: short stacking energy: -198.981
Base-Backbone interact. energy: 4.730
local terms energy: -218.369726
where:
bonds (distance) C4'-P energy: -45.766
bonds (distance) P-C4' energy: -42.671
flat angles C4'-P-C4' energy: -49.276
flat angles P-C4'-P energy: -33.594
tors. eta vs tors. theta energy: -47.062
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: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -675.484068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.484068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.484068 (E_RNA)
where:
Base-Base interactions energy: -445.574
where: short stacking energy: -196.775
Base-Backbone interact. energy: -0.554
local terms energy: -229.355559
where:
bonds (distance) C4'-P energy: -51.594
bonds (distance) P-C4' energy: -57.622
flat angles C4'-P-C4' energy: -41.294
flat angles P-C4'-P energy: -35.075
tors. eta vs tors. theta energy: -43.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -587.607258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.607258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.607258 (E_RNA)
where:
Base-Base interactions energy: -388.861
where: short stacking energy: -174.442
Base-Backbone interact. energy: 0.307
local terms energy: -199.053365
where:
bonds (distance) C4'-P energy: -39.485
bonds (distance) P-C4' energy: -51.203
flat angles C4'-P-C4' energy: -40.507
flat angles P-C4'-P energy: -24.271
tors. eta vs tors. theta energy: -43.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -522.067874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.067874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.067874 (E_RNA)
where:
Base-Base interactions energy: -358.550
where: short stacking energy: -148.876
Base-Backbone interact. energy: 0.119
local terms energy: -163.637260
where:
bonds (distance) C4'-P energy: -33.817
bonds (distance) P-C4' energy: -44.178
flat angles C4'-P-C4' energy: -39.480
flat angles P-C4'-P energy: -17.084
tors. eta vs tors. theta energy: -29.079
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: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -953.789767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.789767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.789767 (E_RNA)
where:
Base-Base interactions energy: -669.386
where: short stacking energy: -264.767
Base-Backbone interact. energy: -0.196
local terms energy: -284.207952
where:
bonds (distance) C4'-P energy: -58.331
bonds (distance) P-C4' energy: -49.414
flat angles C4'-P-C4' energy: -62.090
flat angles P-C4'-P energy: -36.415
tors. eta vs tors. theta energy: -77.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -945.008601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.008601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.008601 (E_RNA)
where:
Base-Base interactions energy: -642.752
where: short stacking energy: -272.827
Base-Backbone interact. energy: -1.615
local terms energy: -300.641118
where:
bonds (distance) C4'-P energy: -53.907
bonds (distance) P-C4' energy: -58.113
flat angles C4'-P-C4' energy: -64.069
flat angles P-C4'-P energy: -39.013
tors. eta vs tors. theta energy: -85.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -927.847757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.847757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.847757 (E_RNA)
where:
Base-Base interactions energy: -646.849
where: short stacking energy: -275.541
Base-Backbone interact. energy: -2.794
local terms energy: -278.204884
where:
bonds (distance) C4'-P energy: -50.712
bonds (distance) P-C4' energy: -43.809
flat angles C4'-P-C4' energy: -67.504
flat angles P-C4'-P energy: -39.871
tors. eta vs tors. theta energy: -76.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -860.626497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.626497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.626497 (E_RNA)
where:
Base-Base interactions energy: -597.553
where: short stacking energy: -240.692
Base-Backbone interact. energy: -1.318
local terms energy: -261.756368
where:
bonds (distance) C4'-P energy: -47.642
bonds (distance) P-C4' energy: -55.683
flat angles C4'-P-C4' energy: -50.036
flat angles P-C4'-P energy: -40.464
tors. eta vs tors. theta energy: -67.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -787.868650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.868650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.868650 (E_RNA)
where:
Base-Base interactions energy: -533.168
where: short stacking energy: -222.876
Base-Backbone interact. energy: -0.928
local terms energy: -253.772525
where:
bonds (distance) C4'-P energy: -50.213
bonds (distance) P-C4' energy: -52.183
flat angles C4'-P-C4' energy: -54.631
flat angles P-C4'-P energy: -43.768
tors. eta vs tors. theta energy: -52.978
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: 2
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -730.894319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.894319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.894319 (E_RNA)
where:
Base-Base interactions energy: -511.363
where: short stacking energy: -209.366
Base-Backbone interact. energy: -1.292
local terms energy: -218.238582
where:
bonds (distance) C4'-P energy: -48.817
bonds (distance) P-C4' energy: -45.760
flat angles C4'-P-C4' energy: -50.516
flat angles P-C4'-P energy: -23.705
tors. eta vs tors. theta energy: -49.441
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: 286
Temperature: 1.200000
Total energy: -697.263522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.263522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.263522 (E_RNA)
where:
Base-Base interactions energy: -487.029
where: short stacking energy: -195.464
Base-Backbone interact. energy: -2.349
local terms energy: -207.885042
where:
bonds (distance) C4'-P energy: -50.050
bonds (distance) P-C4' energy: -32.343
flat angles C4'-P-C4' energy: -48.566
flat angles P-C4'-P energy: -36.230
tors. eta vs tors. theta energy: -40.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -619.884831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.884831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.884831 (E_RNA)
where:
Base-Base interactions energy: -393.440
where: short stacking energy: -176.143
Base-Backbone interact. energy: -0.316
local terms energy: -226.129223
where:
bonds (distance) C4'-P energy: -50.379
bonds (distance) P-C4' energy: -47.436
flat angles C4'-P-C4' energy: -53.187
flat angles P-C4'-P energy: -33.855
tors. eta vs tors. theta energy: -41.272
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: 8
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -578.089387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.089387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.089387 (E_RNA)
where:
Base-Base interactions energy: -390.412
where: short stacking energy: -165.992
Base-Backbone interact. energy: -0.304
local terms energy: -187.373393
where:
bonds (distance) C4'-P energy: -33.979
bonds (distance) P-C4' energy: -51.362
flat angles C4'-P-C4' energy: -50.036
flat angles P-C4'-P energy: -29.149
tors. eta vs tors. theta energy: -22.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -532.477484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.477484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.477484 (E_RNA)
where:
Base-Base interactions energy: -368.003
where: short stacking energy: -145.924
Base-Backbone interact. energy: 0.422
local terms energy: -164.896174
where:
bonds (distance) C4'-P energy: -48.321
bonds (distance) P-C4' energy: -38.439
flat angles C4'-P-C4' energy: -34.223
flat angles P-C4'-P energy: -30.584
tors. eta vs tors. theta energy: -13.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -960.951447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.951447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.951447 (E_RNA)
where:
Base-Base interactions energy: -685.947
where: short stacking energy: -270.807
Base-Backbone interact. energy: -0.755
local terms energy: -274.249782
where:
bonds (distance) C4'-P energy: -47.231
bonds (distance) P-C4' energy: -54.034
flat angles C4'-P-C4' energy: -62.644
flat angles P-C4'-P energy: -33.404
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: 2, replica: 10
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -951.079144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.079144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.079144 (E_RNA)
where:
Base-Base interactions energy: -675.462
where: short stacking energy: -280.373
Base-Backbone interact. energy: -0.458
local terms energy: -275.159515
where:
bonds (distance) C4'-P energy: -47.219
bonds (distance) P-C4' energy: -52.507
flat angles C4'-P-C4' energy: -62.548
flat angles P-C4'-P energy: -38.174
tors. eta vs tors. theta energy: -74.711
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: 6
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -939.249165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.249165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.249165 (E_RNA)
where:
Base-Base interactions energy: -651.782
where: short stacking energy: -266.084
Base-Backbone interact. energy: 0.906
local terms energy: -288.373176
where:
bonds (distance) C4'-P energy: -53.277
bonds (distance) P-C4' energy: -59.848
flat angles C4'-P-C4' energy: -55.246
flat angles P-C4'-P energy: -36.858
tors. eta vs tors. theta energy: -83.144
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: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -860.568808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.568808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.568808 (E_RNA)
where:
Base-Base interactions energy: -595.663
where: short stacking energy: -234.971
Base-Backbone interact. energy: -0.709
local terms energy: -264.196602
where:
bonds (distance) C4'-P energy: -56.443
bonds (distance) P-C4' energy: -48.475
flat angles C4'-P-C4' energy: -59.834
flat angles P-C4'-P energy: -39.532
tors. eta vs tors. theta energy: -59.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -792.487467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.487467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.487467 (E_RNA)
where:
Base-Base interactions energy: -543.620
where: short stacking energy: -233.574
Base-Backbone interact. energy: -3.667
local terms energy: -245.200093
where:
bonds (distance) C4'-P energy: -45.506
bonds (distance) P-C4' energy: -49.757
flat angles C4'-P-C4' energy: -53.307
flat angles P-C4'-P energy: -40.065
tors. eta vs tors. theta energy: -56.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -734.680377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.680377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.680377 (E_RNA)
where:
Base-Base interactions energy: -499.357
where: short stacking energy: -216.090
Base-Backbone interact. energy: -0.335
local terms energy: -234.988817
where:
bonds (distance) C4'-P energy: -51.363
bonds (distance) P-C4' energy: -41.721
flat angles C4'-P-C4' energy: -57.487
flat angles P-C4'-P energy: -31.372
tors. eta vs tors. theta energy: -53.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -672.635758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.635758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.635758 (E_RNA)
where:
Base-Base interactions energy: -449.834
where: short stacking energy: -190.092
Base-Backbone interact. energy: 1.594
local terms energy: -224.395690
where:
bonds (distance) C4'-P energy: -46.453
bonds (distance) P-C4' energy: -45.680
flat angles C4'-P-C4' energy: -50.090
flat angles P-C4'-P energy: -34.570
tors. eta vs tors. theta energy: -47.603
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: 8, replica: 9
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -647.023481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.023481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.023481 (E_RNA)
where:
Base-Base interactions energy: -418.281
where: short stacking energy: -169.971
Base-Backbone interact. energy: -0.494
local terms energy: -228.248211
where:
bonds (distance) C4'-P energy: -52.061
bonds (distance) P-C4' energy: -52.367
flat angles C4'-P-C4' energy: -47.680
flat angles P-C4'-P energy: -39.270
tors. eta vs tors. theta energy: -36.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -552.712427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.712427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.712427 (E_RNA)
where:
Base-Base interactions energy: -366.752
where: short stacking energy: -142.112
Base-Backbone interact. energy: 1.561
local terms energy: -187.522002
where:
bonds (distance) C4'-P energy: -48.358
bonds (distance) P-C4' energy: -42.413
flat angles C4'-P-C4' energy: -41.867
flat angles P-C4'-P energy: -28.154
tors. eta vs tors. theta energy: -26.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -544.015768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.015768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.015768 (E_RNA)
where:
Base-Base interactions energy: -352.946
where: short stacking energy: -144.330
Base-Backbone interact. energy: -1.523
local terms energy: -189.546805
where:
bonds (distance) C4'-P energy: -39.224
bonds (distance) P-C4' energy: -43.194
flat angles C4'-P-C4' energy: -44.565
flat angles P-C4'-P energy: -34.041
tors. eta vs tors. theta energy: -28.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -959.269248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.269248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.269248 (E_RNA)
where:
Base-Base interactions energy: -669.668
where: short stacking energy: -271.502
Base-Backbone interact. energy: -2.678
local terms energy: -286.923098
where:
bonds (distance) C4'-P energy: -51.751
bonds (distance) P-C4' energy: -58.039
flat angles C4'-P-C4' energy: -64.181
flat angles P-C4'-P energy: -38.543
tors. eta vs tors. theta energy: -74.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -947.452478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.452478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.452478 (E_RNA)
where:
Base-Base interactions energy: -675.613
where: short stacking energy: -274.967
Base-Backbone interact. energy: -2.557
local terms energy: -269.282645
where:
bonds (distance) C4'-P energy: -49.587
bonds (distance) P-C4' energy: -51.372
flat angles C4'-P-C4' energy: -56.992
flat angles P-C4'-P energy: -31.481
tors. eta vs tors. theta energy: -79.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -912.572747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.572747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.572747 (E_RNA)
where:
Base-Base interactions energy: -641.647
where: short stacking energy: -264.100
Base-Backbone interact. energy: -2.381
local terms energy: -268.544818
where:
bonds (distance) C4'-P energy: -54.477
bonds (distance) P-C4' energy: -42.704
flat angles C4'-P-C4' energy: -57.282
flat angles P-C4'-P energy: -36.031
tors. eta vs tors. theta energy: -78.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -862.347933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.347933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.347933 (E_RNA)
where:
Base-Base interactions energy: -604.234
where: short stacking energy: -253.068
Base-Backbone interact. energy: -1.325
local terms energy: -256.789277
where:
bonds (distance) C4'-P energy: -50.202
bonds (distance) P-C4' energy: -44.073
flat angles C4'-P-C4' energy: -58.519
flat angles P-C4'-P energy: -34.548
tors. eta vs tors. theta energy: -69.447
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: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -793.682240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.682240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.682240 (E_RNA)
where:
Base-Base interactions energy: -557.994
where: short stacking energy: -227.010
Base-Backbone interact. energy: -1.441
local terms energy: -234.247565
where:
bonds (distance) C4'-P energy: -54.579
bonds (distance) P-C4' energy: -46.975
flat angles C4'-P-C4' energy: -50.328
flat angles P-C4'-P energy: -29.134
tors. eta vs tors. theta energy: -53.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -774.297413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.297413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.297413 (E_RNA)
where:
Base-Base interactions energy: -505.877
where: short stacking energy: -211.175
Base-Backbone interact. energy: -1.282
local terms energy: -267.138356
where:
bonds (distance) C4'-P energy: -60.705
bonds (distance) P-C4' energy: -53.465
flat angles C4'-P-C4' energy: -53.849
flat angles P-C4'-P energy: -35.206
tors. eta vs tors. theta energy: -63.913
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: 7
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -669.033284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.033284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.033284 (E_RNA)
where:
Base-Base interactions energy: -451.495
where: short stacking energy: -187.165
Base-Backbone interact. energy: -0.758
local terms energy: -216.780122
where:
bonds (distance) C4'-P energy: -46.868
bonds (distance) P-C4' energy: -50.308
flat angles C4'-P-C4' energy: -43.231
flat angles P-C4'-P energy: -25.923
tors. eta vs tors. theta energy: -50.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -643.050316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.050316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.050316 (E_RNA)
where:
Base-Base interactions energy: -442.815
where: short stacking energy: -193.395
Base-Backbone interact. energy: -0.070
local terms energy: -200.164706
where:
bonds (distance) C4'-P energy: -38.204
bonds (distance) P-C4' energy: -46.195
flat angles C4'-P-C4' energy: -46.107
flat angles P-C4'-P energy: -32.688
tors. eta vs tors. theta energy: -36.971
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: 3
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -549.619840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.619840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.619840 (E_RNA)
where:
Base-Base interactions energy: -379.409
where: short stacking energy: -164.691
Base-Backbone interact. energy: -2.368
local terms energy: -167.843506
where:
bonds (distance) C4'-P energy: -45.004
bonds (distance) P-C4' energy: -42.699
flat angles C4'-P-C4' energy: -39.848
flat angles P-C4'-P energy: -20.467
tors. eta vs tors. theta energy: -19.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -535.360279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.360279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.360279 (E_RNA)
where:
Base-Base interactions energy: -314.026
where: short stacking energy: -128.183
Base-Backbone interact. energy: 1.733
local terms energy: -223.067539
where:
bonds (distance) C4'-P energy: -58.092
bonds (distance) P-C4' energy: -51.592
flat angles C4'-P-C4' energy: -45.130
flat angles P-C4'-P energy: -33.790
tors. eta vs tors. theta energy: -34.464
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: 289
Temperature: 0.900000
Total energy: -944.503040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.503040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.503040 (E_RNA)
where:
Base-Base interactions energy: -653.409
where: short stacking energy: -256.553
Base-Backbone interact. energy: -1.558
local terms energy: -289.536199
where:
bonds (distance) C4'-P energy: -51.617
bonds (distance) P-C4' energy: -61.772
flat angles C4'-P-C4' energy: -61.845
flat angles P-C4'-P energy: -41.943
tors. eta vs tors. theta energy: -72.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -920.547503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.547503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.547503 (E_RNA)
where:
Base-Base interactions energy: -642.667
where: short stacking energy: -248.726
Base-Backbone interact. energy: -1.549
local terms energy: -276.331063
where:
bonds (distance) C4'-P energy: -49.700
bonds (distance) P-C4' energy: -54.878
flat angles C4'-P-C4' energy: -59.836
flat angles P-C4'-P energy: -41.363
tors. eta vs tors. theta energy: -70.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -922.655307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.655307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.655307 (E_RNA)
where:
Base-Base interactions energy: -633.296
where: short stacking energy: -277.212
Base-Backbone interact. energy: -0.372
local terms energy: -288.987475
where:
bonds (distance) C4'-P energy: -54.220
bonds (distance) P-C4' energy: -57.473
flat angles C4'-P-C4' energy: -54.219
flat angles P-C4'-P energy: -39.307
tors. eta vs tors. theta energy: -83.769
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: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -840.055027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.055027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.055027 (E_RNA)
where:
Base-Base interactions energy: -579.171
where: short stacking energy: -237.051
Base-Backbone interact. energy: 1.468
local terms energy: -262.351883
where:
bonds (distance) C4'-P energy: -54.200
bonds (distance) P-C4' energy: -49.184
flat angles C4'-P-C4' energy: -61.403
flat angles P-C4'-P energy: -32.865
tors. eta vs tors. theta energy: -64.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -783.694762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.694762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.694762 (E_RNA)
where:
Base-Base interactions energy: -533.281
where: short stacking energy: -215.653
Base-Backbone interact. energy: -3.398
local terms energy: -247.016132
where:
bonds (distance) C4'-P energy: -48.181
bonds (distance) P-C4' energy: -48.763
flat angles C4'-P-C4' energy: -55.019
flat angles P-C4'-P energy: -39.722
tors. eta vs tors. theta energy: -55.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -754.982482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.982482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.982482 (E_RNA)
where:
Base-Base interactions energy: -501.952
where: short stacking energy: -215.800
Base-Backbone interact. energy: 0.099
local terms energy: -253.129457
where:
bonds (distance) C4'-P energy: -55.962
bonds (distance) P-C4' energy: -42.278
flat angles C4'-P-C4' energy: -55.758
flat angles P-C4'-P energy: -36.287
tors. eta vs tors. theta energy: -62.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -666.871659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.871659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.871659 (E_RNA)
where:
Base-Base interactions energy: -454.986
where: short stacking energy: -193.303
Base-Backbone interact. energy: 0.716
local terms energy: -212.601515
where:
bonds (distance) C4'-P energy: -44.392
bonds (distance) P-C4' energy: -56.842
flat angles C4'-P-C4' energy: -45.671
flat angles P-C4'-P energy: -26.715
tors. eta vs tors. theta energy: -38.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -635.074927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.074927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.074927 (E_RNA)
where:
Base-Base interactions energy: -432.113
where: short stacking energy: -185.431
Base-Backbone interact. energy: 0.831
local terms energy: -203.793388
where:
bonds (distance) C4'-P energy: -54.045
bonds (distance) P-C4' energy: -55.492
flat angles C4'-P-C4' energy: -38.030
flat angles P-C4'-P energy: -24.191
tors. eta vs tors. theta energy: -32.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -570.955742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.955742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.955742 (E_RNA)
where:
Base-Base interactions energy: -363.484
where: short stacking energy: -145.936
Base-Backbone interact. energy: -1.238
local terms energy: -206.233283
where:
bonds (distance) C4'-P energy: -43.934
bonds (distance) P-C4' energy: -44.880
flat angles C4'-P-C4' energy: -46.440
flat angles P-C4'-P energy: -40.344
tors. eta vs tors. theta energy: -30.634
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: 8
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -505.741727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.741727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.741727 (E_RNA)
where:
Base-Base interactions energy: -321.273
where: short stacking energy: -138.929
Base-Backbone interact. energy: -0.522
local terms energy: -183.947132
where:
bonds (distance) C4'-P energy: -41.049
bonds (distance) P-C4' energy: -41.422
flat angles C4'-P-C4' energy: -43.299
flat angles P-C4'-P energy: -37.241
tors. eta vs tors. theta energy: -20.936
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: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -962.789944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.789944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.789944 (E_RNA)
where:
Base-Base interactions energy: -676.915
where: short stacking energy: -278.617
Base-Backbone interact. energy: 0.780
local terms energy: -286.654513
where:
bonds (distance) C4'-P energy: -57.730
bonds (distance) P-C4' energy: -47.161
flat angles C4'-P-C4' energy: -57.055
flat angles P-C4'-P energy: -39.667
tors. eta vs tors. theta energy: -85.041
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: 10
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -947.747988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.747988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.747988 (E_RNA)
where:
Base-Base interactions energy: -661.387
where: short stacking energy: -263.437
Base-Backbone interact. energy: -1.632
local terms energy: -284.729092
where:
bonds (distance) C4'-P energy: -51.935
bonds (distance) P-C4' energy: -50.255
flat angles C4'-P-C4' energy: -62.449
flat angles P-C4'-P energy: -44.176
tors. eta vs tors. theta energy: -75.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -906.043627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.043627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.043627 (E_RNA)
where:
Base-Base interactions energy: -632.567
where: short stacking energy: -256.825
Base-Backbone interact. energy: -2.509
local terms energy: -270.967437
where:
bonds (distance) C4'-P energy: -56.783
bonds (distance) P-C4' energy: -47.593
flat angles C4'-P-C4' energy: -53.735
flat angles P-C4'-P energy: -30.737
tors. eta vs tors. theta energy: -82.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -853.431507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.431507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.431507 (E_RNA)
where:
Base-Base interactions energy: -602.444
where: short stacking energy: -264.398
Base-Backbone interact. energy: -0.108
local terms energy: -250.878753
where:
bonds (distance) C4'-P energy: -49.768
bonds (distance) P-C4' energy: -53.979
flat angles C4'-P-C4' energy: -52.791
flat angles P-C4'-P energy: -22.454
tors. eta vs tors. theta energy: -71.887
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: 5, replica: 5
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -816.020691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.020691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.020691 (E_RNA)
where:
Base-Base interactions energy: -563.913
where: short stacking energy: -249.221
Base-Backbone interact. energy: -1.571
local terms energy: -250.536993
where:
bonds (distance) C4'-P energy: -43.753
bonds (distance) P-C4' energy: -50.089
flat angles C4'-P-C4' energy: -60.510
flat angles P-C4'-P energy: -32.830
tors. eta vs tors. theta energy: -63.356
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: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -742.095796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.095796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.095796 (E_RNA)
where:
Base-Base interactions energy: -502.320
where: short stacking energy: -212.711
Base-Backbone interact. energy: 1.978
local terms energy: -241.753590
where:
bonds (distance) C4'-P energy: -46.440
bonds (distance) P-C4' energy: -45.036
flat angles C4'-P-C4' energy: -59.236
flat angles P-C4'-P energy: -36.429
tors. eta vs tors. theta energy: -54.613
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: 9
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -646.792546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.792546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.792546 (E_RNA)
where:
Base-Base interactions energy: -435.664
where: short stacking energy: -181.490
Base-Backbone interact. energy: 1.278
local terms energy: -212.406816
where:
bonds (distance) C4'-P energy: -48.513
bonds (distance) P-C4' energy: -44.292
flat angles C4'-P-C4' energy: -59.526
flat angles P-C4'-P energy: -25.315
tors. eta vs tors. theta energy: -34.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -682.816967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.816967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.816967 (E_RNA)
where:
Base-Base interactions energy: -448.956
where: short stacking energy: -189.168
Base-Backbone interact. energy: -2.753
local terms energy: -231.107816
where:
bonds (distance) C4'-P energy: -39.895
bonds (distance) P-C4' energy: -43.220
flat angles C4'-P-C4' energy: -61.998
flat angles P-C4'-P energy: -37.658
tors. eta vs tors. theta energy: -48.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -547.021132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.021132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.021132 (E_RNA)
where:
Base-Base interactions energy: -358.874
where: short stacking energy: -143.840
Base-Backbone interact. energy: -0.080
local terms energy: -188.066458
where:
bonds (distance) C4'-P energy: -45.314
bonds (distance) P-C4' energy: -50.078
flat angles C4'-P-C4' energy: -45.160
flat angles P-C4'-P energy: -25.904
tors. eta vs tors. theta energy: -21.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -529.173049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.173049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.173049 (E_RNA)
where:
Base-Base interactions energy: -334.653
where: short stacking energy: -131.973
Base-Backbone interact. energy: -0.245
local terms energy: -194.275370
where:
bonds (distance) C4'-P energy: -38.826
bonds (distance) P-C4' energy: -44.795
flat angles C4'-P-C4' energy: -51.701
flat angles P-C4'-P energy: -38.486
tors. eta vs tors. theta energy: -20.468
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: 291
Temperature: 0.900000
Total energy: -969.763909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.763909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.763909 (E_RNA)
where:
Base-Base interactions energy: -684.911
where: short stacking energy: -284.965
Base-Backbone interact. energy: -2.073
local terms energy: -282.779649
where:
bonds (distance) C4'-P energy: -50.796
bonds (distance) P-C4' energy: -51.357
flat angles C4'-P-C4' energy: -61.400
flat angles P-C4'-P energy: -39.983
tors. eta vs tors. theta energy: -79.243
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: 10
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -908.285350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.285350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.285350 (E_RNA)
where:
Base-Base interactions energy: -643.767
where: short stacking energy: -264.680
Base-Backbone interact. energy: -1.553
local terms energy: -262.965125
where:
bonds (distance) C4'-P energy: -44.919
bonds (distance) P-C4' energy: -54.128
flat angles C4'-P-C4' energy: -57.339
flat angles P-C4'-P energy: -37.876
tors. eta vs tors. theta energy: -68.703
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: 6
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -922.733706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.733706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.733706 (E_RNA)
where:
Base-Base interactions energy: -645.013
where: short stacking energy: -259.014
Base-Backbone interact. energy: 0.521
local terms energy: -278.241654
where:
bonds (distance) C4'-P energy: -44.689
bonds (distance) P-C4' energy: -51.142
flat angles C4'-P-C4' energy: -61.772
flat angles P-C4'-P energy: -43.713
tors. eta vs tors. theta energy: -76.926
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: 291
Temperature: 1.050000
Total energy: -862.440463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.440463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.440463 (E_RNA)
where:
Base-Base interactions energy: -594.334
where: short stacking energy: -250.958
Base-Backbone interact. energy: -2.076
local terms energy: -266.030091
where:
bonds (distance) C4'-P energy: -47.774
bonds (distance) P-C4' energy: -50.966
flat angles C4'-P-C4' energy: -55.247
flat angles P-C4'-P energy: -42.114
tors. eta vs tors. theta energy: -69.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -832.772235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.772235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.772235 (E_RNA)
where:
Base-Base interactions energy: -589.101
where: short stacking energy: -242.205
Base-Backbone interact. energy: -1.224
local terms energy: -242.447276
where:
bonds (distance) C4'-P energy: -40.625
bonds (distance) P-C4' energy: -44.163
flat angles C4'-P-C4' energy: -52.818
flat angles P-C4'-P energy: -38.775
tors. eta vs tors. theta energy: -66.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -777.056195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.056195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.056195 (E_RNA)
where:
Base-Base interactions energy: -543.375
where: short stacking energy: -233.037
Base-Backbone interact. energy: 0.704
local terms energy: -234.385381
where:
bonds (distance) C4'-P energy: -47.816
bonds (distance) P-C4' energy: -46.763
flat angles C4'-P-C4' energy: -43.543
flat angles P-C4'-P energy: -34.598
tors. eta vs tors. theta energy: -61.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -677.715254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.715254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.715254 (E_RNA)
where:
Base-Base interactions energy: -451.129
where: short stacking energy: -195.315
Base-Backbone interact. energy: -0.375
local terms energy: -226.211674
where:
bonds (distance) C4'-P energy: -46.231
bonds (distance) P-C4' energy: -39.311
flat angles C4'-P-C4' energy: -54.431
flat angles P-C4'-P energy: -33.971
tors. eta vs tors. theta energy: -52.267
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: 291
Temperature: 1.250000
Total energy: -654.560064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.560064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.560064 (E_RNA)
where:
Base-Base interactions energy: -440.303
where: short stacking energy: -184.068
Base-Backbone interact. energy: -2.018
local terms energy: -212.239725
where:
bonds (distance) C4'-P energy: -52.077
bonds (distance) P-C4' energy: -32.862
flat angles C4'-P-C4' energy: -48.076
flat angles P-C4'-P energy: -30.355
tors. eta vs tors. theta energy: -48.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -568.209477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.209477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.209477 (E_RNA)
where:
Base-Base interactions energy: -387.198
where: short stacking energy: -163.043
Base-Backbone interact. energy: -1.226
local terms energy: -179.784897
where:
bonds (distance) C4'-P energy: -43.950
bonds (distance) P-C4' energy: -28.476
flat angles C4'-P-C4' energy: -45.022
flat angles P-C4'-P energy: -28.190
tors. eta vs tors. theta energy: -34.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -520.769783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.769783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.769783 (E_RNA)
where:
Base-Base interactions energy: -334.913
where: short stacking energy: -142.816
Base-Backbone interact. energy: 0.300
local terms energy: -186.156639
where:
bonds (distance) C4'-P energy: -34.451
bonds (distance) P-C4' energy: -42.722
flat angles C4'-P-C4' energy: -49.470
flat angles P-C4'-P energy: -30.513
tors. eta vs tors. theta energy: -29.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -965.629055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.629055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.629055 (E_RNA)
where:
Base-Base interactions energy: -682.800
where: short stacking energy: -280.712
Base-Backbone interact. energy: -0.705
local terms energy: -282.123522
where:
bonds (distance) C4'-P energy: -43.991
bonds (distance) P-C4' energy: -51.164
flat angles C4'-P-C4' energy: -66.080
flat angles P-C4'-P energy: -39.994
tors. eta vs tors. theta energy: -80.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -921.534602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.534602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.534602 (E_RNA)
where:
Base-Base interactions energy: -649.983
where: short stacking energy: -261.877
Base-Backbone interact. energy: -0.912
local terms energy: -270.640079
where:
bonds (distance) C4'-P energy: -58.532
bonds (distance) P-C4' energy: -49.810
flat angles C4'-P-C4' energy: -55.432
flat angles P-C4'-P energy: -38.273
tors. eta vs tors. theta energy: -68.593
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: 6
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -910.446188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.446188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.446188 (E_RNA)
where:
Base-Base interactions energy: -634.740
where: short stacking energy: -246.646
Base-Backbone interact. energy: -1.606
local terms energy: -274.100573
where:
bonds (distance) C4'-P energy: -50.077
bonds (distance) P-C4' energy: -42.865
flat angles C4'-P-C4' energy: -64.989
flat angles P-C4'-P energy: -44.436
tors. eta vs tors. theta energy: -71.734
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: 292
Temperature: 1.050000
Total energy: -855.556227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.556227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.556227 (E_RNA)
where:
Base-Base interactions energy: -604.217
where: short stacking energy: -231.597
Base-Backbone interact. energy: -1.093
local terms energy: -250.246324
where:
bonds (distance) C4'-P energy: -37.187
bonds (distance) P-C4' energy: -48.554
flat angles C4'-P-C4' energy: -54.914
flat angles P-C4'-P energy: -41.069
tors. eta vs tors. theta energy: -68.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -813.730109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.730109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.730109 (E_RNA)
where:
Base-Base interactions energy: -557.414
where: short stacking energy: -216.500
Base-Backbone interact. energy: -0.753
local terms energy: -255.563584
where:
bonds (distance) C4'-P energy: -45.691
bonds (distance) P-C4' energy: -50.807
flat angles C4'-P-C4' energy: -52.689
flat angles P-C4'-P energy: -40.316
tors. eta vs tors. theta energy: -66.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -792.033242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.033242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.033242 (E_RNA)
where:
Base-Base interactions energy: -535.858
where: short stacking energy: -234.279
Base-Backbone interact. energy: -1.408
local terms energy: -254.767446
where:
bonds (distance) C4'-P energy: -49.828
bonds (distance) P-C4' energy: -48.252
flat angles C4'-P-C4' energy: -58.790
flat angles P-C4'-P energy: -38.211
tors. eta vs tors. theta energy: -59.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -681.258541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.258541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.258541 (E_RNA)
where:
Base-Base interactions energy: -448.061
where: short stacking energy: -211.108
Base-Backbone interact. energy: -0.747
local terms energy: -232.450493
where:
bonds (distance) C4'-P energy: -43.615
bonds (distance) P-C4' energy: -52.811
flat angles C4'-P-C4' energy: -52.996
flat angles P-C4'-P energy: -26.862
tors. eta vs tors. theta energy: -56.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -633.517725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.517725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.517725 (E_RNA)
where:
Base-Base interactions energy: -451.441
where: short stacking energy: -193.397
Base-Backbone interact. energy: -1.124
local terms energy: -180.952719
where:
bonds (distance) C4'-P energy: -33.370
bonds (distance) P-C4' energy: -43.435
flat angles C4'-P-C4' energy: -38.641
flat angles P-C4'-P energy: -27.786
tors. eta vs tors. theta energy: -37.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -582.037903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.037903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.037903 (E_RNA)
where:
Base-Base interactions energy: -393.573
where: short stacking energy: -163.788
Base-Backbone interact. energy: -1.858
local terms energy: -186.607869
where:
bonds (distance) C4'-P energy: -27.845
bonds (distance) P-C4' energy: -58.801
flat angles C4'-P-C4' energy: -38.045
flat angles P-C4'-P energy: -28.313
tors. eta vs tors. theta energy: -33.604
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: 3
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -496.912966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.912966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.912966 (E_RNA)
where:
Base-Base interactions energy: -322.073
where: short stacking energy: -155.411
Base-Backbone interact. energy: -0.085
local terms energy: -174.755036
where:
bonds (distance) C4'-P energy: -35.732
bonds (distance) P-C4' energy: -33.315
flat angles C4'-P-C4' energy: -46.165
flat angles P-C4'-P energy: -27.464
tors. eta vs tors. theta energy: -32.079
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: 1
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -963.154291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.154291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.154291 (E_RNA)
where:
Base-Base interactions energy: -670.257
where: short stacking energy: -267.931
Base-Backbone interact. energy: -2.576
local terms energy: -290.321673
where:
bonds (distance) C4'-P energy: -52.099
bonds (distance) P-C4' energy: -51.652
flat angles C4'-P-C4' energy: -65.099
flat angles P-C4'-P energy: -42.521
tors. eta vs tors. theta energy: -78.951
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: 10
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -926.135209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.135209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.135209 (E_RNA)
where:
Base-Base interactions energy: -642.028
where: short stacking energy: -277.926
Base-Backbone interact. energy: -2.257
local terms energy: -281.850611
where:
bonds (distance) C4'-P energy: -57.832
bonds (distance) P-C4' energy: -54.551
flat angles C4'-P-C4' energy: -59.552
flat angles P-C4'-P energy: -36.640
tors. eta vs tors. theta energy: -73.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -888.113428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.113428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.113428 (E_RNA)
where:
Base-Base interactions energy: -609.757
where: short stacking energy: -244.470
Base-Backbone interact. energy: -2.473
local terms energy: -275.883469
where:
bonds (distance) C4'-P energy: -49.789
bonds (distance) P-C4' energy: -62.957
flat angles C4'-P-C4' energy: -57.173
flat angles P-C4'-P energy: -36.586
tors. eta vs tors. theta energy: -69.378
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: 5
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -832.369686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.369686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.369686 (E_RNA)
where:
Base-Base interactions energy: -566.774
where: short stacking energy: -227.651
Base-Backbone interact. energy: 1.179
local terms energy: -266.774631
where:
bonds (distance) C4'-P energy: -54.630
bonds (distance) P-C4' energy: -60.117
flat angles C4'-P-C4' energy: -53.878
flat angles P-C4'-P energy: -32.962
tors. eta vs tors. theta energy: -65.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -787.361356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.361356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.361356 (E_RNA)
where:
Base-Base interactions energy: -557.181
where: short stacking energy: -214.151
Base-Backbone interact. energy: 2.252
local terms energy: -232.432401
where:
bonds (distance) C4'-P energy: -52.855
bonds (distance) P-C4' energy: -43.006
flat angles C4'-P-C4' energy: -49.548
flat angles P-C4'-P energy: -30.014
tors. eta vs tors. theta energy: -57.009
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: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -769.166132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.166132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.166132 (E_RNA)
where:
Base-Base interactions energy: -520.055
where: short stacking energy: -214.116
Base-Backbone interact. energy: 3.750
local terms energy: -252.860808
where:
bonds (distance) C4'-P energy: -47.007
bonds (distance) P-C4' energy: -48.616
flat angles C4'-P-C4' energy: -55.115
flat angles P-C4'-P energy: -43.280
tors. eta vs tors. theta energy: -58.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -684.218335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.218335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.218335 (E_RNA)
where:
Base-Base interactions energy: -466.803
where: short stacking energy: -210.173
Base-Backbone interact. energy: -1.163
local terms energy: -216.252771
where:
bonds (distance) C4'-P energy: -46.337
bonds (distance) P-C4' energy: -45.005
flat angles C4'-P-C4' energy: -44.992
flat angles P-C4'-P energy: -33.238
tors. eta vs tors. theta energy: -46.681
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: 8, replica: 9
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -655.159247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.159247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.159247 (E_RNA)
where:
Base-Base interactions energy: -432.912
where: short stacking energy: -178.614
Base-Backbone interact. energy: -0.811
local terms energy: -221.435524
where:
bonds (distance) C4'-P energy: -46.401
bonds (distance) P-C4' energy: -44.391
flat angles C4'-P-C4' energy: -53.049
flat angles P-C4'-P energy: -37.830
tors. eta vs tors. theta energy: -39.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -644.619125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.619125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.619125 (E_RNA)
where:
Base-Base interactions energy: -449.684
where: short stacking energy: -187.932
Base-Backbone interact. energy: 2.863
local terms energy: -197.798168
where:
bonds (distance) C4'-P energy: -37.255
bonds (distance) P-C4' energy: -45.290
flat angles C4'-P-C4' energy: -44.622
flat angles P-C4'-P energy: -30.875
tors. eta vs tors. theta energy: -39.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -497.571843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.571843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.571843 (E_RNA)
where:
Base-Base interactions energy: -300.431
where: short stacking energy: -142.980
Base-Backbone interact. energy: -0.487
local terms energy: -196.653910
where:
bonds (distance) C4'-P energy: -40.819
bonds (distance) P-C4' energy: -49.555
flat angles C4'-P-C4' energy: -58.978
flat angles P-C4'-P energy: -30.416
tors. eta vs tors. theta energy: -16.886
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: 10
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -929.181807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.181807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.181807 (E_RNA)
where:
Base-Base interactions energy: -632.901
where: short stacking energy: -283.125
Base-Backbone interact. energy: -2.334
local terms energy: -293.946831
where:
bonds (distance) C4'-P energy: -58.872
bonds (distance) P-C4' energy: -55.451
flat angles C4'-P-C4' energy: -59.790
flat angles P-C4'-P energy: -43.096
tors. eta vs tors. theta energy: -76.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -942.959395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.959395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.959395 (E_RNA)
where:
Base-Base interactions energy: -689.607
where: short stacking energy: -286.854
Base-Backbone interact. energy: 3.043
local terms energy: -256.394560
where:
bonds (distance) C4'-P energy: -52.336
bonds (distance) P-C4' energy: -46.062
flat angles C4'-P-C4' energy: -57.495
flat angles P-C4'-P energy: -32.862
tors. eta vs tors. theta energy: -67.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -907.167357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.167357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.167357 (E_RNA)
where:
Base-Base interactions energy: -636.592
where: short stacking energy: -260.463
Base-Backbone interact. energy: -1.811
local terms energy: -268.765020
where:
bonds (distance) C4'-P energy: -39.962
bonds (distance) P-C4' energy: -58.329
flat angles C4'-P-C4' energy: -57.412
flat angles P-C4'-P energy: -37.263
tors. eta vs tors. theta energy: -75.799
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: 294
Temperature: 1.050000
Total energy: -846.429880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.429880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.429880 (E_RNA)
where:
Base-Base interactions energy: -589.161
where: short stacking energy: -238.762
Base-Backbone interact. energy: 0.019
local terms energy: -257.287803
where:
bonds (distance) C4'-P energy: -43.709
bonds (distance) P-C4' energy: -58.535
flat angles C4'-P-C4' energy: -54.924
flat angles P-C4'-P energy: -37.680
tors. eta vs tors. theta energy: -62.439
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: 2
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -762.322750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.322750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.322750 (E_RNA)
where:
Base-Base interactions energy: -516.450
where: short stacking energy: -203.931
Base-Backbone interact. energy: -0.781
local terms energy: -245.092048
where:
bonds (distance) C4'-P energy: -41.122
bonds (distance) P-C4' energy: -57.329
flat angles C4'-P-C4' energy: -55.856
flat angles P-C4'-P energy: -34.034
tors. eta vs tors. theta energy: -56.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -798.532274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.532274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.532274 (E_RNA)
where:
Base-Base interactions energy: -551.357
where: short stacking energy: -217.189
Base-Backbone interact. energy: 2.886
local terms energy: -250.061548
where:
bonds (distance) C4'-P energy: -54.270
bonds (distance) P-C4' energy: -51.888
flat angles C4'-P-C4' energy: -55.539
flat angles P-C4'-P energy: -32.433
tors. eta vs tors. theta energy: -55.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -654.381458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.381458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.381458 (E_RNA)
where:
Base-Base interactions energy: -419.801
where: short stacking energy: -186.726
Base-Backbone interact. energy: -2.869
local terms energy: -231.710986
where:
bonds (distance) C4'-P energy: -43.424
bonds (distance) P-C4' energy: -58.559
flat angles C4'-P-C4' energy: -45.759
flat angles P-C4'-P energy: -33.395
tors. eta vs tors. theta energy: -50.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -630.685922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.685922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.685922 (E_RNA)
where:
Base-Base interactions energy: -433.268
where: short stacking energy: -174.543
Base-Backbone interact. energy: -1.458
local terms energy: -195.959671
where:
bonds (distance) C4'-P energy: -39.687
bonds (distance) P-C4' energy: -50.776
flat angles C4'-P-C4' energy: -39.358
flat angles P-C4'-P energy: -31.683
tors. eta vs tors. theta energy: -34.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -629.750178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.750178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.750178 (E_RNA)
where:
Base-Base interactions energy: -417.061
where: short stacking energy: -161.959
Base-Backbone interact. energy: -1.874
local terms energy: -210.814690
where:
bonds (distance) C4'-P energy: -40.139
bonds (distance) P-C4' energy: -49.219
flat angles C4'-P-C4' energy: -43.945
flat angles P-C4'-P energy: -38.970
tors. eta vs tors. theta energy: -38.542
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: 3
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -451.276996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.276996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.276996 (E_RNA)
where:
Base-Base interactions energy: -284.966
where: short stacking energy: -121.396
Base-Backbone interact. energy: -1.350
local terms energy: -164.960998
where:
bonds (distance) C4'-P energy: -50.384
bonds (distance) P-C4' energy: -36.817
flat angles C4'-P-C4' energy: -42.000
flat angles P-C4'-P energy: -22.276
tors. eta vs tors. theta energy: -13.483
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: 1, replica: 10
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -933.526051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.526051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.526051 (E_RNA)
where:
Base-Base interactions energy: -652.422
where: short stacking energy: -258.476
Base-Backbone interact. energy: -3.049
local terms energy: -278.055487
where:
bonds (distance) C4'-P energy: -54.469
bonds (distance) P-C4' energy: -48.623
flat angles C4'-P-C4' energy: -62.846
flat angles P-C4'-P energy: -41.555
tors. eta vs tors. theta energy: -70.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -941.939488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.939488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.939488 (E_RNA)
where:
Base-Base interactions energy: -651.627
where: short stacking energy: -249.560
Base-Backbone interact. energy: 2.313
local terms energy: -292.625018
where:
bonds (distance) C4'-P energy: -57.862
bonds (distance) P-C4' energy: -50.608
flat angles C4'-P-C4' energy: -60.307
flat angles P-C4'-P energy: -46.737
tors. eta vs tors. theta energy: -77.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -903.986334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.986334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.986334 (E_RNA)
where:
Base-Base interactions energy: -630.770
where: short stacking energy: -254.847
Base-Backbone interact. energy: -3.645
local terms energy: -269.571302
where:
bonds (distance) C4'-P energy: -50.710
bonds (distance) P-C4' energy: -47.254
flat angles C4'-P-C4' energy: -50.353
flat angles P-C4'-P energy: -43.366
tors. eta vs tors. theta energy: -77.888
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: 4, replica: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -859.042413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.042413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.042413 (E_RNA)
where:
Base-Base interactions energy: -587.376
where: short stacking energy: -237.244
Base-Backbone interact. energy: -0.390
local terms energy: -271.276146
where:
bonds (distance) C4'-P energy: -55.157
bonds (distance) P-C4' energy: -54.656
flat angles C4'-P-C4' energy: -58.304
flat angles P-C4'-P energy: -38.418
tors. eta vs tors. theta energy: -64.740
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: 2
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -776.950470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.950470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.950470 (E_RNA)
where:
Base-Base interactions energy: -520.467
where: short stacking energy: -215.851
Base-Backbone interact. energy: -0.978
local terms energy: -255.505740
where:
bonds (distance) C4'-P energy: -39.680
bonds (distance) P-C4' energy: -58.403
flat angles C4'-P-C4' energy: -61.440
flat angles P-C4'-P energy: -39.038
tors. eta vs tors. theta energy: -56.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -806.458395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.458395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.458395 (E_RNA)
where:
Base-Base interactions energy: -549.697
where: short stacking energy: -237.265
Base-Backbone interact. energy: -1.200
local terms energy: -255.562298
where:
bonds (distance) C4'-P energy: -50.105
bonds (distance) P-C4' energy: -49.821
flat angles C4'-P-C4' energy: -43.265
flat angles P-C4'-P energy: -39.199
tors. eta vs tors. theta energy: -73.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -679.523633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.523633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.523633 (E_RNA)
where:
Base-Base interactions energy: -465.802
where: short stacking energy: -191.575
Base-Backbone interact. energy: -1.659
local terms energy: -212.063287
where:
bonds (distance) C4'-P energy: -35.550
bonds (distance) P-C4' energy: -45.656
flat angles C4'-P-C4' energy: -53.385
flat angles P-C4'-P energy: -27.221
tors. eta vs tors. theta energy: -50.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -679.281477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.281477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.281477 (E_RNA)
where:
Base-Base interactions energy: -462.646
where: short stacking energy: -181.943
Base-Backbone interact. energy: -0.861
local terms energy: -215.774156
where:
bonds (distance) C4'-P energy: -52.738
bonds (distance) P-C4' energy: -50.521
flat angles C4'-P-C4' energy: -51.824
flat angles P-C4'-P energy: -17.462
tors. eta vs tors. theta energy: -43.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -637.422339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.422339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.422339 (E_RNA)
where:
Base-Base interactions energy: -436.315
where: short stacking energy: -185.698
Base-Backbone interact. energy: -1.335
local terms energy: -199.772138
where:
bonds (distance) C4'-P energy: -38.682
bonds (distance) P-C4' energy: -48.946
flat angles C4'-P-C4' energy: -46.631
flat angles P-C4'-P energy: -27.777
tors. eta vs tors. theta energy: -37.737
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: 3
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -467.495893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.495893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.495893 (E_RNA)
where:
Base-Base interactions energy: -292.426
where: short stacking energy: -135.601
Base-Backbone interact. energy: -1.517
local terms energy: -173.553338
where:
bonds (distance) C4'-P energy: -31.076
bonds (distance) P-C4' energy: -49.414
flat angles C4'-P-C4' energy: -41.287
flat angles P-C4'-P energy: -31.633
tors. eta vs tors. theta energy: -20.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -959.619379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.619379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.619379 (E_RNA)
where:
Base-Base interactions energy: -672.983
where: short stacking energy: -265.517
Base-Backbone interact. energy: -2.941
local terms energy: -283.694468
where:
bonds (distance) C4'-P energy: -57.122
bonds (distance) P-C4' energy: -53.468
flat angles C4'-P-C4' energy: -57.945
flat angles P-C4'-P energy: -39.971
tors. eta vs tors. theta energy: -75.189
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: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -922.470614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.470614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.470614 (E_RNA)
where:
Base-Base interactions energy: -644.106
where: short stacking energy: -259.623
Base-Backbone interact. energy: -2.132
local terms energy: -276.231917
where:
bonds (distance) C4'-P energy: -52.280
bonds (distance) P-C4' energy: -54.347
flat angles C4'-P-C4' energy: -54.909
flat angles P-C4'-P energy: -44.866
tors. eta vs tors. theta energy: -69.829
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: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -865.888266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.888266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.888266 (E_RNA)
where:
Base-Base interactions energy: -602.257
where: short stacking energy: -246.879
Base-Backbone interact. energy: -2.234
local terms energy: -261.397296
where:
bonds (distance) C4'-P energy: -46.695
bonds (distance) P-C4' energy: -52.355
flat angles C4'-P-C4' energy: -60.127
flat angles P-C4'-P energy: -38.350
tors. eta vs tors. theta energy: -63.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -889.929724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.929724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.929724 (E_RNA)
where:
Base-Base interactions energy: -626.952
where: short stacking energy: -256.799
Base-Backbone interact. energy: -2.348
local terms energy: -260.629971
where:
bonds (distance) C4'-P energy: -43.841
bonds (distance) P-C4' energy: -46.175
flat angles C4'-P-C4' energy: -56.491
flat angles P-C4'-P energy: -39.784
tors. eta vs tors. theta energy: -74.339
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: 296
Temperature: 1.100000
Total energy: -832.648660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.648660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.648660 (E_RNA)
where:
Base-Base interactions energy: -577.478
where: short stacking energy: -236.804
Base-Backbone interact. energy: -1.475
local terms energy: -253.695283
where:
bonds (distance) C4'-P energy: -42.250
bonds (distance) P-C4' energy: -54.542
flat angles C4'-P-C4' energy: -54.777
flat angles P-C4'-P energy: -33.392
tors. eta vs tors. theta energy: -68.734
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: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -769.552243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.552243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.552243 (E_RNA)
where:
Base-Base interactions energy: -525.490
where: short stacking energy: -225.727
Base-Backbone interact. energy: -1.516
local terms energy: -242.546625
where:
bonds (distance) C4'-P energy: -49.925
bonds (distance) P-C4' energy: -50.021
flat angles C4'-P-C4' energy: -48.317
flat angles P-C4'-P energy: -31.421
tors. eta vs tors. theta energy: -62.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -689.521145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.521145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.521145 (E_RNA)
where:
Base-Base interactions energy: -471.140
where: short stacking energy: -196.359
Base-Backbone interact. energy: -1.156
local terms energy: -217.225303
where:
bonds (distance) C4'-P energy: -46.250
bonds (distance) P-C4' energy: -52.233
flat angles C4'-P-C4' energy: -44.553
flat angles P-C4'-P energy: -33.964
tors. eta vs tors. theta energy: -40.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -637.012820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.012820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.012820 (E_RNA)
where:
Base-Base interactions energy: -423.978
where: short stacking energy: -185.336
Base-Backbone interact. energy: -0.470
local terms energy: -212.564242
where:
bonds (distance) C4'-P energy: -47.046
bonds (distance) P-C4' energy: -39.994
flat angles C4'-P-C4' energy: -43.313
flat angles P-C4'-P energy: -31.489
tors. eta vs tors. theta energy: -50.722
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: 8
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -615.571546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.571546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.571546 (E_RNA)
where:
Base-Base interactions energy: -406.935
where: short stacking energy: -182.310
Base-Backbone interact. energy: 0.581
local terms energy: -209.217729
where:
bonds (distance) C4'-P energy: -42.986
bonds (distance) P-C4' energy: -51.272
flat angles C4'-P-C4' energy: -47.747
flat angles P-C4'-P energy: -29.413
tors. eta vs tors. theta energy: -37.799
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: 10, replica: 3
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -505.677175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.677175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.677175 (E_RNA)
where:
Base-Base interactions energy: -315.054
where: short stacking energy: -138.972
Base-Backbone interact. energy: -1.343
local terms energy: -189.280450
where:
bonds (distance) C4'-P energy: -37.788
bonds (distance) P-C4' energy: -55.073
flat angles C4'-P-C4' energy: -45.541
flat angles P-C4'-P energy: -21.239
tors. eta vs tors. theta energy: -29.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -965.951228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.951228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.951228 (E_RNA)
where:
Base-Base interactions energy: -673.386
where: short stacking energy: -264.564
Base-Backbone interact. energy: -3.388
local terms energy: -289.177331
where:
bonds (distance) C4'-P energy: -56.053
bonds (distance) P-C4' energy: -53.363
flat angles C4'-P-C4' energy: -61.802
flat angles P-C4'-P energy: -41.941
tors. eta vs tors. theta energy: -76.019
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: 2, replica: 5
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -891.866583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.866583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.866583 (E_RNA)
where:
Base-Base interactions energy: -647.122
where: short stacking energy: -255.162
Base-Backbone interact. energy: -1.722
local terms energy: -243.021831
where:
bonds (distance) C4'-P energy: -47.528
bonds (distance) P-C4' energy: -54.158
flat angles C4'-P-C4' energy: -51.052
flat angles P-C4'-P energy: -38.737
tors. eta vs tors. theta energy: -51.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -887.553081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.553081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.553081 (E_RNA)
where:
Base-Base interactions energy: -612.813
where: short stacking energy: -261.516
Base-Backbone interact. energy: -0.279
local terms energy: -274.461114
where:
bonds (distance) C4'-P energy: -50.213
bonds (distance) P-C4' energy: -54.773
flat angles C4'-P-C4' energy: -59.600
flat angles P-C4'-P energy: -38.364
tors. eta vs tors. theta energy: -71.511
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: 6
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -877.270536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.270536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.270536 (E_RNA)
where:
Base-Base interactions energy: -619.461
where: short stacking energy: -255.001
Base-Backbone interact. energy: -2.713
local terms energy: -255.097269
where:
bonds (distance) C4'-P energy: -52.916
bonds (distance) P-C4' energy: -36.986
flat angles C4'-P-C4' energy: -59.108
flat angles P-C4'-P energy: -39.275
tors. eta vs tors. theta energy: -66.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -855.607230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.607230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.607230 (E_RNA)
where:
Base-Base interactions energy: -584.057
where: short stacking energy: -235.383
Base-Backbone interact. energy: -0.967
local terms energy: -270.582943
where:
bonds (distance) C4'-P energy: -54.232
bonds (distance) P-C4' energy: -50.534
flat angles C4'-P-C4' energy: -62.792
flat angles P-C4'-P energy: -40.135
tors. eta vs tors. theta energy: -62.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -725.306590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.306590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.306590 (E_RNA)
where:
Base-Base interactions energy: -483.060
where: short stacking energy: -209.530
Base-Backbone interact. energy: -1.051
local terms energy: -241.194891
where:
bonds (distance) C4'-P energy: -56.329
bonds (distance) P-C4' energy: -44.535
flat angles C4'-P-C4' energy: -51.440
flat angles P-C4'-P energy: -34.589
tors. eta vs tors. theta energy: -54.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -727.250320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.250320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.250320 (E_RNA)
where:
Base-Base interactions energy: -491.461
where: short stacking energy: -215.444
Base-Backbone interact. energy: -0.964
local terms energy: -234.825418
where:
bonds (distance) C4'-P energy: -43.366
bonds (distance) P-C4' energy: -40.119
flat angles C4'-P-C4' energy: -45.233
flat angles P-C4'-P energy: -45.366
tors. eta vs tors. theta energy: -60.741
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: 8, replica: 7
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -660.839184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.839184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.839184 (E_RNA)
where:
Base-Base interactions energy: -445.916
where: short stacking energy: -201.130
Base-Backbone interact. energy: -0.532
local terms energy: -214.390825
where:
bonds (distance) C4'-P energy: -47.689
bonds (distance) P-C4' energy: -45.140
flat angles C4'-P-C4' energy: -49.217
flat angles P-C4'-P energy: -27.682
tors. eta vs tors. theta energy: -44.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -618.013379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.013379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.013379 (E_RNA)
where:
Base-Base interactions energy: -411.462
where: short stacking energy: -168.425
Base-Backbone interact. energy: -0.671
local terms energy: -205.880887
where:
bonds (distance) C4'-P energy: -44.644
bonds (distance) P-C4' energy: -49.262
flat angles C4'-P-C4' energy: -49.105
flat angles P-C4'-P energy: -36.619
tors. eta vs tors. theta energy: -26.251
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: 3
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -482.556544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.556544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.556544 (E_RNA)
where:
Base-Base interactions energy: -307.161
where: short stacking energy: -128.515
Base-Backbone interact. energy: 0.271
local terms energy: -175.667245
where:
bonds (distance) C4'-P energy: -45.933
bonds (distance) P-C4' energy: -50.804
flat angles C4'-P-C4' energy: -37.871
flat angles P-C4'-P energy: -28.388
tors. eta vs tors. theta energy: -12.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -968.796948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.796948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.796948 (E_RNA)
where:
Base-Base interactions energy: -677.910
where: short stacking energy: -281.244
Base-Backbone interact. energy: -3.046
local terms energy: -287.840065
where:
bonds (distance) C4'-P energy: -60.674
bonds (distance) P-C4' energy: -46.581
flat angles C4'-P-C4' energy: -62.777
flat angles P-C4'-P energy: -41.393
tors. eta vs tors. theta energy: -76.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -931.377768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.377768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.377768 (E_RNA)
where:
Base-Base interactions energy: -654.482
where: short stacking energy: -256.823
Base-Backbone interact. energy: -0.812
local terms energy: -276.083817
where:
bonds (distance) C4'-P energy: -59.438
bonds (distance) P-C4' energy: -53.278
flat angles C4'-P-C4' energy: -57.054
flat angles P-C4'-P energy: -34.070
tors. eta vs tors. theta energy: -72.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -876.747321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.747321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.747321 (E_RNA)
where:
Base-Base interactions energy: -613.346
where: short stacking energy: -247.869
Base-Backbone interact. energy: -1.923
local terms energy: -261.478341
where:
bonds (distance) C4'-P energy: -46.466
bonds (distance) P-C4' energy: -43.517
flat angles C4'-P-C4' energy: -58.346
flat angles P-C4'-P energy: -44.703
tors. eta vs tors. theta energy: -68.447
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: 10
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -878.111290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.111290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.111290 (E_RNA)
where:
Base-Base interactions energy: -619.559
where: short stacking energy: -270.658
Base-Backbone interact. energy: -2.854
local terms energy: -255.698782
where:
bonds (distance) C4'-P energy: -46.402
bonds (distance) P-C4' energy: -47.189
flat angles C4'-P-C4' energy: -56.173
flat angles P-C4'-P energy: -33.444
tors. eta vs tors. theta energy: -72.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -863.409625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.409625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.409625 (E_RNA)
where:
Base-Base interactions energy: -608.807
where: short stacking energy: -239.389
Base-Backbone interact. energy: -2.017
local terms energy: -252.585591
where:
bonds (distance) C4'-P energy: -44.546
bonds (distance) P-C4' energy: -53.511
flat angles C4'-P-C4' energy: -56.976
flat angles P-C4'-P energy: -34.996
tors. eta vs tors. theta energy: -62.557
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: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -746.033554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.033554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.033554 (E_RNA)
where:
Base-Base interactions energy: -506.120
where: short stacking energy: -209.936
Base-Backbone interact. energy: -1.876
local terms energy: -238.037289
where:
bonds (distance) C4'-P energy: -38.876
bonds (distance) P-C4' energy: -53.585
flat angles C4'-P-C4' energy: -50.595
flat angles P-C4'-P energy: -32.518
tors. eta vs tors. theta energy: -62.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -730.601896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.601896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.601896 (E_RNA)
where:
Base-Base interactions energy: -482.290
where: short stacking energy: -235.537
Base-Backbone interact. energy: -1.059
local terms energy: -247.253409
where:
bonds (distance) C4'-P energy: -45.488
bonds (distance) P-C4' energy: -48.367
flat angles C4'-P-C4' energy: -50.953
flat angles P-C4'-P energy: -36.534
tors. eta vs tors. theta energy: -65.912
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: 9
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -655.887564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.887564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.887564 (E_RNA)
where:
Base-Base interactions energy: -456.860
where: short stacking energy: -197.497
Base-Backbone interact. energy: -0.632
local terms energy: -198.395669
where:
bonds (distance) C4'-P energy: -37.861
bonds (distance) P-C4' energy: -43.146
flat angles C4'-P-C4' energy: -42.070
flat angles P-C4'-P energy: -29.886
tors. eta vs tors. theta energy: -45.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -607.310868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.310868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.310868 (E_RNA)
where:
Base-Base interactions energy: -407.239
where: short stacking energy: -158.631
Base-Backbone interact. energy: 0.085
local terms energy: -200.157089
where:
bonds (distance) C4'-P energy: -47.200
bonds (distance) P-C4' energy: -43.565
flat angles C4'-P-C4' energy: -37.854
flat angles P-C4'-P energy: -35.935
tors. eta vs tors. theta energy: -35.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -438.870670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.870670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.870670 (E_RNA)
where:
Base-Base interactions energy: -264.341
where: short stacking energy: -110.164
Base-Backbone interact. energy: 0.738
local terms energy: -175.267755
where:
bonds (distance) C4'-P energy: -39.961
bonds (distance) P-C4' energy: -49.218
flat angles C4'-P-C4' energy: -44.926
flat angles P-C4'-P energy: -27.485
tors. eta vs tors. theta energy: -13.678
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: 299
Temperature: 0.900000
Total energy: -975.596831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.596831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.596831 (E_RNA)
where:
Base-Base interactions energy: -672.924
where: short stacking energy: -278.176
Base-Backbone interact. energy: 0.157
local terms energy: -302.829226
where:
bonds (distance) C4'-P energy: -53.644
bonds (distance) P-C4' energy: -58.596
flat angles C4'-P-C4' energy: -63.950
flat angles P-C4'-P energy: -48.469
tors. eta vs tors. theta energy: -78.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -941.319672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.319672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.319672 (E_RNA)
where:
Base-Base interactions energy: -650.153
where: short stacking energy: -266.300
Base-Backbone interact. energy: -0.957
local terms energy: -290.209558
where:
bonds (distance) C4'-P energy: -56.327
bonds (distance) P-C4' energy: -57.407
flat angles C4'-P-C4' energy: -57.943
flat angles P-C4'-P energy: -46.845
tors. eta vs tors. theta energy: -71.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -882.420672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.420672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.420672 (E_RNA)
where:
Base-Base interactions energy: -610.597
where: short stacking energy: -239.302
Base-Backbone interact. energy: -1.565
local terms energy: -270.258562
where:
bonds (distance) C4'-P energy: -41.731
bonds (distance) P-C4' energy: -51.466
flat angles C4'-P-C4' energy: -60.320
flat angles P-C4'-P energy: -43.691
tors. eta vs tors. theta energy: -73.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -903.141454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.141454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.141454 (E_RNA)
where:
Base-Base interactions energy: -628.228
where: short stacking energy: -259.980
Base-Backbone interact. energy: -3.324
local terms energy: -271.589423
where:
bonds (distance) C4'-P energy: -52.803
bonds (distance) P-C4' energy: -50.572
flat angles C4'-P-C4' energy: -57.645
flat angles P-C4'-P energy: -38.429
tors. eta vs tors. theta energy: -72.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -858.364569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.364569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.364569 (E_RNA)
where:
Base-Base interactions energy: -620.316
where: short stacking energy: -247.354
Base-Backbone interact. energy: -0.173
local terms energy: -237.875538
where:
bonds (distance) C4'-P energy: -41.810
bonds (distance) P-C4' energy: -39.899
flat angles C4'-P-C4' energy: -54.354
flat angles P-C4'-P energy: -32.558
tors. eta vs tors. theta energy: -69.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -792.276944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.276944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.276944 (E_RNA)
where:
Base-Base interactions energy: -544.818
where: short stacking energy: -229.913
Base-Backbone interact. energy: -1.056
local terms energy: -246.403145
where:
bonds (distance) C4'-P energy: -44.986
bonds (distance) P-C4' energy: -50.282
flat angles C4'-P-C4' energy: -50.220
flat angles P-C4'-P energy: -33.372
tors. eta vs tors. theta energy: -67.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -681.310995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.310995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.310995 (E_RNA)
where:
Base-Base interactions energy: -455.563
where: short stacking energy: -217.158
Base-Backbone interact. energy: -0.958
local terms energy: -224.790465
where:
bonds (distance) C4'-P energy: -50.379
bonds (distance) P-C4' energy: -41.237
flat angles C4'-P-C4' energy: -58.083
flat angles P-C4'-P energy: -19.957
tors. eta vs tors. theta energy: -55.135
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: 8
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -610.014205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.014205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.014205 (E_RNA)
where:
Base-Base interactions energy: -418.214
where: short stacking energy: -176.124
Base-Backbone interact. energy: -0.180
local terms energy: -191.620315
where:
bonds (distance) C4'-P energy: -38.840
bonds (distance) P-C4' energy: -31.599
flat angles C4'-P-C4' energy: -50.113
flat angles P-C4'-P energy: -36.249
tors. eta vs tors. theta energy: -34.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -643.609686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.609686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.609686 (E_RNA)
where:
Base-Base interactions energy: -438.153
where: short stacking energy: -186.684
Base-Backbone interact. energy: -1.700
local terms energy: -203.756488
where:
bonds (distance) C4'-P energy: -48.348
bonds (distance) P-C4' energy: -41.094
flat angles C4'-P-C4' energy: -41.837
flat angles P-C4'-P energy: -24.378
tors. eta vs tors. theta energy: -48.099
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: 3
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -442.138164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.138164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.138164 (E_RNA)
where:
Base-Base interactions energy: -276.506
where: short stacking energy: -128.478
Base-Backbone interact. energy: -0.948
local terms energy: -164.683845
where:
bonds (distance) C4'-P energy: -49.808
bonds (distance) P-C4' energy: -30.517
flat angles C4'-P-C4' energy: -44.214
flat angles P-C4'-P energy: -27.635
tors. eta vs tors. theta energy: -12.508
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: 1, replica: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -965.393935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.393935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.393935 (E_RNA)
where:
Base-Base interactions energy: -676.028
where: short stacking energy: -282.143
Base-Backbone interact. energy: -1.974
local terms energy: -287.392175
where:
bonds (distance) C4'-P energy: -50.006
bonds (distance) P-C4' energy: -60.511
flat angles C4'-P-C4' energy: -60.293
flat angles P-C4'-P energy: -40.372
tors. eta vs tors. theta energy: -76.209
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: 5
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -910.723168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.723168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.723168 (E_RNA)
where:
Base-Base interactions energy: -637.091
where: short stacking energy: -242.615
Base-Backbone interact. energy: -0.226
local terms energy: -273.406331
where:
bonds (distance) C4'-P energy: -50.682
bonds (distance) P-C4' energy: -58.757
flat angles C4'-P-C4' energy: -62.723
flat angles P-C4'-P energy: -39.777
tors. eta vs tors. theta energy: -61.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -895.129303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.129303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.129303 (E_RNA)
where:
Base-Base interactions energy: -618.898
where: short stacking energy: -251.822
Base-Backbone interact. energy: 2.294
local terms energy: -278.524700
where:
bonds (distance) C4'-P energy: -47.340
bonds (distance) P-C4' energy: -62.473
flat angles C4'-P-C4' energy: -61.018
flat angles P-C4'-P energy: -32.802
tors. eta vs tors. theta energy: -74.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -865.539981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.539981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.539981 (E_RNA)
where:
Base-Base interactions energy: -592.694
where: short stacking energy: -229.530
Base-Backbone interact. energy: -0.078
local terms energy: -272.767736
where:
bonds (distance) C4'-P energy: -52.304
bonds (distance) P-C4' energy: -43.977
flat angles C4'-P-C4' energy: -61.138
flat angles P-C4'-P energy: -46.021
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: 5, replica: 10
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -843.267558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.267558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.267558 (E_RNA)
where:
Base-Base interactions energy: -590.006
where: short stacking energy: -254.407
Base-Backbone interact. energy: -0.973
local terms energy: -252.288813
where:
bonds (distance) C4'-P energy: -42.591
bonds (distance) P-C4' energy: -49.646
flat angles C4'-P-C4' energy: -60.121
flat angles P-C4'-P energy: -35.136
tors. eta vs tors. theta energy: -64.794
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: 6, replica: 2
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -785.746346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.746346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.746346 (E_RNA)
where:
Base-Base interactions energy: -526.464
where: short stacking energy: -226.079
Base-Backbone interact. energy: -0.493
local terms energy: -258.789679
where:
bonds (distance) C4'-P energy: -52.172
bonds (distance) P-C4' energy: -44.573
flat angles C4'-P-C4' energy: -58.191
flat angles P-C4'-P energy: -41.071
tors. eta vs tors. theta energy: -62.783
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: 7, replica: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -691.420824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.420824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.420824 (E_RNA)
where:
Base-Base interactions energy: -475.447
where: short stacking energy: -187.621
Base-Backbone interact. energy: 1.279
local terms energy: -217.252799
where:
bonds (distance) C4'-P energy: -42.809
bonds (distance) P-C4' energy: -43.781
flat angles C4'-P-C4' energy: -48.419
flat angles P-C4'-P energy: -39.366
tors. eta vs tors. theta energy: -42.877
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: 8, replica: 7
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -669.179683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.179683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.179683 (E_RNA)
where:
Base-Base interactions energy: -450.498
where: short stacking energy: -178.029
Base-Backbone interact. energy: 0.787
local terms energy: -219.469132
where:
bonds (distance) C4'-P energy: -48.617
bonds (distance) P-C4' energy: -50.090
flat angles C4'-P-C4' energy: -47.441
flat angles P-C4'-P energy: -28.984
tors. eta vs tors. theta energy: -44.337
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: 300
Temperature: 1.300000
Total energy: -661.631082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.631082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.631082 (E_RNA)
where:
Base-Base interactions energy: -460.782
where: short stacking energy: -209.265
Base-Backbone interact. energy: 0.642
local terms energy: -201.490765
where:
bonds (distance) C4'-P energy: -41.454
bonds (distance) P-C4' energy: -39.534
flat angles C4'-P-C4' energy: -41.484
flat angles P-C4'-P energy: -31.140
tors. eta vs tors. theta energy: -47.878
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: 3
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -449.052968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.052968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.052968 (E_RNA)
where:
Base-Base interactions energy: -278.439
where: short stacking energy: -141.563
Base-Backbone interact. energy: -0.710
local terms energy: -169.904299
where:
bonds (distance) C4'-P energy: -38.476
bonds (distance) P-C4' energy: -35.412
flat angles C4'-P-C4' energy: -46.087
flat angles P-C4'-P energy: -19.908
tors. eta vs tors. theta energy: -30.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -962.905561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.905561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.905561 (E_RNA)
where:
Base-Base interactions energy: -672.557
where: short stacking energy: -257.614
Base-Backbone interact. energy: -2.867
local terms energy: -287.481393
where:
bonds (distance) C4'-P energy: -60.063
bonds (distance) P-C4' energy: -50.736
flat angles C4'-P-C4' energy: -53.932
flat angles P-C4'-P energy: -44.643
tors. eta vs tors. theta energy: -78.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -929.569926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.569926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.569926 (E_RNA)
where:
Base-Base interactions energy: -648.994
where: short stacking energy: -255.276
Base-Backbone interact. energy: -2.267
local terms energy: -278.309440
where:
bonds (distance) C4'-P energy: -52.915
bonds (distance) P-C4' energy: -55.854
flat angles C4'-P-C4' energy: -52.307
flat angles P-C4'-P energy: -44.426
tors. eta vs tors. theta energy: -72.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -912.079949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.079949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.079949 (E_RNA)
where:
Base-Base interactions energy: -644.222
where: short stacking energy: -260.078
Base-Backbone interact. energy: -0.890
local terms energy: -266.968136
where:
bonds (distance) C4'-P energy: -42.434
bonds (distance) P-C4' energy: -50.086
flat angles C4'-P-C4' energy: -55.371
flat angles P-C4'-P energy: -46.215
tors. eta vs tors. theta energy: -72.861
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: 10
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -890.743375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.743375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.743375 (E_RNA)
where:
Base-Base interactions energy: -634.925
where: short stacking energy: -249.783
Base-Backbone interact. energy: -3.115
local terms energy: -252.703040
where:
bonds (distance) C4'-P energy: -54.337
bonds (distance) P-C4' energy: -51.040
flat angles C4'-P-C4' energy: -46.441
flat angles P-C4'-P energy: -30.007
tors. eta vs tors. theta energy: -70.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -820.642655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.642655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.642655 (E_RNA)
where:
Base-Base interactions energy: -587.599
where: short stacking energy: -228.678
Base-Backbone interact. energy: 6.889
local terms energy: -239.933021
where:
bonds (distance) C4'-P energy: -45.612
bonds (distance) P-C4' energy: -43.777
flat angles C4'-P-C4' energy: -51.657
flat angles P-C4'-P energy: -36.485
tors. eta vs tors. theta energy: -62.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -769.765076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.765076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.765076 (E_RNA)
where:
Base-Base interactions energy: -531.365
where: short stacking energy: -220.271
Base-Backbone interact. energy: -2.419
local terms energy: -235.980936
where:
bonds (distance) C4'-P energy: -44.203
bonds (distance) P-C4' energy: -43.456
flat angles C4'-P-C4' energy: -54.289
flat angles P-C4'-P energy: -40.901
tors. eta vs tors. theta energy: -53.132
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: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -680.277290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.277290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.277290 (E_RNA)
where:
Base-Base interactions energy: -448.545
where: short stacking energy: -194.731
Base-Backbone interact. energy: -0.290
local terms energy: -231.442857
where:
bonds (distance) C4'-P energy: -46.511
bonds (distance) P-C4' energy: -54.844
flat angles C4'-P-C4' energy: -50.195
flat angles P-C4'-P energy: -30.345
tors. eta vs tors. theta energy: -49.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -654.347287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.347287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.347287 (E_RNA)
where:
Base-Base interactions energy: -439.303
where: short stacking energy: -201.495
Base-Backbone interact. energy: 1.599
local terms energy: -216.643197
where:
bonds (distance) C4'-P energy: -50.388
bonds (distance) P-C4' energy: -40.851
flat angles C4'-P-C4' energy: -53.896
flat angles P-C4'-P energy: -23.798
tors. eta vs tors. theta energy: -47.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -647.256093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.256093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.256093 (E_RNA)
where:
Base-Base interactions energy: -447.615
where: short stacking energy: -188.217
Base-Backbone interact. energy: 1.342
local terms energy: -200.982826
where:
bonds (distance) C4'-P energy: -37.091
bonds (distance) P-C4' energy: -46.726
flat angles C4'-P-C4' energy: -39.402
flat angles P-C4'-P energy: -34.779
tors. eta vs tors. theta energy: -42.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -440.185811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.185811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.185811 (E_RNA)
where:
Base-Base interactions energy: -278.568
where: short stacking energy: -125.689
Base-Backbone interact. energy: -0.797
local terms energy: -160.821156
where:
bonds (distance) C4'-P energy: -40.745
bonds (distance) P-C4' energy: -34.321
flat angles C4'-P-C4' energy: -45.054
flat angles P-C4'-P energy: -21.180
tors. eta vs tors. theta energy: -19.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -964.886252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.886252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.886252 (E_RNA)
where:
Base-Base interactions energy: -670.428
where: short stacking energy: -279.804
Base-Backbone interact. energy: -1.052
local terms energy: -293.406325
where:
bonds (distance) C4'-P energy: -57.575
bonds (distance) P-C4' energy: -52.855
flat angles C4'-P-C4' energy: -64.425
flat angles P-C4'-P energy: -40.488
tors. eta vs tors. theta energy: -78.065
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: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -941.192998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.192998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.192998 (E_RNA)
where:
Base-Base interactions energy: -666.157
where: short stacking energy: -254.312
Base-Backbone interact. energy: -1.756
local terms energy: -273.280702
where:
bonds (distance) C4'-P energy: -48.595
bonds (distance) P-C4' energy: -51.821
flat angles C4'-P-C4' energy: -60.614
flat angles P-C4'-P energy: -46.579
tors. eta vs tors. theta energy: -65.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -901.185875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.185875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.185875 (E_RNA)
where:
Base-Base interactions energy: -623.454
where: short stacking energy: -238.725
Base-Backbone interact. energy: -1.614
local terms energy: -276.118052
where:
bonds (distance) C4'-P energy: -57.570
bonds (distance) P-C4' energy: -51.980
flat angles C4'-P-C4' energy: -57.105
flat angles P-C4'-P energy: -40.791
tors. eta vs tors. theta energy: -68.671
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: 4, replica: 10
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -918.524562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.524562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.524562 (E_RNA)
where:
Base-Base interactions energy: -653.101
where: short stacking energy: -268.541
Base-Backbone interact. energy: -0.463
local terms energy: -264.959928
where:
bonds (distance) C4'-P energy: -44.113
bonds (distance) P-C4' energy: -50.203
flat angles C4'-P-C4' energy: -61.340
flat angles P-C4'-P energy: -34.203
tors. eta vs tors. theta energy: -75.101
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: 5, replica: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -848.539878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.539878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.539878 (E_RNA)
where:
Base-Base interactions energy: -591.683
where: short stacking energy: -213.356
Base-Backbone interact. energy: -2.035
local terms energy: -254.821329
where:
bonds (distance) C4'-P energy: -44.434
bonds (distance) P-C4' energy: -56.012
flat angles C4'-P-C4' energy: -52.530
flat angles P-C4'-P energy: -42.907
tors. eta vs tors. theta energy: -58.939
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: 2
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -788.372481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.372481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.372481 (E_RNA)
where:
Base-Base interactions energy: -531.071
where: short stacking energy: -227.014
Base-Backbone interact. energy: -0.876
local terms energy: -256.426247
where:
bonds (distance) C4'-P energy: -50.487
bonds (distance) P-C4' energy: -53.505
flat angles C4'-P-C4' energy: -54.917
flat angles P-C4'-P energy: -40.255
tors. eta vs tors. theta energy: -57.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -652.162062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.162062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.162062 (E_RNA)
where:
Base-Base interactions energy: -466.349
where: short stacking energy: -195.184
Base-Backbone interact. energy: 0.963
local terms energy: -186.775594
where:
bonds (distance) C4'-P energy: -36.415
bonds (distance) P-C4' energy: -49.787
flat angles C4'-P-C4' energy: -45.479
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -41.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -634.866351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.866351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.866351 (E_RNA)
where:
Base-Base interactions energy: -410.481
where: short stacking energy: -186.077
Base-Backbone interact. energy: -1.617
local terms energy: -222.768819
where:
bonds (distance) C4'-P energy: -52.993
bonds (distance) P-C4' energy: -44.056
flat angles C4'-P-C4' energy: -55.571
flat angles P-C4'-P energy: -20.722
tors. eta vs tors. theta energy: -49.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -554.275238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.275238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.275238 (E_RNA)
where:
Base-Base interactions energy: -354.894
where: short stacking energy: -159.496
Base-Backbone interact. energy: 0.156
local terms energy: -199.537330
where:
bonds (distance) C4'-P energy: -43.734
bonds (distance) P-C4' energy: -47.004
flat angles C4'-P-C4' energy: -45.516
flat angles P-C4'-P energy: -34.365
tors. eta vs tors. theta energy: -28.917
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: 3
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -488.644836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.644836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.644836 (E_RNA)
where:
Base-Base interactions energy: -309.345
where: short stacking energy: -129.384
Base-Backbone interact. energy: -0.854
local terms energy: -178.445530
where:
bonds (distance) C4'-P energy: -42.709
bonds (distance) P-C4' energy: -45.694
flat angles C4'-P-C4' energy: -45.610
flat angles P-C4'-P energy: -22.772
tors. eta vs tors. theta energy: -21.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -963.765111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.765111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.765111 (E_RNA)
where:
Base-Base interactions energy: -696.371
where: short stacking energy: -284.537
Base-Backbone interact. energy: -1.383
local terms energy: -266.011135
where:
bonds (distance) C4'-P energy: -47.888
bonds (distance) P-C4' energy: -48.490
flat angles C4'-P-C4' energy: -52.919
flat angles P-C4'-P energy: -41.950
tors. eta vs tors. theta energy: -74.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -947.407526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.407526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.407526 (E_RNA)
where:
Base-Base interactions energy: -663.617
where: short stacking energy: -271.212
Base-Backbone interact. energy: -0.920
local terms energy: -282.870551
where:
bonds (distance) C4'-P energy: -50.948
bonds (distance) P-C4' energy: -49.937
flat angles C4'-P-C4' energy: -57.518
flat angles P-C4'-P energy: -48.245
tors. eta vs tors. theta energy: -76.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -909.168453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.168453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.168453 (E_RNA)
where:
Base-Base interactions energy: -643.242
where: short stacking energy: -251.379
Base-Backbone interact. energy: -1.630
local terms energy: -264.295977
where:
bonds (distance) C4'-P energy: -50.782
bonds (distance) P-C4' energy: -52.561
flat angles C4'-P-C4' energy: -51.939
flat angles P-C4'-P energy: -35.126
tors. eta vs tors. theta energy: -73.888
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: 4, replica: 10
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -902.598526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.598526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.598526 (E_RNA)
where:
Base-Base interactions energy: -640.978
where: short stacking energy: -250.280
Base-Backbone interact. energy: -2.474
local terms energy: -259.146773
where:
bonds (distance) C4'-P energy: -48.414
bonds (distance) P-C4' energy: -47.583
flat angles C4'-P-C4' energy: -55.702
flat angles P-C4'-P energy: -41.634
tors. eta vs tors. theta energy: -65.815
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: 6
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -823.647971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.647971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.647971 (E_RNA)
where:
Base-Base interactions energy: -569.969
where: short stacking energy: -232.352
Base-Backbone interact. energy: -1.425
local terms energy: -252.254030
where:
bonds (distance) C4'-P energy: -54.204
bonds (distance) P-C4' energy: -47.619
flat angles C4'-P-C4' energy: -48.587
flat angles P-C4'-P energy: -34.275
tors. eta vs tors. theta energy: -67.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -780.719828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.719828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.719828 (E_RNA)
where:
Base-Base interactions energy: -540.774
where: short stacking energy: -215.536
Base-Backbone interact. energy: -0.062
local terms energy: -239.883805
where:
bonds (distance) C4'-P energy: -46.661
bonds (distance) P-C4' energy: -52.198
flat angles C4'-P-C4' energy: -55.563
flat angles P-C4'-P energy: -33.912
tors. eta vs tors. theta energy: -51.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -701.448146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.448146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.448146 (E_RNA)
where:
Base-Base interactions energy: -468.171
where: short stacking energy: -206.735
Base-Backbone interact. energy: -1.013
local terms energy: -232.264140
where:
bonds (distance) C4'-P energy: -50.482
bonds (distance) P-C4' energy: -37.468
flat angles C4'-P-C4' energy: -46.014
flat angles P-C4'-P energy: -38.339
tors. eta vs tors. theta energy: -59.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -642.858374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.858374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.858374 (E_RNA)
where:
Base-Base interactions energy: -446.509
where: short stacking energy: -173.350
Base-Backbone interact. energy: -1.961
local terms energy: -194.389052
where:
bonds (distance) C4'-P energy: -40.327
bonds (distance) P-C4' energy: -47.380
flat angles C4'-P-C4' energy: -48.001
flat angles P-C4'-P energy: -25.826
tors. eta vs tors. theta energy: -32.855
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: 9, replica: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -587.771106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.771106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.771106 (E_RNA)
where:
Base-Base interactions energy: -385.297
where: short stacking energy: -156.521
Base-Backbone interact. energy: -2.959
local terms energy: -199.514856
where:
bonds (distance) C4'-P energy: -37.837
bonds (distance) P-C4' energy: -45.987
flat angles C4'-P-C4' energy: -51.983
flat angles P-C4'-P energy: -27.506
tors. eta vs tors. theta energy: -36.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -473.189548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.189548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.189548 (E_RNA)
where:
Base-Base interactions energy: -280.246
where: short stacking energy: -123.918
Base-Backbone interact. energy: -1.842
local terms energy: -191.101901
where:
bonds (distance) C4'-P energy: -50.142
bonds (distance) P-C4' energy: -47.299
flat angles C4'-P-C4' energy: -45.204
flat angles P-C4'-P energy: -27.612
tors. eta vs tors. theta energy: -20.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -980.023420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.023420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.023420 (E_RNA)
where:
Base-Base interactions energy: -691.258
where: short stacking energy: -277.427
Base-Backbone interact. energy: -0.727
local terms energy: -288.038808
where:
bonds (distance) C4'-P energy: -60.021
bonds (distance) P-C4' energy: -54.167
flat angles C4'-P-C4' energy: -56.780
flat angles P-C4'-P energy: -34.238
tors. eta vs tors. theta energy: -82.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -932.052196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.052196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.052196 (E_RNA)
where:
Base-Base interactions energy: -650.849
where: short stacking energy: -271.289
Base-Backbone interact. energy: -1.174
local terms energy: -280.029554
where:
bonds (distance) C4'-P energy: -48.973
bonds (distance) P-C4' energy: -52.339
flat angles C4'-P-C4' energy: -55.615
flat angles P-C4'-P energy: -41.771
tors. eta vs tors. theta energy: -81.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -929.200029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.200029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.200029 (E_RNA)
where:
Base-Base interactions energy: -638.504
where: short stacking energy: -258.217
Base-Backbone interact. energy: -1.078
local terms energy: -289.618287
where:
bonds (distance) C4'-P energy: -50.895
bonds (distance) P-C4' energy: -56.060
flat angles C4'-P-C4' energy: -62.013
flat angles P-C4'-P energy: -42.511
tors. eta vs tors. theta energy: -78.138
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: 304
Temperature: 1.050000
Total energy: -876.892518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.892518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.892518 (E_RNA)
where:
Base-Base interactions energy: -619.586
where: short stacking energy: -247.551
Base-Backbone interact. energy: -0.445
local terms energy: -256.861495
where:
bonds (distance) C4'-P energy: -43.046
bonds (distance) P-C4' energy: -46.228
flat angles C4'-P-C4' energy: -52.026
flat angles P-C4'-P energy: -43.728
tors. eta vs tors. theta energy: -71.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -801.963421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.963421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.963421 (E_RNA)
where:
Base-Base interactions energy: -556.760
where: short stacking energy: -230.693
Base-Backbone interact. energy: 0.394
local terms energy: -245.596770
where:
bonds (distance) C4'-P energy: -41.750
bonds (distance) P-C4' energy: -53.399
flat angles C4'-P-C4' energy: -56.373
flat angles P-C4'-P energy: -32.428
tors. eta vs tors. theta energy: -61.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -775.418334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.418334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.418334 (E_RNA)
where:
Base-Base interactions energy: -540.722
where: short stacking energy: -212.803
Base-Backbone interact. energy: -0.405
local terms energy: -234.291481
where:
bonds (distance) C4'-P energy: -45.854
bonds (distance) P-C4' energy: -43.152
flat angles C4'-P-C4' energy: -55.156
flat angles P-C4'-P energy: -34.000
tors. eta vs tors. theta energy: -56.130
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: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -701.999002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.999002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.999002 (E_RNA)
where:
Base-Base interactions energy: -476.976
where: short stacking energy: -203.829
Base-Backbone interact. energy: 0.462
local terms energy: -225.484355
where:
bonds (distance) C4'-P energy: -43.311
bonds (distance) P-C4' energy: -43.840
flat angles C4'-P-C4' energy: -51.266
flat angles P-C4'-P energy: -34.501
tors. eta vs tors. theta energy: -52.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -621.439082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.439082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.439082 (E_RNA)
where:
Base-Base interactions energy: -429.112
where: short stacking energy: -172.915
Base-Backbone interact. energy: -0.458
local terms energy: -191.869009
where:
bonds (distance) C4'-P energy: -29.529
bonds (distance) P-C4' energy: -44.169
flat angles C4'-P-C4' energy: -46.918
flat angles P-C4'-P energy: -29.579
tors. eta vs tors. theta energy: -41.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -617.442383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.442383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.442383 (E_RNA)
where:
Base-Base interactions energy: -404.004
where: short stacking energy: -171.259
Base-Backbone interact. energy: -0.469
local terms energy: -212.969937
where:
bonds (distance) C4'-P energy: -47.993
bonds (distance) P-C4' energy: -53.480
flat angles C4'-P-C4' energy: -44.638
flat angles P-C4'-P energy: -30.942
tors. eta vs tors. theta energy: -35.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -453.304858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.304858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.304858 (E_RNA)
where:
Base-Base interactions energy: -288.145
where: short stacking energy: -127.630
Base-Backbone interact. energy: 0.086
local terms energy: -165.245826
where:
bonds (distance) C4'-P energy: -44.293
bonds (distance) P-C4' energy: -48.943
flat angles C4'-P-C4' energy: -26.205
flat angles P-C4'-P energy: -23.982
tors. eta vs tors. theta energy: -21.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -978.568267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.568267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.568267 (E_RNA)
where:
Base-Base interactions energy: -690.911
where: short stacking energy: -280.364
Base-Backbone interact. energy: 0.359
local terms energy: -288.016525
where:
bonds (distance) C4'-P energy: -53.194
bonds (distance) P-C4' energy: -52.023
flat angles C4'-P-C4' energy: -58.382
flat angles P-C4'-P energy: -43.694
tors. eta vs tors. theta energy: -80.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -942.014519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.014519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.014519 (E_RNA)
where:
Base-Base interactions energy: -671.291
where: short stacking energy: -268.090
Base-Backbone interact. energy: -1.694
local terms energy: -269.029689
where:
bonds (distance) C4'-P energy: -48.442
bonds (distance) P-C4' energy: -53.660
flat angles C4'-P-C4' energy: -55.635
flat angles P-C4'-P energy: -36.089
tors. eta vs tors. theta energy: -75.202
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: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -905.752841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.752841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.752841 (E_RNA)
where:
Base-Base interactions energy: -637.780
where: short stacking energy: -233.877
Base-Backbone interact. energy: -0.236
local terms energy: -267.736994
where:
bonds (distance) C4'-P energy: -59.790
bonds (distance) P-C4' energy: -55.289
flat angles C4'-P-C4' energy: -55.245
flat angles P-C4'-P energy: -33.667
tors. eta vs tors. theta energy: -63.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -868.518724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.518724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.518724 (E_RNA)
where:
Base-Base interactions energy: -607.947
where: short stacking energy: -242.395
Base-Backbone interact. energy: -1.921
local terms energy: -258.650541
where:
bonds (distance) C4'-P energy: -52.995
bonds (distance) P-C4' energy: -49.722
flat angles C4'-P-C4' energy: -51.570
flat angles P-C4'-P energy: -38.229
tors. eta vs tors. theta energy: -66.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -782.058153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.058153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.058153 (E_RNA)
where:
Base-Base interactions energy: -543.836
where: short stacking energy: -226.022
Base-Backbone interact. energy: -1.822
local terms energy: -236.400386
where:
bonds (distance) C4'-P energy: -48.226
bonds (distance) P-C4' energy: -48.038
flat angles C4'-P-C4' energy: -58.335
flat angles P-C4'-P energy: -29.513
tors. eta vs tors. theta energy: -52.289
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: 2
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -767.744479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.744479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.744479 (E_RNA)
where:
Base-Base interactions energy: -526.420
where: short stacking energy: -218.122
Base-Backbone interact. energy: 0.131
local terms energy: -241.455144
where:
bonds (distance) C4'-P energy: -40.748
bonds (distance) P-C4' energy: -47.523
flat angles C4'-P-C4' energy: -50.961
flat angles P-C4'-P energy: -40.839
tors. eta vs tors. theta energy: -61.384
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: 305
Temperature: 1.200000
Total energy: -649.761762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.761762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.761762 (E_RNA)
where:
Base-Base interactions energy: -433.080
where: short stacking energy: -180.255
Base-Backbone interact. energy: -1.042
local terms energy: -215.639405
where:
bonds (distance) C4'-P energy: -59.763
bonds (distance) P-C4' energy: -41.809
flat angles C4'-P-C4' energy: -42.968
flat angles P-C4'-P energy: -31.171
tors. eta vs tors. theta energy: -39.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -654.223676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.223676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.223676 (E_RNA)
where:
Base-Base interactions energy: -439.074
where: short stacking energy: -199.377
Base-Backbone interact. energy: 0.486
local terms energy: -215.636497
where:
bonds (distance) C4'-P energy: -47.212
bonds (distance) P-C4' energy: -37.363
flat angles C4'-P-C4' energy: -53.919
flat angles P-C4'-P energy: -32.511
tors. eta vs tors. theta energy: -44.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -599.802775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.802775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.802775 (E_RNA)
where:
Base-Base interactions energy: -411.789
where: short stacking energy: -171.444
Base-Backbone interact. energy: -1.062
local terms energy: -186.951438
where:
bonds (distance) C4'-P energy: -44.677
bonds (distance) P-C4' energy: -45.814
flat angles C4'-P-C4' energy: -42.756
flat angles P-C4'-P energy: -25.275
tors. eta vs tors. theta energy: -28.429
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: 3
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -476.957524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.957524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.957524 (E_RNA)
where:
Base-Base interactions energy: -305.412
where: short stacking energy: -136.916
Base-Backbone interact. energy: 2.333
local terms energy: -173.878511
where:
bonds (distance) C4'-P energy: -28.466
bonds (distance) P-C4' energy: -42.269
flat angles C4'-P-C4' energy: -46.940
flat angles P-C4'-P energy: -34.333
tors. eta vs tors. theta energy: -21.871
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: 1, replica: 1
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -972.560634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.560634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.560634 (E_RNA)
where:
Base-Base interactions energy: -684.910
where: short stacking energy: -290.963
Base-Backbone interact. energy: -1.167
local terms energy: -286.484029
where:
bonds (distance) C4'-P energy: -57.944
bonds (distance) P-C4' energy: -49.553
flat angles C4'-P-C4' energy: -60.649
flat angles P-C4'-P energy: -34.672
tors. eta vs tors. theta energy: -83.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -941.716243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.716243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.716243 (E_RNA)
where:
Base-Base interactions energy: -649.394
where: short stacking energy: -266.708
Base-Backbone interact. energy: -0.430
local terms energy: -291.892236
where:
bonds (distance) C4'-P energy: -54.923
bonds (distance) P-C4' energy: -54.631
flat angles C4'-P-C4' energy: -58.684
flat angles P-C4'-P energy: -45.863
tors. eta vs tors. theta energy: -77.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -912.492812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.492812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.492812 (E_RNA)
where:
Base-Base interactions energy: -633.861
where: short stacking energy: -256.486
Base-Backbone interact. energy: -2.308
local terms energy: -276.323646
where:
bonds (distance) C4'-P energy: -51.219
bonds (distance) P-C4' energy: -55.429
flat angles C4'-P-C4' energy: -56.554
flat angles P-C4'-P energy: -35.966
tors. eta vs tors. theta energy: -77.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -892.296548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.296548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.296548 (E_RNA)
where:
Base-Base interactions energy: -626.151
where: short stacking energy: -244.505
Base-Backbone interact. energy: -0.550
local terms energy: -265.595122
where:
bonds (distance) C4'-P energy: -44.237
bonds (distance) P-C4' energy: -59.212
flat angles C4'-P-C4' energy: -52.563
flat angles P-C4'-P energy: -36.431
tors. eta vs tors. theta energy: -73.152
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: 6
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -809.178674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.178674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.178674 (E_RNA)
where:
Base-Base interactions energy: -561.241
where: short stacking energy: -228.344
Base-Backbone interact. energy: -0.571
local terms energy: -247.366563
where:
bonds (distance) C4'-P energy: -47.914
bonds (distance) P-C4' energy: -50.359
flat angles C4'-P-C4' energy: -61.404
flat angles P-C4'-P energy: -32.699
tors. eta vs tors. theta energy: -54.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -765.470913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.470913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.470913 (E_RNA)
where:
Base-Base interactions energy: -524.153
where: short stacking energy: -214.491
Base-Backbone interact. energy: 1.034
local terms energy: -242.352425
where:
bonds (distance) C4'-P energy: -51.593
bonds (distance) P-C4' energy: -55.636
flat angles C4'-P-C4' energy: -49.089
flat angles P-C4'-P energy: -29.547
tors. eta vs tors. theta energy: -56.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -684.552643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.552643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.552643 (E_RNA)
where:
Base-Base interactions energy: -452.507
where: short stacking energy: -188.242
Base-Backbone interact. energy: -0.142
local terms energy: -231.903642
where:
bonds (distance) C4'-P energy: -53.814
bonds (distance) P-C4' energy: -51.082
flat angles C4'-P-C4' energy: -51.717
flat angles P-C4'-P energy: -31.643
tors. eta vs tors. theta energy: -43.649
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: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -619.560848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.560848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.560848 (E_RNA)
where:
Base-Base interactions energy: -407.851
where: short stacking energy: -161.295
Base-Backbone interact. energy: -0.719
local terms energy: -210.990686
where:
bonds (distance) C4'-P energy: -53.467
bonds (distance) P-C4' energy: -50.081
flat angles C4'-P-C4' energy: -50.815
flat angles P-C4'-P energy: -24.878
tors. eta vs tors. theta energy: -31.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -671.630832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.630832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.630832 (E_RNA)
where:
Base-Base interactions energy: -470.056
where: short stacking energy: -188.522
Base-Backbone interact. energy: -2.327
local terms energy: -199.248532
where:
bonds (distance) C4'-P energy: -45.037
bonds (distance) P-C4' energy: -42.324
flat angles C4'-P-C4' energy: -34.280
flat angles P-C4'-P energy: -31.755
tors. eta vs tors. theta energy: -45.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -513.420221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.420221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.420221 (E_RNA)
where:
Base-Base interactions energy: -330.068
where: short stacking energy: -152.500
Base-Backbone interact. energy: 0.206
local terms energy: -183.558630
where:
bonds (distance) C4'-P energy: -41.811
bonds (distance) P-C4' energy: -48.952
flat angles C4'-P-C4' energy: -45.159
flat angles P-C4'-P energy: -23.754
tors. eta vs tors. theta energy: -23.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -973.420163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.420163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.420163 (E_RNA)
where:
Base-Base interactions energy: -689.624
where: short stacking energy: -282.002
Base-Backbone interact. energy: -1.255
local terms energy: -282.540816
where:
bonds (distance) C4'-P energy: -49.328
bonds (distance) P-C4' energy: -53.255
flat angles C4'-P-C4' energy: -58.181
flat angles P-C4'-P energy: -40.666
tors. eta vs tors. theta energy: -81.111
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: 10
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -919.013914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.013914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.013914 (E_RNA)
where:
Base-Base interactions energy: -652.125
where: short stacking energy: -244.362
Base-Backbone interact. energy: -0.140
local terms energy: -266.749004
where:
bonds (distance) C4'-P energy: -46.671
bonds (distance) P-C4' energy: -56.800
flat angles C4'-P-C4' energy: -56.493
flat angles P-C4'-P energy: -45.917
tors. eta vs tors. theta energy: -60.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -907.399583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.399583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.399583 (E_RNA)
where:
Base-Base interactions energy: -646.786
where: short stacking energy: -258.813
Base-Backbone interact. energy: -0.343
local terms energy: -260.270947
where:
bonds (distance) C4'-P energy: -47.438
bonds (distance) P-C4' energy: -52.204
flat angles C4'-P-C4' energy: -58.214
flat angles P-C4'-P energy: -37.429
tors. eta vs tors. theta energy: -64.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -914.781243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.781243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.781243 (E_RNA)
where:
Base-Base interactions energy: -642.004
where: short stacking energy: -251.723
Base-Backbone interact. energy: -1.144
local terms energy: -271.632862
where:
bonds (distance) C4'-P energy: -46.642
bonds (distance) P-C4' energy: -53.006
flat angles C4'-P-C4' energy: -55.021
flat angles P-C4'-P energy: -42.720
tors. eta vs tors. theta energy: -74.243
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: 6
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -803.963202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.963202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.963202 (E_RNA)
where:
Base-Base interactions energy: -554.999
where: short stacking energy: -230.112
Base-Backbone interact. energy: -1.544
local terms energy: -247.419933
where:
bonds (distance) C4'-P energy: -49.210
bonds (distance) P-C4' energy: -55.450
flat angles C4'-P-C4' energy: -49.803
flat angles P-C4'-P energy: -33.380
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: 6, replica: 2
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -755.210844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.210844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.210844 (E_RNA)
where:
Base-Base interactions energy: -523.511
where: short stacking energy: -223.765
Base-Backbone interact. energy: -1.936
local terms energy: -229.763300
where:
bonds (distance) C4'-P energy: -43.386
bonds (distance) P-C4' energy: -47.585
flat angles C4'-P-C4' energy: -48.958
flat angles P-C4'-P energy: -35.673
tors. eta vs tors. theta energy: -54.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -687.461941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.461941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.461941 (E_RNA)
where:
Base-Base interactions energy: -466.235
where: short stacking energy: -196.057
Base-Backbone interact. energy: -2.210
local terms energy: -219.017063
where:
bonds (distance) C4'-P energy: -47.225
bonds (distance) P-C4' energy: -40.645
flat angles C4'-P-C4' energy: -36.952
flat angles P-C4'-P energy: -46.224
tors. eta vs tors. theta energy: -47.971
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: 307
Temperature: 1.250000
Total energy: -667.023576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.023576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.023576 (E_RNA)
where:
Base-Base interactions energy: -466.608
where: short stacking energy: -179.640
Base-Backbone interact. energy: -1.645
local terms energy: -198.770562
where:
bonds (distance) C4'-P energy: -44.080
bonds (distance) P-C4' energy: -50.589
flat angles C4'-P-C4' energy: -52.572
flat angles P-C4'-P energy: -21.636
tors. eta vs tors. theta energy: -29.893
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: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -575.653275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.653275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.653275 (E_RNA)
where:
Base-Base interactions energy: -384.679
where: short stacking energy: -167.202
Base-Backbone interact. energy: -0.182
local terms energy: -190.792268
where:
bonds (distance) C4'-P energy: -44.681
bonds (distance) P-C4' energy: -52.106
flat angles C4'-P-C4' energy: -35.200
flat angles P-C4'-P energy: -30.563
tors. eta vs tors. theta energy: -28.242
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: 10, replica: 3
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -500.486081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.486081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.486081 (E_RNA)
where:
Base-Base interactions energy: -331.227
where: short stacking energy: -155.835
Base-Backbone interact. energy: 11.261
local terms energy: -180.519434
where:
bonds (distance) C4'-P energy: -45.701
bonds (distance) P-C4' energy: -28.579
flat angles C4'-P-C4' energy: -50.828
flat angles P-C4'-P energy: -24.939
tors. eta vs tors. theta energy: -30.473
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: 308
Temperature: 0.900000
Total energy: -980.743773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.743773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.743773 (E_RNA)
where:
Base-Base interactions energy: -684.897
where: short stacking energy: -277.500
Base-Backbone interact. energy: 0.432
local terms energy: -296.279506
where:
bonds (distance) C4'-P energy: -52.242
bonds (distance) P-C4' energy: -56.685
flat angles C4'-P-C4' energy: -56.564
flat angles P-C4'-P energy: -46.373
tors. eta vs tors. theta energy: -84.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -921.009821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.009821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.009821 (E_RNA)
where:
Base-Base interactions energy: -638.887
where: short stacking energy: -275.061
Base-Backbone interact. energy: 1.497
local terms energy: -283.620140
where:
bonds (distance) C4'-P energy: -52.832
bonds (distance) P-C4' energy: -50.103
flat angles C4'-P-C4' energy: -60.465
flat angles P-C4'-P energy: -43.321
tors. eta vs tors. theta energy: -76.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -919.529207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.529207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.529207 (E_RNA)
where:
Base-Base interactions energy: -645.478
where: short stacking energy: -251.861
Base-Backbone interact. energy: -1.457
local terms energy: -272.594666
where:
bonds (distance) C4'-P energy: -59.753
bonds (distance) P-C4' energy: -43.606
flat angles C4'-P-C4' energy: -57.202
flat angles P-C4'-P energy: -35.400
tors. eta vs tors. theta energy: -76.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -923.943446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.943446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.943446 (E_RNA)
where:
Base-Base interactions energy: -649.145
where: short stacking energy: -265.401
Base-Backbone interact. energy: 0.111
local terms energy: -274.909572
where:
bonds (distance) C4'-P energy: -48.369
bonds (distance) P-C4' energy: -50.012
flat angles C4'-P-C4' energy: -61.288
flat angles P-C4'-P energy: -40.211
tors. eta vs tors. theta energy: -75.029
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: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -808.570274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.570274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.570274 (E_RNA)
where:
Base-Base interactions energy: -554.681
where: short stacking energy: -221.820
Base-Backbone interact. energy: -0.284
local terms energy: -253.605772
where:
bonds (distance) C4'-P energy: -58.128
bonds (distance) P-C4' energy: -52.461
flat angles C4'-P-C4' energy: -46.543
flat angles P-C4'-P energy: -39.388
tors. eta vs tors. theta energy: -57.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -732.418605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.418605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.418605 (E_RNA)
where:
Base-Base interactions energy: -491.563
where: short stacking energy: -193.288
Base-Backbone interact. energy: -1.118
local terms energy: -239.738399
where:
bonds (distance) C4'-P energy: -53.322
bonds (distance) P-C4' energy: -48.191
flat angles C4'-P-C4' energy: -45.236
flat angles P-C4'-P energy: -36.632
tors. eta vs tors. theta energy: -56.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -705.572764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.572764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.572764 (E_RNA)
where:
Base-Base interactions energy: -489.268
where: short stacking energy: -201.299
Base-Backbone interact. energy: -1.458
local terms energy: -214.847136
where:
bonds (distance) C4'-P energy: -43.878
bonds (distance) P-C4' energy: -39.014
flat angles C4'-P-C4' energy: -41.955
flat angles P-C4'-P energy: -37.856
tors. eta vs tors. theta energy: -52.144
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: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -626.520292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.520292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.520292 (E_RNA)
where:
Base-Base interactions energy: -423.379
where: short stacking energy: -178.010
Base-Backbone interact. energy: 5.771
local terms energy: -208.912051
where:
bonds (distance) C4'-P energy: -42.457
bonds (distance) P-C4' energy: -42.814
flat angles C4'-P-C4' energy: -48.543
flat angles P-C4'-P energy: -33.939
tors. eta vs tors. theta energy: -41.158
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: 8
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -603.796167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.796167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.796167 (E_RNA)
where:
Base-Base interactions energy: -415.265
where: short stacking energy: -168.855
Base-Backbone interact. energy: -0.443
local terms energy: -188.088564
where:
bonds (distance) C4'-P energy: -37.863
bonds (distance) P-C4' energy: -45.072
flat angles C4'-P-C4' energy: -40.689
flat angles P-C4'-P energy: -26.778
tors. eta vs tors. theta energy: -37.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -480.318694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.318694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.318694 (E_RNA)
where:
Base-Base interactions energy: -315.454
where: short stacking energy: -137.270
Base-Backbone interact. energy: 0.313
local terms energy: -165.177458
where:
bonds (distance) C4'-P energy: -28.244
bonds (distance) P-C4' energy: -45.786
flat angles C4'-P-C4' energy: -41.871
flat angles P-C4'-P energy: -29.260
tors. eta vs tors. theta energy: -20.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -964.414308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.414308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.414308 (E_RNA)
where:
Base-Base interactions energy: -676.624
where: short stacking energy: -278.256
Base-Backbone interact. energy: -1.874
local terms energy: -285.916261
where:
bonds (distance) C4'-P energy: -53.643
bonds (distance) P-C4' energy: -53.566
flat angles C4'-P-C4' energy: -56.277
flat angles P-C4'-P energy: -42.005
tors. eta vs tors. theta energy: -80.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -953.433906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.433906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.433906 (E_RNA)
where:
Base-Base interactions energy: -666.137
where: short stacking energy: -271.690
Base-Backbone interact. energy: -1.494
local terms energy: -285.802290
where:
bonds (distance) C4'-P energy: -55.592
bonds (distance) P-C4' energy: -50.897
flat angles C4'-P-C4' energy: -55.264
flat angles P-C4'-P energy: -47.278
tors. eta vs tors. theta energy: -76.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -920.749048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.749048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.749048 (E_RNA)
where:
Base-Base interactions energy: -643.470
where: short stacking energy: -267.773
Base-Backbone interact. energy: 0.004
local terms energy: -277.282730
where:
bonds (distance) C4'-P energy: -49.925
bonds (distance) P-C4' energy: -56.396
flat angles C4'-P-C4' energy: -59.430
flat angles P-C4'-P energy: -37.712
tors. eta vs tors. theta energy: -73.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -889.571718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.571718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.571718 (E_RNA)
where:
Base-Base interactions energy: -641.713
where: short stacking energy: -245.576
Base-Backbone interact. energy: -1.132
local terms energy: -246.726128
where:
bonds (distance) C4'-P energy: -43.393
bonds (distance) P-C4' energy: -46.389
flat angles C4'-P-C4' energy: -57.624
flat angles P-C4'-P energy: -31.413
tors. eta vs tors. theta energy: -67.907
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: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -817.157889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.157889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.157889 (E_RNA)
where:
Base-Base interactions energy: -562.730
where: short stacking energy: -235.915
Base-Backbone interact. energy: 0.405
local terms energy: -254.832477
where:
bonds (distance) C4'-P energy: -51.221
bonds (distance) P-C4' energy: -49.254
flat angles C4'-P-C4' energy: -50.127
flat angles P-C4'-P energy: -39.142
tors. eta vs tors. theta energy: -65.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -738.545237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.545237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.545237 (E_RNA)
where:
Base-Base interactions energy: -485.902
where: short stacking energy: -200.338
Base-Backbone interact. energy: -1.863
local terms energy: -250.780156
where:
bonds (distance) C4'-P energy: -56.451
bonds (distance) P-C4' energy: -55.699
flat angles C4'-P-C4' energy: -52.575
flat angles P-C4'-P energy: -38.018
tors. eta vs tors. theta energy: -48.037
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: 7, replica: 7
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -710.000726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.000726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.000726 (E_RNA)
where:
Base-Base interactions energy: -479.014
where: short stacking energy: -198.902
Base-Backbone interact. energy: -1.828
local terms energy: -229.158955
where:
bonds (distance) C4'-P energy: -38.830
bonds (distance) P-C4' energy: -50.229
flat angles C4'-P-C4' energy: -55.539
flat angles P-C4'-P energy: -36.289
tors. eta vs tors. theta energy: -48.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -643.441226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.441226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.441226 (E_RNA)
where:
Base-Base interactions energy: -424.971
where: short stacking energy: -166.768
Base-Backbone interact. energy: -0.852
local terms energy: -217.617757
where:
bonds (distance) C4'-P energy: -43.675
bonds (distance) P-C4' energy: -46.982
flat angles C4'-P-C4' energy: -46.565
flat angles P-C4'-P energy: -38.223
tors. eta vs tors. theta energy: -42.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -632.353231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.353231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.353231 (E_RNA)
where:
Base-Base interactions energy: -434.378
where: short stacking energy: -196.280
Base-Backbone interact. energy: 0.746
local terms energy: -198.721014
where:
bonds (distance) C4'-P energy: -38.527
bonds (distance) P-C4' energy: -29.194
flat angles C4'-P-C4' energy: -51.628
flat angles P-C4'-P energy: -38.702
tors. eta vs tors. theta energy: -40.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -462.904212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.904212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.904212 (E_RNA)
where:
Base-Base interactions energy: -288.875
where: short stacking energy: -132.567
Base-Backbone interact. energy: -2.060
local terms energy: -171.969131
where:
bonds (distance) C4'-P energy: -43.707
bonds (distance) P-C4' energy: -39.581
flat angles C4'-P-C4' energy: -49.503
flat angles P-C4'-P energy: -19.871
tors. eta vs tors. theta energy: -19.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -970.126614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.126614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.126614 (E_RNA)
where:
Base-Base interactions energy: -670.222
where: short stacking energy: -275.672
Base-Backbone interact. energy: -1.684
local terms energy: -298.221432
where:
bonds (distance) C4'-P energy: -55.781
bonds (distance) P-C4' energy: -60.512
flat angles C4'-P-C4' energy: -57.265
flat angles P-C4'-P energy: -44.586
tors. eta vs tors. theta energy: -80.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -965.411121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.411121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.411121 (E_RNA)
where:
Base-Base interactions energy: -679.148
where: short stacking energy: -272.039
Base-Backbone interact. energy: -2.719
local terms energy: -283.544738
where:
bonds (distance) C4'-P energy: -55.128
bonds (distance) P-C4' energy: -48.313
flat angles C4'-P-C4' energy: -61.355
flat angles P-C4'-P energy: -38.061
tors. eta vs tors. theta energy: -80.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -954.305662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.305662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.305662 (E_RNA)
where:
Base-Base interactions energy: -664.877
where: short stacking energy: -269.788
Base-Backbone interact. energy: -1.105
local terms energy: -288.323001
where:
bonds (distance) C4'-P energy: -54.351
bonds (distance) P-C4' energy: -48.909
flat angles C4'-P-C4' energy: -59.361
flat angles P-C4'-P energy: -46.625
tors. eta vs tors. theta energy: -79.076
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: 4
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -880.017089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.017089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.017089 (E_RNA)
where:
Base-Base interactions energy: -609.740
where: short stacking energy: -255.378
Base-Backbone interact. energy: -0.640
local terms energy: -269.637146
where:
bonds (distance) C4'-P energy: -57.142
bonds (distance) P-C4' energy: -51.536
flat angles C4'-P-C4' energy: -55.959
flat angles P-C4'-P energy: -32.596
tors. eta vs tors. theta energy: -72.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -741.523915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.523915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.523915 (E_RNA)
where:
Base-Base interactions energy: -506.473
where: short stacking energy: -204.626
Base-Backbone interact. energy: -1.688
local terms energy: -233.362728
where:
bonds (distance) C4'-P energy: -43.801
bonds (distance) P-C4' energy: -46.108
flat angles C4'-P-C4' energy: -44.632
flat angles P-C4'-P energy: -45.828
tors. eta vs tors. theta energy: -52.994
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: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -787.808647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.808647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.808647 (E_RNA)
where:
Base-Base interactions energy: -548.971
where: short stacking energy: -240.605
Base-Backbone interact. energy: -3.006
local terms energy: -235.831245
where:
bonds (distance) C4'-P energy: -50.218
bonds (distance) P-C4' energy: -38.040
flat angles C4'-P-C4' energy: -53.849
flat angles P-C4'-P energy: -30.229
tors. eta vs tors. theta energy: -63.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -735.608634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.608634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.608634 (E_RNA)
where:
Base-Base interactions energy: -494.171
where: short stacking energy: -215.528
Base-Backbone interact. energy: -0.919
local terms energy: -240.519167
where:
bonds (distance) C4'-P energy: -52.343
bonds (distance) P-C4' energy: -51.706
flat angles C4'-P-C4' energy: -46.079
flat angles P-C4'-P energy: -32.401
tors. eta vs tors. theta energy: -57.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -599.148255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.148255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.148255 (E_RNA)
where:
Base-Base interactions energy: -394.901
where: short stacking energy: -169.995
Base-Backbone interact. energy: 2.493
local terms energy: -206.739955
where:
bonds (distance) C4'-P energy: -39.698
bonds (distance) P-C4' energy: -57.072
flat angles C4'-P-C4' energy: -47.387
flat angles P-C4'-P energy: -32.370
tors. eta vs tors. theta energy: -30.213
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: 310
Temperature: 1.300000
Total energy: -610.672162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.672162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.672162 (E_RNA)
where:
Base-Base interactions energy: -399.067
where: short stacking energy: -167.195
Base-Backbone interact. energy: 0.417
local terms energy: -212.021802
where:
bonds (distance) C4'-P energy: -52.199
bonds (distance) P-C4' energy: -44.009
flat angles C4'-P-C4' energy: -47.336
flat angles P-C4'-P energy: -32.153
tors. eta vs tors. theta energy: -36.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -537.913289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.913289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.913289 (E_RNA)
where:
Base-Base interactions energy: -354.501
where: short stacking energy: -151.814
Base-Backbone interact. energy: 1.021
local terms energy: -184.432905
where:
bonds (distance) C4'-P energy: -43.015
bonds (distance) P-C4' energy: -46.061
flat angles C4'-P-C4' energy: -38.881
flat angles P-C4'-P energy: -32.448
tors. eta vs tors. theta energy: -24.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -963.084428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.084428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.084428 (E_RNA)
where:
Base-Base interactions energy: -667.305
where: short stacking energy: -265.746
Base-Backbone interact. energy: -1.506
local terms energy: -294.273725
where:
bonds (distance) C4'-P energy: -60.494
bonds (distance) P-C4' energy: -52.721
flat angles C4'-P-C4' energy: -60.910
flat angles P-C4'-P energy: -43.209
tors. eta vs tors. theta energy: -76.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -966.213694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.213694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.213694 (E_RNA)
where:
Base-Base interactions energy: -683.525
where: short stacking energy: -280.906
Base-Backbone interact. energy: -1.687
local terms energy: -281.001661
where:
bonds (distance) C4'-P energy: -43.334
bonds (distance) P-C4' energy: -52.781
flat angles C4'-P-C4' energy: -58.420
flat angles P-C4'-P energy: -43.635
tors. eta vs tors. theta energy: -82.831
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: 10
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -927.556236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.556236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.556236 (E_RNA)
where:
Base-Base interactions energy: -649.401
where: short stacking energy: -263.415
Base-Backbone interact. energy: 1.063
local terms energy: -279.218014
where:
bonds (distance) C4'-P energy: -49.824
bonds (distance) P-C4' energy: -58.073
flat angles C4'-P-C4' energy: -62.243
flat angles P-C4'-P energy: -34.589
tors. eta vs tors. theta energy: -74.488
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: 4
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -913.153888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.153888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.153888 (E_RNA)
where:
Base-Base interactions energy: -648.032
where: short stacking energy: -262.400
Base-Backbone interact. energy: 0.963
local terms energy: -266.085034
where:
bonds (distance) C4'-P energy: -46.675
bonds (distance) P-C4' energy: -47.091
flat angles C4'-P-C4' energy: -50.025
flat angles P-C4'-P energy: -40.865
tors. eta vs tors. theta energy: -81.429
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: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -747.267873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.267873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.267873 (E_RNA)
where:
Base-Base interactions energy: -525.047
where: short stacking energy: -221.213
Base-Backbone interact. energy: 0.366
local terms energy: -222.586898
where:
bonds (distance) C4'-P energy: -48.097
bonds (distance) P-C4' energy: -46.387
flat angles C4'-P-C4' energy: -46.014
flat angles P-C4'-P energy: -29.030
tors. eta vs tors. theta energy: -53.058
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: 6
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -802.180635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.180635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.180635 (E_RNA)
where:
Base-Base interactions energy: -553.764
where: short stacking energy: -225.020
Base-Backbone interact. energy: -0.308
local terms energy: -248.108833
where:
bonds (distance) C4'-P energy: -49.147
bonds (distance) P-C4' energy: -49.502
flat angles C4'-P-C4' energy: -60.538
flat angles P-C4'-P energy: -35.986
tors. eta vs tors. theta energy: -52.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -677.159996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.159996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.159996 (E_RNA)
where:
Base-Base interactions energy: -478.938
where: short stacking energy: -174.955
Base-Backbone interact. energy: -0.381
local terms energy: -197.840715
where:
bonds (distance) C4'-P energy: -42.470
bonds (distance) P-C4' energy: -36.771
flat angles C4'-P-C4' energy: -45.359
flat angles P-C4'-P energy: -35.954
tors. eta vs tors. theta energy: -37.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -654.373780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.373780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.373780 (E_RNA)
where:
Base-Base interactions energy: -449.989
where: short stacking energy: -193.978
Base-Backbone interact. energy: -3.165
local terms energy: -201.218863
where:
bonds (distance) C4'-P energy: -38.520
bonds (distance) P-C4' energy: -47.539
flat angles C4'-P-C4' energy: -47.793
flat angles P-C4'-P energy: -29.974
tors. eta vs tors. theta energy: -37.393
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: 311
Temperature: 1.300000
Total energy: -584.602070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.602070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.602070 (E_RNA)
where:
Base-Base interactions energy: -402.079
where: short stacking energy: -173.374
Base-Backbone interact. energy: -0.947
local terms energy: -181.575570
where:
bonds (distance) C4'-P energy: -37.537
bonds (distance) P-C4' energy: -43.189
flat angles C4'-P-C4' energy: -36.467
flat angles P-C4'-P energy: -25.005
tors. eta vs tors. theta energy: -39.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -509.861080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.861080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.861080 (E_RNA)
where:
Base-Base interactions energy: -331.157
where: short stacking energy: -143.574
Base-Backbone interact. energy: -1.118
local terms energy: -177.586221
where:
bonds (distance) C4'-P energy: -41.428
bonds (distance) P-C4' energy: -36.706
flat angles C4'-P-C4' energy: -59.575
flat angles P-C4'-P energy: -25.308
tors. eta vs tors. theta energy: -14.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -966.096711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.096711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.096711 (E_RNA)
where:
Base-Base interactions energy: -676.311
where: short stacking energy: -277.835
Base-Backbone interact. energy: -1.041
local terms energy: -288.743927
where:
bonds (distance) C4'-P energy: -51.179
bonds (distance) P-C4' energy: -58.798
flat angles C4'-P-C4' energy: -57.176
flat angles P-C4'-P energy: -44.034
tors. eta vs tors. theta energy: -77.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -946.043424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.043424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.043424 (E_RNA)
where:
Base-Base interactions energy: -649.993
where: short stacking energy: -278.296
Base-Backbone interact. energy: -1.107
local terms energy: -294.943128
where:
bonds (distance) C4'-P energy: -54.803
bonds (distance) P-C4' energy: -52.902
flat angles C4'-P-C4' energy: -63.308
flat angles P-C4'-P energy: -42.969
tors. eta vs tors. theta energy: -80.960
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: 10
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -903.554470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.554470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.554470 (E_RNA)
where:
Base-Base interactions energy: -644.804
where: short stacking energy: -242.013
Base-Backbone interact. energy: 0.944
local terms energy: -259.694231
where:
bonds (distance) C4'-P energy: -51.645
bonds (distance) P-C4' energy: -47.832
flat angles C4'-P-C4' energy: -51.974
flat angles P-C4'-P energy: -34.203
tors. eta vs tors. theta energy: -74.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -909.199090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.199090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.199090 (E_RNA)
where:
Base-Base interactions energy: -624.582
where: short stacking energy: -263.952
Base-Backbone interact. energy: -0.623
local terms energy: -283.994150
where:
bonds (distance) C4'-P energy: -46.471
bonds (distance) P-C4' energy: -54.941
flat angles C4'-P-C4' energy: -61.459
flat angles P-C4'-P energy: -44.332
tors. eta vs tors. theta energy: -76.791
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: 312
Temperature: 1.100000
Total energy: -802.433340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.433340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.433340 (E_RNA)
where:
Base-Base interactions energy: -563.001
where: short stacking energy: -234.054
Base-Backbone interact. energy: -0.752
local terms energy: -238.680873
where:
bonds (distance) C4'-P energy: -42.905
bonds (distance) P-C4' energy: -41.135
flat angles C4'-P-C4' energy: -56.186
flat angles P-C4'-P energy: -33.671
tors. eta vs tors. theta energy: -64.784
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: 2
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -747.184628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.184628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.184628 (E_RNA)
where:
Base-Base interactions energy: -515.875
where: short stacking energy: -218.442
Base-Backbone interact. energy: 0.307
local terms energy: -231.615925
where:
bonds (distance) C4'-P energy: -48.470
bonds (distance) P-C4' energy: -37.948
flat angles C4'-P-C4' energy: -53.392
flat angles P-C4'-P energy: -28.796
tors. eta vs tors. theta energy: -63.010
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: 312
Temperature: 1.200000
Total energy: -721.836408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.836408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.836408 (E_RNA)
where:
Base-Base interactions energy: -488.506
where: short stacking energy: -207.578
Base-Backbone interact. energy: 0.482
local terms energy: -233.812679
where:
bonds (distance) C4'-P energy: -50.187
bonds (distance) P-C4' energy: -46.009
flat angles C4'-P-C4' energy: -49.107
flat angles P-C4'-P energy: -34.657
tors. eta vs tors. theta energy: -53.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -665.437950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.437950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.437950 (E_RNA)
where:
Base-Base interactions energy: -442.351
where: short stacking energy: -194.216
Base-Backbone interact. energy: -1.076
local terms energy: -222.011450
where:
bonds (distance) C4'-P energy: -38.547
bonds (distance) P-C4' energy: -51.728
flat angles C4'-P-C4' energy: -44.793
flat angles P-C4'-P energy: -35.399
tors. eta vs tors. theta energy: -51.544
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: 312
Temperature: 1.300000
Total energy: -603.405527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.405527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.405527 (E_RNA)
where:
Base-Base interactions energy: -403.943
where: short stacking energy: -166.882
Base-Backbone interact. energy: -0.729
local terms energy: -198.733833
where:
bonds (distance) C4'-P energy: -41.417
bonds (distance) P-C4' energy: -50.809
flat angles C4'-P-C4' energy: -32.337
flat angles P-C4'-P energy: -34.395
tors. eta vs tors. theta energy: -39.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -451.265414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.265414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.265414 (E_RNA)
where:
Base-Base interactions energy: -285.379
where: short stacking energy: -117.304
Base-Backbone interact. energy: -1.575
local terms energy: -164.311842
where:
bonds (distance) C4'-P energy: -44.902
bonds (distance) P-C4' energy: -40.934
flat angles C4'-P-C4' energy: -41.318
flat angles P-C4'-P energy: -28.858
tors. eta vs tors. theta energy: -8.301
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: 5
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -977.200464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.200464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.200464 (E_RNA)
where:
Base-Base interactions energy: -682.624
where: short stacking energy: -273.450
Base-Backbone interact. energy: -1.562
local terms energy: -293.014062
where:
bonds (distance) C4'-P energy: -51.912
bonds (distance) P-C4' energy: -52.769
flat angles C4'-P-C4' energy: -61.400
flat angles P-C4'-P energy: -42.089
tors. eta vs tors. theta energy: -84.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -945.773071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.773071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.773071 (E_RNA)
where:
Base-Base interactions energy: -654.431
where: short stacking energy: -268.366
Base-Backbone interact. energy: -4.756
local terms energy: -286.585619
where:
bonds (distance) C4'-P energy: -55.283
bonds (distance) P-C4' energy: -48.712
flat angles C4'-P-C4' energy: -60.438
flat angles P-C4'-P energy: -44.606
tors. eta vs tors. theta energy: -77.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -907.595056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.595056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.595056 (E_RNA)
where:
Base-Base interactions energy: -633.034
where: short stacking energy: -228.118
Base-Backbone interact. energy: -0.872
local terms energy: -273.689207
where:
bonds (distance) C4'-P energy: -56.721
bonds (distance) P-C4' energy: -53.647
flat angles C4'-P-C4' energy: -58.751
flat angles P-C4'-P energy: -43.157
tors. eta vs tors. theta energy: -61.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -874.783636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.783636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.783636 (E_RNA)
where:
Base-Base interactions energy: -602.029
where: short stacking energy: -255.863
Base-Backbone interact. energy: -0.389
local terms energy: -272.366055
where:
bonds (distance) C4'-P energy: -50.366
bonds (distance) P-C4' energy: -41.671
flat angles C4'-P-C4' energy: -61.591
flat angles P-C4'-P energy: -44.119
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: 5, replica: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -770.698606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.698606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.698606 (E_RNA)
where:
Base-Base interactions energy: -527.896
where: short stacking energy: -233.412
Base-Backbone interact. energy: 3.574
local terms energy: -246.376039
where:
bonds (distance) C4'-P energy: -50.858
bonds (distance) P-C4' energy: -53.503
flat angles C4'-P-C4' energy: -56.024
flat angles P-C4'-P energy: -32.394
tors. eta vs tors. theta energy: -53.597
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: 6, replica: 7
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -763.595957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.595957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.595957 (E_RNA)
where:
Base-Base interactions energy: -527.846
where: short stacking energy: -216.896
Base-Backbone interact. energy: -0.961
local terms energy: -234.789067
where:
bonds (distance) C4'-P energy: -46.881
bonds (distance) P-C4' energy: -50.497
flat angles C4'-P-C4' energy: -39.960
flat angles P-C4'-P energy: -39.554
tors. eta vs tors. theta energy: -57.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -730.073852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.073852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.073852 (E_RNA)
where:
Base-Base interactions energy: -487.892
where: short stacking energy: -210.137
Base-Backbone interact. energy: -0.877
local terms energy: -241.305030
where:
bonds (distance) C4'-P energy: -53.438
bonds (distance) P-C4' energy: -49.465
flat angles C4'-P-C4' energy: -50.976
flat angles P-C4'-P energy: -26.672
tors. eta vs tors. theta energy: -60.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -629.459076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.459076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.459076 (E_RNA)
where:
Base-Base interactions energy: -416.370
where: short stacking energy: -186.431
Base-Backbone interact. energy: -0.758
local terms energy: -212.330740
where:
bonds (distance) C4'-P energy: -45.112
bonds (distance) P-C4' energy: -46.881
flat angles C4'-P-C4' energy: -42.877
flat angles P-C4'-P energy: -33.033
tors. eta vs tors. theta energy: -44.428
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: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -697.648551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.648551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.648551 (E_RNA)
where:
Base-Base interactions energy: -476.910
where: short stacking energy: -201.524
Base-Backbone interact. energy: -1.434
local terms energy: -219.304895
where:
bonds (distance) C4'-P energy: -49.893
bonds (distance) P-C4' energy: -39.365
flat angles C4'-P-C4' energy: -38.014
flat angles P-C4'-P energy: -33.245
tors. eta vs tors. theta energy: -58.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -552.019683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.019683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.019683 (E_RNA)
where:
Base-Base interactions energy: -366.161
where: short stacking energy: -160.735
Base-Backbone interact. energy: -0.259
local terms energy: -185.599697
where:
bonds (distance) C4'-P energy: -34.623
bonds (distance) P-C4' energy: -46.063
flat angles C4'-P-C4' energy: -47.936
flat angles P-C4'-P energy: -23.064
tors. eta vs tors. theta energy: -33.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -966.420963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.420963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.420963 (E_RNA)
where:
Base-Base interactions energy: -666.186
where: short stacking energy: -278.794
Base-Backbone interact. energy: -1.373
local terms energy: -298.862325
where:
bonds (distance) C4'-P energy: -54.642
bonds (distance) P-C4' energy: -53.742
flat angles C4'-P-C4' energy: -64.650
flat angles P-C4'-P energy: -48.473
tors. eta vs tors. theta energy: -77.355
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: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -939.488437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.488437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.488437 (E_RNA)
where:
Base-Base interactions energy: -655.943
where: short stacking energy: -266.686
Base-Backbone interact. energy: -1.953
local terms energy: -281.592411
where:
bonds (distance) C4'-P energy: -51.345
bonds (distance) P-C4' energy: -53.951
flat angles C4'-P-C4' energy: -55.543
flat angles P-C4'-P energy: -45.215
tors. eta vs tors. theta energy: -75.539
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: 10
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -896.036093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.036093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.036093 (E_RNA)
where:
Base-Base interactions energy: -626.366
where: short stacking energy: -263.101
Base-Backbone interact. energy: -1.046
local terms energy: -268.624409
where:
bonds (distance) C4'-P energy: -52.180
bonds (distance) P-C4' energy: -49.563
flat angles C4'-P-C4' energy: -57.145
flat angles P-C4'-P energy: -39.394
tors. eta vs tors. theta energy: -70.343
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: 314
Temperature: 1.050000
Total energy: -885.466147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.466147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.466147 (E_RNA)
where:
Base-Base interactions energy: -623.184
where: short stacking energy: -237.885
Base-Backbone interact. energy: -0.863
local terms energy: -261.419123
where:
bonds (distance) C4'-P energy: -54.118
bonds (distance) P-C4' energy: -47.891
flat angles C4'-P-C4' energy: -48.025
flat angles P-C4'-P energy: -37.250
tors. eta vs tors. theta energy: -74.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -810.269181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.269181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.269181 (E_RNA)
where:
Base-Base interactions energy: -557.509
where: short stacking energy: -246.819
Base-Backbone interact. energy: -2.826
local terms energy: -249.934637
where:
bonds (distance) C4'-P energy: -50.909
bonds (distance) P-C4' energy: -53.038
flat angles C4'-P-C4' energy: -53.995
flat angles P-C4'-P energy: -32.266
tors. eta vs tors. theta energy: -59.727
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: 7
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -749.427126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.427126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.427126 (E_RNA)
where:
Base-Base interactions energy: -512.769
where: short stacking energy: -233.116
Base-Backbone interact. energy: 1.575
local terms energy: -238.232994
where:
bonds (distance) C4'-P energy: -40.891
bonds (distance) P-C4' energy: -51.612
flat angles C4'-P-C4' energy: -53.506
flat angles P-C4'-P energy: -36.823
tors. eta vs tors. theta energy: -55.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -721.589535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.589535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.589535 (E_RNA)
where:
Base-Base interactions energy: -508.324
where: short stacking energy: -223.896
Base-Backbone interact. energy: -1.284
local terms energy: -211.981212
where:
bonds (distance) C4'-P energy: -39.217
bonds (distance) P-C4' energy: -32.410
flat angles C4'-P-C4' energy: -56.204
flat angles P-C4'-P energy: -26.597
tors. eta vs tors. theta energy: -57.552
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: 9
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -656.651519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.651519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.651519 (E_RNA)
where:
Base-Base interactions energy: -437.161
where: short stacking energy: -200.926
Base-Backbone interact. energy: -0.507
local terms energy: -218.982956
where:
bonds (distance) C4'-P energy: -50.459
bonds (distance) P-C4' energy: -41.216
flat angles C4'-P-C4' energy: -50.265
flat angles P-C4'-P energy: -31.642
tors. eta vs tors. theta energy: -45.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -637.597157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.597157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.597157 (E_RNA)
where:
Base-Base interactions energy: -429.208
where: short stacking energy: -183.483
Base-Backbone interact. energy: -2.233
local terms energy: -206.156139
where:
bonds (distance) C4'-P energy: -47.352
bonds (distance) P-C4' energy: -44.097
flat angles C4'-P-C4' energy: -54.021
flat angles P-C4'-P energy: -30.935
tors. eta vs tors. theta energy: -29.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -527.360465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.360465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.360465 (E_RNA)
where:
Base-Base interactions energy: -346.138
where: short stacking energy: -154.983
Base-Backbone interact. energy: 7.367
local terms energy: -188.588927
where:
bonds (distance) C4'-P energy: -41.096
bonds (distance) P-C4' energy: -44.982
flat angles C4'-P-C4' energy: -44.936
flat angles P-C4'-P energy: -32.379
tors. eta vs tors. theta energy: -25.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -967.523272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.523272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.523272 (E_RNA)
where:
Base-Base interactions energy: -679.634
where: short stacking energy: -280.244
Base-Backbone interact. energy: -0.593
local terms energy: -287.296319
where:
bonds (distance) C4'-P energy: -54.130
bonds (distance) P-C4' energy: -53.780
flat angles C4'-P-C4' energy: -61.993
flat angles P-C4'-P energy: -38.781
tors. eta vs tors. theta energy: -78.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -911.250231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.250231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.250231 (E_RNA)
where:
Base-Base interactions energy: -637.394
where: short stacking energy: -258.535
Base-Backbone interact. energy: -0.620
local terms energy: -273.236477
where:
bonds (distance) C4'-P energy: -52.905
bonds (distance) P-C4' energy: -48.889
flat angles C4'-P-C4' energy: -61.802
flat angles P-C4'-P energy: -39.987
tors. eta vs tors. theta energy: -69.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -927.499274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.499274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.499274 (E_RNA)
where:
Base-Base interactions energy: -658.649
where: short stacking energy: -267.023
Base-Backbone interact. energy: -1.094
local terms energy: -267.756533
where:
bonds (distance) C4'-P energy: -46.350
bonds (distance) P-C4' energy: -43.174
flat angles C4'-P-C4' energy: -55.734
flat angles P-C4'-P energy: -38.104
tors. eta vs tors. theta energy: -84.395
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: 315
Temperature: 1.050000
Total energy: -898.130364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.130364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.130364 (E_RNA)
where:
Base-Base interactions energy: -632.147
where: short stacking energy: -255.358
Base-Backbone interact. energy: -0.909
local terms energy: -265.074308
where:
bonds (distance) C4'-P energy: -44.720
bonds (distance) P-C4' energy: -49.037
flat angles C4'-P-C4' energy: -53.487
flat angles P-C4'-P energy: -41.469
tors. eta vs tors. theta energy: -76.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -820.777585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.777585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.777585 (E_RNA)
where:
Base-Base interactions energy: -571.319
where: short stacking energy: -241.628
Base-Backbone interact. energy: 3.263
local terms energy: -252.721951
where:
bonds (distance) C4'-P energy: -38.700
bonds (distance) P-C4' energy: -56.003
flat angles C4'-P-C4' energy: -61.910
flat angles P-C4'-P energy: -30.343
tors. eta vs tors. theta energy: -65.767
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: 6, replica: 7
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -740.572063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.572063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.572063 (E_RNA)
where:
Base-Base interactions energy: -502.996
where: short stacking energy: -211.972
Base-Backbone interact. energy: -2.372
local terms energy: -235.204716
where:
bonds (distance) C4'-P energy: -42.914
bonds (distance) P-C4' energy: -49.506
flat angles C4'-P-C4' energy: -49.561
flat angles P-C4'-P energy: -39.205
tors. eta vs tors. theta energy: -54.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -708.466322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.466322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.466322 (E_RNA)
where:
Base-Base interactions energy: -487.706
where: short stacking energy: -203.767
Base-Backbone interact. energy: -1.677
local terms energy: -219.083474
where:
bonds (distance) C4'-P energy: -43.511
bonds (distance) P-C4' energy: -42.189
flat angles C4'-P-C4' energy: -50.241
flat angles P-C4'-P energy: -32.601
tors. eta vs tors. theta energy: -50.542
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: 8, replica: 8
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -683.222671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.222671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.222671 (E_RNA)
where:
Base-Base interactions energy: -480.002
where: short stacking energy: -215.027
Base-Backbone interact. energy: 1.038
local terms energy: -204.258532
where:
bonds (distance) C4'-P energy: -46.789
bonds (distance) P-C4' energy: -30.058
flat angles C4'-P-C4' energy: -35.203
flat angles P-C4'-P energy: -37.791
tors. eta vs tors. theta energy: -54.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -630.242828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.242828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.242828 (E_RNA)
where:
Base-Base interactions energy: -415.277
where: short stacking energy: -192.561
Base-Backbone interact. energy: 0.244
local terms energy: -215.209616
where:
bonds (distance) C4'-P energy: -50.763
bonds (distance) P-C4' energy: -46.466
flat angles C4'-P-C4' energy: -43.272
flat angles P-C4'-P energy: -26.126
tors. eta vs tors. theta energy: -48.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -500.902746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.902746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.902746 (E_RNA)
where:
Base-Base interactions energy: -322.126
where: short stacking energy: -147.288
Base-Backbone interact. energy: -3.079
local terms energy: -175.697167
where:
bonds (distance) C4'-P energy: -40.341
bonds (distance) P-C4' energy: -48.813
flat angles C4'-P-C4' energy: -30.808
flat angles P-C4'-P energy: -35.415
tors. eta vs tors. theta energy: -20.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -975.700205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.700205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.700205 (E_RNA)
where:
Base-Base interactions energy: -682.934
where: short stacking energy: -277.660
Base-Backbone interact. energy: -0.228
local terms energy: -292.538714
where:
bonds (distance) C4'-P energy: -54.714
bonds (distance) P-C4' energy: -61.007
flat angles C4'-P-C4' energy: -61.750
flat angles P-C4'-P energy: -40.494
tors. eta vs tors. theta energy: -74.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -913.895476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.895476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.895476 (E_RNA)
where:
Base-Base interactions energy: -647.406
where: short stacking energy: -257.541
Base-Backbone interact. energy: -0.716
local terms energy: -265.773362
where:
bonds (distance) C4'-P energy: -45.701
bonds (distance) P-C4' energy: -52.857
flat angles C4'-P-C4' energy: -59.293
flat angles P-C4'-P energy: -40.362
tors. eta vs tors. theta energy: -67.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -888.008861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.008861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.008861 (E_RNA)
where:
Base-Base interactions energy: -626.401
where: short stacking energy: -248.352
Base-Backbone interact. energy: -1.071
local terms energy: -260.536795
where:
bonds (distance) C4'-P energy: -50.122
bonds (distance) P-C4' energy: -49.000
flat angles C4'-P-C4' energy: -55.853
flat angles P-C4'-P energy: -35.621
tors. eta vs tors. theta energy: -69.941
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: 4
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -881.817846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.817846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.817846 (E_RNA)
where:
Base-Base interactions energy: -612.955
where: short stacking energy: -248.958
Base-Backbone interact. energy: -1.851
local terms energy: -267.011676
where:
bonds (distance) C4'-P energy: -45.531
bonds (distance) P-C4' energy: -55.751
flat angles C4'-P-C4' energy: -53.570
flat angles P-C4'-P energy: -36.576
tors. eta vs tors. theta energy: -75.584
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: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -771.672256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.672256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.672256 (E_RNA)
where:
Base-Base interactions energy: -522.871
where: short stacking energy: -225.823
Base-Backbone interact. energy: -0.983
local terms energy: -247.818848
where:
bonds (distance) C4'-P energy: -53.261
bonds (distance) P-C4' energy: -44.349
flat angles C4'-P-C4' energy: -55.277
flat angles P-C4'-P energy: -26.257
tors. eta vs tors. theta energy: -68.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -756.404683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.404683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.404683 (E_RNA)
where:
Base-Base interactions energy: -535.516
where: short stacking energy: -212.515
Base-Backbone interact. energy: -1.150
local terms energy: -219.738310
where:
bonds (distance) C4'-P energy: -44.827
bonds (distance) P-C4' energy: -48.835
flat angles C4'-P-C4' energy: -47.545
flat angles P-C4'-P energy: -28.092
tors. eta vs tors. theta energy: -50.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -719.094095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.094095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.094095 (E_RNA)
where:
Base-Base interactions energy: -486.798
where: short stacking energy: -203.018
Base-Backbone interact. energy: -1.387
local terms energy: -230.909158
where:
bonds (distance) C4'-P energy: -45.421
bonds (distance) P-C4' energy: -47.896
flat angles C4'-P-C4' energy: -54.284
flat angles P-C4'-P energy: -31.110
tors. eta vs tors. theta energy: -52.198
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: 316
Temperature: 1.250000
Total energy: -672.226457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.226457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.226457 (E_RNA)
where:
Base-Base interactions energy: -453.630
where: short stacking energy: -200.596
Base-Backbone interact. energy: 2.869
local terms energy: -221.465136
where:
bonds (distance) C4'-P energy: -37.349
bonds (distance) P-C4' energy: -46.866
flat angles C4'-P-C4' energy: -47.986
flat angles P-C4'-P energy: -32.594
tors. eta vs tors. theta energy: -56.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -622.658304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.658304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.658304 (E_RNA)
where:
Base-Base interactions energy: -405.081
where: short stacking energy: -160.982
Base-Backbone interact. energy: -2.191
local terms energy: -215.385798
where:
bonds (distance) C4'-P energy: -43.486
bonds (distance) P-C4' energy: -48.207
flat angles C4'-P-C4' energy: -52.906
flat angles P-C4'-P energy: -35.385
tors. eta vs tors. theta energy: -35.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -490.553992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.553992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.553992 (E_RNA)
where:
Base-Base interactions energy: -317.749
where: short stacking energy: -143.135
Base-Backbone interact. energy: -1.198
local terms energy: -171.606941
where:
bonds (distance) C4'-P energy: -32.278
bonds (distance) P-C4' energy: -46.432
flat angles C4'-P-C4' energy: -41.047
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: -28.247
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: 317
Temperature: 0.900000
Total energy: -968.476659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.476659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.476659 (E_RNA)
where:
Base-Base interactions energy: -687.545
where: short stacking energy: -289.042
Base-Backbone interact. energy: -3.528
local terms energy: -277.404268
where:
bonds (distance) C4'-P energy: -44.499
bonds (distance) P-C4' energy: -43.460
flat angles C4'-P-C4' energy: -65.704
flat angles P-C4'-P energy: -36.327
tors. eta vs tors. theta energy: -87.416
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: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -903.680610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.680610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.680610 (E_RNA)
where:
Base-Base interactions energy: -647.280
where: short stacking energy: -256.813
Base-Backbone interact. energy: 0.761
local terms energy: -257.161430
where:
bonds (distance) C4'-P energy: -49.332
bonds (distance) P-C4' energy: -51.598
flat angles C4'-P-C4' energy: -58.523
flat angles P-C4'-P energy: -31.722
tors. eta vs tors. theta energy: -65.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -891.251875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.251875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.251875 (E_RNA)
where:
Base-Base interactions energy: -629.461
where: short stacking energy: -269.295
Base-Backbone interact. energy: -0.495
local terms energy: -261.295768
where:
bonds (distance) C4'-P energy: -52.454
bonds (distance) P-C4' energy: -30.826
flat angles C4'-P-C4' energy: -53.038
flat angles P-C4'-P energy: -50.091
tors. eta vs tors. theta energy: -74.886
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: 4, replica: 4
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -879.738886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.738886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.738886 (E_RNA)
where:
Base-Base interactions energy: -627.402
where: short stacking energy: -263.005
Base-Backbone interact. energy: -0.850
local terms energy: -251.487201
where:
bonds (distance) C4'-P energy: -47.726
bonds (distance) P-C4' energy: -51.846
flat angles C4'-P-C4' energy: -43.277
flat angles P-C4'-P energy: -39.219
tors. eta vs tors. theta energy: -69.420
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: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -769.622457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.622457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.622457 (E_RNA)
where:
Base-Base interactions energy: -543.493
where: short stacking energy: -215.401
Base-Backbone interact. energy: 1.628
local terms energy: -227.757344
where:
bonds (distance) C4'-P energy: -45.157
bonds (distance) P-C4' energy: -34.147
flat angles C4'-P-C4' energy: -50.926
flat angles P-C4'-P energy: -45.278
tors. eta vs tors. theta energy: -52.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -742.883739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.883739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.883739 (E_RNA)
where:
Base-Base interactions energy: -522.390
where: short stacking energy: -223.681
Base-Backbone interact. energy: 4.545
local terms energy: -225.038341
where:
bonds (distance) C4'-P energy: -38.903
bonds (distance) P-C4' energy: -44.873
flat angles C4'-P-C4' energy: -49.796
flat angles P-C4'-P energy: -32.590
tors. eta vs tors. theta energy: -58.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -738.909832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.909832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.909832 (E_RNA)
where:
Base-Base interactions energy: -515.182
where: short stacking energy: -204.185
Base-Backbone interact. energy: -0.819
local terms energy: -222.908524
where:
bonds (distance) C4'-P energy: -48.873
bonds (distance) P-C4' energy: -47.808
flat angles C4'-P-C4' energy: -52.553
flat angles P-C4'-P energy: -30.287
tors. eta vs tors. theta energy: -43.387
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: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -637.665679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.665679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.665679 (E_RNA)
where:
Base-Base interactions energy: -438.583
where: short stacking energy: -181.084
Base-Backbone interact. energy: -0.023
local terms energy: -199.059062
where:
bonds (distance) C4'-P energy: -42.020
bonds (distance) P-C4' energy: -35.197
flat angles C4'-P-C4' energy: -49.012
flat angles P-C4'-P energy: -31.848
tors. eta vs tors. theta energy: -40.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -577.757033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.757033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.757033 (E_RNA)
where:
Base-Base interactions energy: -391.226
where: short stacking energy: -153.694
Base-Backbone interact. energy: -1.190
local terms energy: -185.341376
where:
bonds (distance) C4'-P energy: -44.120
bonds (distance) P-C4' energy: -44.295
flat angles C4'-P-C4' energy: -40.958
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: -32.744
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: 10, replica: 3
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -537.097301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.097301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.097301 (E_RNA)
where:
Base-Base interactions energy: -343.947
where: short stacking energy: -154.205
Base-Backbone interact. energy: -1.258
local terms energy: -191.892515
where:
bonds (distance) C4'-P energy: -40.504
bonds (distance) P-C4' energy: -47.500
flat angles C4'-P-C4' energy: -45.983
flat angles P-C4'-P energy: -26.433
tors. eta vs tors. theta energy: -31.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -978.105309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.105309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.105309 (E_RNA)
where:
Base-Base interactions energy: -686.254
where: short stacking energy: -280.410
Base-Backbone interact. energy: -0.336
local terms energy: -291.514999
where:
bonds (distance) C4'-P energy: -53.537
bonds (distance) P-C4' energy: -57.170
flat angles C4'-P-C4' energy: -54.972
flat angles P-C4'-P energy: -45.160
tors. eta vs tors. theta energy: -80.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -910.565001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.565001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.565001 (E_RNA)
where:
Base-Base interactions energy: -634.542
where: short stacking energy: -262.110
Base-Backbone interact. energy: -0.014
local terms energy: -276.008953
where:
bonds (distance) C4'-P energy: -53.757
bonds (distance) P-C4' energy: -52.038
flat angles C4'-P-C4' energy: -62.267
flat angles P-C4'-P energy: -37.570
tors. eta vs tors. theta energy: -70.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -899.252233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.252233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.252233 (E_RNA)
where:
Base-Base interactions energy: -648.132
where: short stacking energy: -258.165
Base-Backbone interact. energy: -0.964
local terms energy: -250.156239
where:
bonds (distance) C4'-P energy: -39.868
bonds (distance) P-C4' energy: -49.426
flat angles C4'-P-C4' energy: -48.790
flat angles P-C4'-P energy: -32.084
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: 4, replica: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -866.999460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.999460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.999460 (E_RNA)
where:
Base-Base interactions energy: -616.042
where: short stacking energy: -265.636
Base-Backbone interact. energy: -1.272
local terms energy: -249.684687
where:
bonds (distance) C4'-P energy: -41.181
bonds (distance) P-C4' energy: -42.432
flat angles C4'-P-C4' energy: -54.653
flat angles P-C4'-P energy: -38.472
tors. eta vs tors. theta energy: -72.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -783.771653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.771653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.771653 (E_RNA)
where:
Base-Base interactions energy: -539.684
where: short stacking energy: -239.992
Base-Backbone interact. energy: -0.951
local terms energy: -243.137224
where:
bonds (distance) C4'-P energy: -49.709
bonds (distance) P-C4' energy: -44.691
flat angles C4'-P-C4' energy: -55.516
flat angles P-C4'-P energy: -30.316
tors. eta vs tors. theta energy: -62.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -776.691290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.691290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.691290 (E_RNA)
where:
Base-Base interactions energy: -535.323
where: short stacking energy: -231.360
Base-Backbone interact. energy: -1.790
local terms energy: -239.578207
where:
bonds (distance) C4'-P energy: -48.520
bonds (distance) P-C4' energy: -51.798
flat angles C4'-P-C4' energy: -50.270
flat angles P-C4'-P energy: -34.851
tors. eta vs tors. theta energy: -54.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -753.001192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.001192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.001192 (E_RNA)
where:
Base-Base interactions energy: -518.047
where: short stacking energy: -207.300
Base-Backbone interact. energy: -1.746
local terms energy: -233.208844
where:
bonds (distance) C4'-P energy: -44.754
bonds (distance) P-C4' energy: -42.061
flat angles C4'-P-C4' energy: -51.799
flat angles P-C4'-P energy: -38.084
tors. eta vs tors. theta energy: -56.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -662.339950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.339950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.339950 (E_RNA)
where:
Base-Base interactions energy: -439.775
where: short stacking energy: -199.566
Base-Backbone interact. energy: 1.220
local terms energy: -223.784685
where:
bonds (distance) C4'-P energy: -42.184
bonds (distance) P-C4' energy: -50.022
flat angles C4'-P-C4' energy: -47.748
flat angles P-C4'-P energy: -34.377
tors. eta vs tors. theta energy: -49.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -612.753008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.753008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.753008 (E_RNA)
where:
Base-Base interactions energy: -407.234
where: short stacking energy: -180.465
Base-Backbone interact. energy: 0.102
local terms energy: -205.621382
where:
bonds (distance) C4'-P energy: -32.077
bonds (distance) P-C4' energy: -47.802
flat angles C4'-P-C4' energy: -48.573
flat angles P-C4'-P energy: -32.519
tors. eta vs tors. theta energy: -44.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -594.917179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.917179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.917179 (E_RNA)
where:
Base-Base interactions energy: -405.391
where: short stacking energy: -168.881
Base-Backbone interact. energy: -1.582
local terms energy: -187.943802
where:
bonds (distance) C4'-P energy: -37.675
bonds (distance) P-C4' energy: -42.685
flat angles C4'-P-C4' energy: -43.682
flat angles P-C4'-P energy: -24.211
tors. eta vs tors. theta energy: -39.690
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: 319
Temperature: 0.900000
Total energy: -963.312041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.312041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.312041 (E_RNA)
where:
Base-Base interactions energy: -666.778
where: short stacking energy: -273.002
Base-Backbone interact. energy: 0.344
local terms energy: -296.878155
where:
bonds (distance) C4'-P energy: -55.620
bonds (distance) P-C4' energy: -54.816
flat angles C4'-P-C4' energy: -64.512
flat angles P-C4'-P energy: -43.093
tors. eta vs tors. theta energy: -78.838
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: 10
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -917.315537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.315537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.315537 (E_RNA)
where:
Base-Base interactions energy: -633.737
where: short stacking energy: -253.812
Base-Backbone interact. energy: -2.761
local terms energy: -280.816995
where:
bonds (distance) C4'-P energy: -48.832
bonds (distance) P-C4' energy: -57.736
flat angles C4'-P-C4' energy: -59.817
flat angles P-C4'-P energy: -46.902
tors. eta vs tors. theta energy: -67.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -895.406014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.406014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.406014 (E_RNA)
where:
Base-Base interactions energy: -624.886
where: short stacking energy: -272.522
Base-Backbone interact. energy: -0.856
local terms energy: -269.664060
where:
bonds (distance) C4'-P energy: -42.248
bonds (distance) P-C4' energy: -52.198
flat angles C4'-P-C4' energy: -58.972
flat angles P-C4'-P energy: -41.152
tors. eta vs tors. theta energy: -75.094
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: 319
Temperature: 1.050000
Total energy: -904.920437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.920437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.920437 (E_RNA)
where:
Base-Base interactions energy: -630.490
where: short stacking energy: -259.517
Base-Backbone interact. energy: -0.649
local terms energy: -273.780533
where:
bonds (distance) C4'-P energy: -41.970
bonds (distance) P-C4' energy: -57.865
flat angles C4'-P-C4' energy: -65.177
flat angles P-C4'-P energy: -38.551
tors. eta vs tors. theta energy: -70.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -753.724277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.724277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.724277 (E_RNA)
where:
Base-Base interactions energy: -506.352
where: short stacking energy: -207.741
Base-Backbone interact. energy: 0.775
local terms energy: -248.146940
where:
bonds (distance) C4'-P energy: -45.071
bonds (distance) P-C4' energy: -52.920
flat angles C4'-P-C4' energy: -56.356
flat angles P-C4'-P energy: -43.558
tors. eta vs tors. theta energy: -50.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -800.263483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.263483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.263483 (E_RNA)
where:
Base-Base interactions energy: -557.829
where: short stacking energy: -227.585
Base-Backbone interact. energy: -0.717
local terms energy: -241.717112
where:
bonds (distance) C4'-P energy: -52.116
bonds (distance) P-C4' energy: -44.676
flat angles C4'-P-C4' energy: -50.631
flat angles P-C4'-P energy: -36.617
tors. eta vs tors. theta energy: -57.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -758.913107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.913107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.913107 (E_RNA)
where:
Base-Base interactions energy: -511.047
where: short stacking energy: -213.326
Base-Backbone interact. energy: -1.108
local terms energy: -246.758511
where:
bonds (distance) C4'-P energy: -48.393
bonds (distance) P-C4' energy: -51.570
flat angles C4'-P-C4' energy: -54.577
flat angles P-C4'-P energy: -33.770
tors. eta vs tors. theta energy: -58.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -614.244385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.244385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.244385 (E_RNA)
where:
Base-Base interactions energy: -406.075
where: short stacking energy: -174.455
Base-Backbone interact. energy: -1.714
local terms energy: -206.455799
where:
bonds (distance) C4'-P energy: -42.003
bonds (distance) P-C4' energy: -36.520
flat angles C4'-P-C4' energy: -52.676
flat angles P-C4'-P energy: -37.439
tors. eta vs tors. theta energy: -37.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -606.238964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.238964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.238964 (E_RNA)
where:
Base-Base interactions energy: -400.604
where: short stacking energy: -164.154
Base-Backbone interact. energy: -0.372
local terms energy: -205.262831
where:
bonds (distance) C4'-P energy: -40.662
bonds (distance) P-C4' energy: -49.505
flat angles C4'-P-C4' energy: -51.633
flat angles P-C4'-P energy: -34.449
tors. eta vs tors. theta energy: -29.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -575.716447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.716447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.716447 (E_RNA)
where:
Base-Base interactions energy: -386.946
where: short stacking energy: -164.049
Base-Backbone interact. energy: -0.729
local terms energy: -188.041220
where:
bonds (distance) C4'-P energy: -31.523
bonds (distance) P-C4' energy: -44.458
flat angles C4'-P-C4' energy: -49.498
flat angles P-C4'-P energy: -23.666
tors. eta vs tors. theta energy: -38.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -954.917241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.917241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.917241 (E_RNA)
where:
Base-Base interactions energy: -670.075
where: short stacking energy: -268.074
Base-Backbone interact. energy: 0.475
local terms energy: -285.317303
where:
bonds (distance) C4'-P energy: -53.001
bonds (distance) P-C4' energy: -58.924
flat angles C4'-P-C4' energy: -53.616
flat angles P-C4'-P energy: -42.877
tors. eta vs tors. theta energy: -76.898
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: 10
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -914.550596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.550596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.550596 (E_RNA)
where:
Base-Base interactions energy: -639.316
where: short stacking energy: -256.424
Base-Backbone interact. energy: -0.171
local terms energy: -275.063623
where:
bonds (distance) C4'-P energy: -58.333
bonds (distance) P-C4' energy: -54.307
flat angles C4'-P-C4' energy: -57.850
flat angles P-C4'-P energy: -34.222
tors. eta vs tors. theta energy: -70.353
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: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -926.226156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.226156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.226156 (E_RNA)
where:
Base-Base interactions energy: -633.784
where: short stacking energy: -272.819
Base-Backbone interact. energy: 0.591
local terms energy: -293.033067
where:
bonds (distance) C4'-P energy: -57.656
bonds (distance) P-C4' energy: -53.475
flat angles C4'-P-C4' energy: -56.379
flat angles P-C4'-P energy: -48.732
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: 4, replica: 4
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -852.998786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.998786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.998786 (E_RNA)
where:
Base-Base interactions energy: -602.904
where: short stacking energy: -265.676
Base-Backbone interact. energy: -0.863
local terms energy: -249.231997
where:
bonds (distance) C4'-P energy: -45.746
bonds (distance) P-C4' energy: -48.411
flat angles C4'-P-C4' energy: -56.999
flat angles P-C4'-P energy: -33.484
tors. eta vs tors. theta energy: -64.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -785.416511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.416511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.416511 (E_RNA)
where:
Base-Base interactions energy: -543.804
where: short stacking energy: -216.908
Base-Backbone interact. energy: -0.738
local terms energy: -240.874134
where:
bonds (distance) C4'-P energy: -45.482
bonds (distance) P-C4' energy: -49.392
flat angles C4'-P-C4' energy: -50.857
flat angles P-C4'-P energy: -29.233
tors. eta vs tors. theta energy: -65.910
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: 2
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -781.693169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.693169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.693169 (E_RNA)
where:
Base-Base interactions energy: -544.520
where: short stacking energy: -216.778
Base-Backbone interact. energy: -0.147
local terms energy: -237.026230
where:
bonds (distance) C4'-P energy: -40.606
bonds (distance) P-C4' energy: -52.455
flat angles C4'-P-C4' energy: -50.657
flat angles P-C4'-P energy: -37.288
tors. eta vs tors. theta energy: -56.019
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: 9
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -679.870821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.870821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.870821 (E_RNA)
where:
Base-Base interactions energy: -459.153
where: short stacking energy: -193.270
Base-Backbone interact. energy: -1.952
local terms energy: -218.765596
where:
bonds (distance) C4'-P energy: -43.177
bonds (distance) P-C4' energy: -46.314
flat angles C4'-P-C4' energy: -45.756
flat angles P-C4'-P energy: -35.627
tors. eta vs tors. theta energy: -47.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -706.836499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.836499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.836499 (E_RNA)
where:
Base-Base interactions energy: -476.762
where: short stacking energy: -204.605
Base-Backbone interact. energy: -0.826
local terms energy: -229.248338
where:
bonds (distance) C4'-P energy: -51.257
bonds (distance) P-C4' energy: -42.512
flat angles C4'-P-C4' energy: -52.709
flat angles P-C4'-P energy: -28.368
tors. eta vs tors. theta energy: -54.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -599.052233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.052233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.052233 (E_RNA)
where:
Base-Base interactions energy: -381.794
where: short stacking energy: -161.863
Base-Backbone interact. energy: 0.450
local terms energy: -217.707908
where:
bonds (distance) C4'-P energy: -54.909
bonds (distance) P-C4' energy: -34.492
flat angles C4'-P-C4' energy: -54.460
flat angles P-C4'-P energy: -34.454
tors. eta vs tors. theta energy: -39.394
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: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -591.918273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.918273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.918273 (E_RNA)
where:
Base-Base interactions energy: -400.090
where: short stacking energy: -162.838
Base-Backbone interact. energy: 0.036
local terms energy: -191.864308
where:
bonds (distance) C4'-P energy: -40.378
bonds (distance) P-C4' energy: -39.985
flat angles C4'-P-C4' energy: -40.278
flat angles P-C4'-P energy: -39.209
tors. eta vs tors. theta energy: -32.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -965.352756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.352756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.352756 (E_RNA)
where:
Base-Base interactions energy: -677.004
where: short stacking energy: -278.115
Base-Backbone interact. energy: -1.591
local terms energy: -286.757617
where:
bonds (distance) C4'-P energy: -51.850
bonds (distance) P-C4' energy: -56.292
flat angles C4'-P-C4' energy: -59.081
flat angles P-C4'-P energy: -43.231
tors. eta vs tors. theta energy: -76.304
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: 10
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -923.419584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.419584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.419584 (E_RNA)
where:
Base-Base interactions energy: -637.310
where: short stacking energy: -271.857
Base-Backbone interact. energy: 0.114
local terms energy: -286.223197
where:
bonds (distance) C4'-P energy: -56.628
bonds (distance) P-C4' energy: -48.276
flat angles C4'-P-C4' energy: -60.974
flat angles P-C4'-P energy: -43.717
tors. eta vs tors. theta energy: -76.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -925.930476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.930476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.930476 (E_RNA)
where:
Base-Base interactions energy: -646.993
where: short stacking energy: -271.983
Base-Backbone interact. energy: -0.606
local terms energy: -278.331271
where:
bonds (distance) C4'-P energy: -45.796
bonds (distance) P-C4' energy: -42.979
flat angles C4'-P-C4' energy: -64.315
flat angles P-C4'-P energy: -42.396
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: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -895.761539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.761539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.761539 (E_RNA)
where:
Base-Base interactions energy: -618.988
where: short stacking energy: -257.071
Base-Backbone interact. energy: -1.002
local terms energy: -275.770914
where:
bonds (distance) C4'-P energy: -54.505
bonds (distance) P-C4' energy: -57.259
flat angles C4'-P-C4' energy: -54.027
flat angles P-C4'-P energy: -38.020
tors. eta vs tors. theta energy: -71.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -797.403090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.403090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.403090 (E_RNA)
where:
Base-Base interactions energy: -538.534
where: short stacking energy: -227.895
Base-Backbone interact. energy: -1.369
local terms energy: -257.500403
where:
bonds (distance) C4'-P energy: -53.205
bonds (distance) P-C4' energy: -51.901
flat angles C4'-P-C4' energy: -49.596
flat angles P-C4'-P energy: -46.269
tors. eta vs tors. theta energy: -56.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -798.362926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.362926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.362926 (E_RNA)
where:
Base-Base interactions energy: -566.893
where: short stacking energy: -223.468
Base-Backbone interact. energy: -1.504
local terms energy: -229.966199
where:
bonds (distance) C4'-P energy: -43.698
bonds (distance) P-C4' energy: -46.146
flat angles C4'-P-C4' energy: -51.023
flat angles P-C4'-P energy: -29.486
tors. eta vs tors. theta energy: -59.614
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: 7, replica: 9
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -660.968425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.968425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.968425 (E_RNA)
where:
Base-Base interactions energy: -430.296
where: short stacking energy: -182.050
Base-Backbone interact. energy: -2.253
local terms energy: -228.419253
where:
bonds (distance) C4'-P energy: -48.935
bonds (distance) P-C4' energy: -54.702
flat angles C4'-P-C4' energy: -52.348
flat angles P-C4'-P energy: -30.093
tors. eta vs tors. theta energy: -42.342
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: 8, replica: 7
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -713.704503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.704503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.704503 (E_RNA)
where:
Base-Base interactions energy: -472.587
where: short stacking energy: -195.877
Base-Backbone interact. energy: -0.532
local terms energy: -240.585188
where:
bonds (distance) C4'-P energy: -57.620
bonds (distance) P-C4' energy: -41.439
flat angles C4'-P-C4' energy: -56.602
flat angles P-C4'-P energy: -36.295
tors. eta vs tors. theta energy: -48.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -592.662494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.662494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.662494 (E_RNA)
where:
Base-Base interactions energy: -396.605
where: short stacking energy: -160.392
Base-Backbone interact. energy: -0.987
local terms energy: -195.071007
where:
bonds (distance) C4'-P energy: -37.850
bonds (distance) P-C4' energy: -41.615
flat angles C4'-P-C4' energy: -40.987
flat angles P-C4'-P energy: -35.415
tors. eta vs tors. theta energy: -39.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -570.503770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.503770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.503770 (E_RNA)
where:
Base-Base interactions energy: -394.516
where: short stacking energy: -168.969
Base-Backbone interact. energy: -0.599
local terms energy: -175.389014
where:
bonds (distance) C4'-P energy: -42.092
bonds (distance) P-C4' energy: -35.926
flat angles C4'-P-C4' energy: -35.759
flat angles P-C4'-P energy: -29.575
tors. eta vs tors. theta energy: -32.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -973.014142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.014142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.014142 (E_RNA)
where:
Base-Base interactions energy: -690.915
where: short stacking energy: -271.032
Base-Backbone interact. energy: -1.532
local terms energy: -280.567732
where:
bonds (distance) C4'-P energy: -55.665
bonds (distance) P-C4' energy: -51.412
flat angles C4'-P-C4' energy: -60.100
flat angles P-C4'-P energy: -39.147
tors. eta vs tors. theta energy: -74.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -928.726569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.726569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.726569 (E_RNA)
where:
Base-Base interactions energy: -652.039
where: short stacking energy: -267.308
Base-Backbone interact. energy: -1.517
local terms energy: -275.169763
where:
bonds (distance) C4'-P energy: -56.767
bonds (distance) P-C4' energy: -53.280
flat angles C4'-P-C4' energy: -60.307
flat angles P-C4'-P energy: -30.707
tors. eta vs tors. theta energy: -74.110
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: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -930.501338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.501338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.501338 (E_RNA)
where:
Base-Base interactions energy: -646.368
where: short stacking energy: -270.010
Base-Backbone interact. energy: 1.736
local terms energy: -285.869557
where:
bonds (distance) C4'-P energy: -50.950
bonds (distance) P-C4' energy: -51.615
flat angles C4'-P-C4' energy: -59.467
flat angles P-C4'-P energy: -49.442
tors. eta vs tors. theta energy: -74.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -891.454993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.454993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.454993 (E_RNA)
where:
Base-Base interactions energy: -616.946
where: short stacking energy: -257.390
Base-Backbone interact. energy: 0.882
local terms energy: -275.390645
where:
bonds (distance) C4'-P energy: -40.766
bonds (distance) P-C4' energy: -55.944
flat angles C4'-P-C4' energy: -51.665
flat angles P-C4'-P energy: -50.868
tors. eta vs tors. theta energy: -76.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -817.672821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.672821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.672821 (E_RNA)
where:
Base-Base interactions energy: -584.409
where: short stacking energy: -246.357
Base-Backbone interact. energy: -0.710
local terms energy: -232.553560
where:
bonds (distance) C4'-P energy: -40.111
bonds (distance) P-C4' energy: -53.600
flat angles C4'-P-C4' energy: -44.904
flat angles P-C4'-P energy: -28.909
tors. eta vs tors. theta energy: -65.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -787.301404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.301404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.301404 (E_RNA)
where:
Base-Base interactions energy: -547.373
where: short stacking energy: -223.081
Base-Backbone interact. energy: 1.647
local terms energy: -241.574591
where:
bonds (distance) C4'-P energy: -43.173
bonds (distance) P-C4' energy: -51.483
flat angles C4'-P-C4' energy: -55.522
flat angles P-C4'-P energy: -36.395
tors. eta vs tors. theta energy: -55.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -668.031158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.031158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.031158 (E_RNA)
where:
Base-Base interactions energy: -449.359
where: short stacking energy: -189.743
Base-Backbone interact. energy: -1.089
local terms energy: -217.583497
where:
bonds (distance) C4'-P energy: -47.782
bonds (distance) P-C4' energy: -45.772
flat angles C4'-P-C4' energy: -42.628
flat angles P-C4'-P energy: -34.407
tors. eta vs tors. theta energy: -46.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -716.886767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.886767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.886767 (E_RNA)
where:
Base-Base interactions energy: -476.896
where: short stacking energy: -197.205
Base-Backbone interact. energy: 1.063
local terms energy: -241.053821
where:
bonds (distance) C4'-P energy: -44.142
bonds (distance) P-C4' energy: -49.029
flat angles C4'-P-C4' energy: -59.099
flat angles P-C4'-P energy: -37.961
tors. eta vs tors. theta energy: -50.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -593.373432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.373432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.373432 (E_RNA)
where:
Base-Base interactions energy: -386.110
where: short stacking energy: -172.390
Base-Backbone interact. energy: -1.390
local terms energy: -205.873254
where:
bonds (distance) C4'-P energy: -34.392
bonds (distance) P-C4' energy: -45.669
flat angles C4'-P-C4' energy: -53.218
flat angles P-C4'-P energy: -31.292
tors. eta vs tors. theta energy: -41.303
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: 10, replica: 3
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -512.822980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.822980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.822980 (E_RNA)
where:
Base-Base interactions energy: -321.547
where: short stacking energy: -133.462
Base-Backbone interact. energy: -0.324
local terms energy: -190.951921
where:
bonds (distance) C4'-P energy: -51.334
bonds (distance) P-C4' energy: -39.379
flat angles C4'-P-C4' energy: -52.078
flat angles P-C4'-P energy: -25.253
tors. eta vs tors. theta energy: -22.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -969.401442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.401442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.401442 (E_RNA)
where:
Base-Base interactions energy: -686.066
where: short stacking energy: -271.221
Base-Backbone interact. energy: -0.630
local terms energy: -282.705528
where:
bonds (distance) C4'-P energy: -43.890
bonds (distance) P-C4' energy: -59.425
flat angles C4'-P-C4' energy: -60.793
flat angles P-C4'-P energy: -39.455
tors. eta vs tors. theta energy: -79.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -924.230909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.230909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.230909 (E_RNA)
where:
Base-Base interactions energy: -666.411
where: short stacking energy: -267.920
Base-Backbone interact. energy: 0.689
local terms energy: -258.508639
where:
bonds (distance) C4'-P energy: -51.259
bonds (distance) P-C4' energy: -49.693
flat angles C4'-P-C4' energy: -55.750
flat angles P-C4'-P energy: -34.055
tors. eta vs tors. theta energy: -67.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -904.872667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.872667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.872667 (E_RNA)
where:
Base-Base interactions energy: -629.423
where: short stacking energy: -273.598
Base-Backbone interact. energy: -1.372
local terms energy: -274.077253
where:
bonds (distance) C4'-P energy: -54.075
bonds (distance) P-C4' energy: -46.667
flat angles C4'-P-C4' energy: -53.470
flat angles P-C4'-P energy: -37.429
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: 4, replica: 4
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -876.489962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.489962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.489962 (E_RNA)
where:
Base-Base interactions energy: -617.879
where: short stacking energy: -246.443
Base-Backbone interact. energy: -0.882
local terms energy: -257.729012
where:
bonds (distance) C4'-P energy: -45.009
bonds (distance) P-C4' energy: -39.408
flat angles C4'-P-C4' energy: -61.496
flat angles P-C4'-P energy: -39.652
tors. eta vs tors. theta energy: -72.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -835.459054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.459054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.459054 (E_RNA)
where:
Base-Base interactions energy: -579.312
where: short stacking energy: -252.575
Base-Backbone interact. energy: -0.234
local terms energy: -255.913080
where:
bonds (distance) C4'-P energy: -43.235
bonds (distance) P-C4' energy: -50.732
flat angles C4'-P-C4' energy: -59.764
flat angles P-C4'-P energy: -39.656
tors. eta vs tors. theta energy: -62.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -774.880199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.880199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.880199 (E_RNA)
where:
Base-Base interactions energy: -527.292
where: short stacking energy: -212.068
Base-Backbone interact. energy: -0.457
local terms energy: -247.131179
where:
bonds (distance) C4'-P energy: -46.010
bonds (distance) P-C4' energy: -58.775
flat angles C4'-P-C4' energy: -49.884
flat angles P-C4'-P energy: -34.658
tors. eta vs tors. theta energy: -57.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -699.208344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.208344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.208344 (E_RNA)
where:
Base-Base interactions energy: -488.928
where: short stacking energy: -209.788
Base-Backbone interact. energy: -2.300
local terms energy: -207.980022
where:
bonds (distance) C4'-P energy: -39.362
bonds (distance) P-C4' energy: -35.790
flat angles C4'-P-C4' energy: -55.503
flat angles P-C4'-P energy: -28.682
tors. eta vs tors. theta energy: -48.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -659.876649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.876649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.876649 (E_RNA)
where:
Base-Base interactions energy: -424.293
where: short stacking energy: -182.494
Base-Backbone interact. energy: -1.087
local terms energy: -234.496677
where:
bonds (distance) C4'-P energy: -53.010
bonds (distance) P-C4' energy: -44.756
flat angles C4'-P-C4' energy: -39.277
flat angles P-C4'-P energy: -36.922
tors. eta vs tors. theta energy: -60.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -608.212996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.212996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.212996 (E_RNA)
where:
Base-Base interactions energy: -403.260
where: short stacking energy: -153.291
Base-Backbone interact. energy: -1.802
local terms energy: -203.150817
where:
bonds (distance) C4'-P energy: -41.005
bonds (distance) P-C4' energy: -49.924
flat angles C4'-P-C4' energy: -45.413
flat angles P-C4'-P energy: -34.175
tors. eta vs tors. theta energy: -32.634
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: 3
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -506.779133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.779133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.779133 (E_RNA)
where:
Base-Base interactions energy: -316.084
where: short stacking energy: -161.025
Base-Backbone interact. energy: -0.921
local terms energy: -189.774748
where:
bonds (distance) C4'-P energy: -44.847
bonds (distance) P-C4' energy: -48.150
flat angles C4'-P-C4' energy: -53.655
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -24.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -964.859896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.859896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.859896 (E_RNA)
where:
Base-Base interactions energy: -683.152
where: short stacking energy: -267.810
Base-Backbone interact. energy: -2.052
local terms energy: -279.655749
where:
bonds (distance) C4'-P energy: -49.878
bonds (distance) P-C4' energy: -55.116
flat angles C4'-P-C4' energy: -60.331
flat angles P-C4'-P energy: -42.480
tors. eta vs tors. theta energy: -71.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -928.511072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.511072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.511072 (E_RNA)
where:
Base-Base interactions energy: -658.561
where: short stacking energy: -270.617
Base-Backbone interact. energy: -1.324
local terms energy: -268.626485
where:
bonds (distance) C4'-P energy: -43.493
bonds (distance) P-C4' energy: -47.398
flat angles C4'-P-C4' energy: -57.870
flat angles P-C4'-P energy: -41.146
tors. eta vs tors. theta energy: -78.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -926.265074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.265074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.265074 (E_RNA)
where:
Base-Base interactions energy: -636.834
where: short stacking energy: -265.118
Base-Backbone interact. energy: -1.832
local terms energy: -287.598632
where:
bonds (distance) C4'-P energy: -51.456
bonds (distance) P-C4' energy: -52.861
flat angles C4'-P-C4' energy: -61.354
flat angles P-C4'-P energy: -45.771
tors. eta vs tors. theta energy: -76.157
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: 10
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -873.193302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.193302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.193302 (E_RNA)
where:
Base-Base interactions energy: -621.022
where: short stacking energy: -236.891
Base-Backbone interact. energy: 5.001
local terms energy: -257.172212
where:
bonds (distance) C4'-P energy: -45.611
bonds (distance) P-C4' energy: -49.403
flat angles C4'-P-C4' energy: -61.574
flat angles P-C4'-P energy: -37.025
tors. eta vs tors. theta energy: -63.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -822.177110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.177110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.177110 (E_RNA)
where:
Base-Base interactions energy: -574.130
where: short stacking energy: -234.914
Base-Backbone interact. energy: 2.100
local terms energy: -250.147127
where:
bonds (distance) C4'-P energy: -41.010
bonds (distance) P-C4' energy: -53.214
flat angles C4'-P-C4' energy: -54.207
flat angles P-C4'-P energy: -32.479
tors. eta vs tors. theta energy: -69.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -760.377284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.377284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.377284 (E_RNA)
where:
Base-Base interactions energy: -535.763
where: short stacking energy: -210.228
Base-Backbone interact. energy: 0.627
local terms energy: -225.241103
where:
bonds (distance) C4'-P energy: -42.375
bonds (distance) P-C4' energy: -37.777
flat angles C4'-P-C4' energy: -60.459
flat angles P-C4'-P energy: -37.384
tors. eta vs tors. theta energy: -47.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -684.699377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.699377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.699377 (E_RNA)
where:
Base-Base interactions energy: -460.235
where: short stacking energy: -188.748
Base-Backbone interact. energy: -1.483
local terms energy: -222.981440
where:
bonds (distance) C4'-P energy: -41.023
bonds (distance) P-C4' energy: -42.640
flat angles C4'-P-C4' energy: -54.158
flat angles P-C4'-P energy: -27.003
tors. eta vs tors. theta energy: -58.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -676.383284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.383284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.383284 (E_RNA)
where:
Base-Base interactions energy: -473.933
where: short stacking energy: -198.529
Base-Backbone interact. energy: -0.335
local terms energy: -202.114780
where:
bonds (distance) C4'-P energy: -35.670
bonds (distance) P-C4' energy: -42.067
flat angles C4'-P-C4' energy: -43.587
flat angles P-C4'-P energy: -27.024
tors. eta vs tors. theta energy: -53.766
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: 8
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -612.689804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.689804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.689804 (E_RNA)
where:
Base-Base interactions energy: -410.467
where: short stacking energy: -174.310
Base-Backbone interact. energy: 2.533
local terms energy: -204.756367
where:
bonds (distance) C4'-P energy: -43.092
bonds (distance) P-C4' energy: -48.029
flat angles C4'-P-C4' energy: -46.819
flat angles P-C4'-P energy: -29.167
tors. eta vs tors. theta energy: -37.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -503.847720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.847720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.847720 (E_RNA)
where:
Base-Base interactions energy: -313.098
where: short stacking energy: -154.803
Base-Backbone interact. energy: -0.142
local terms energy: -190.608287
where:
bonds (distance) C4'-P energy: -44.522
bonds (distance) P-C4' energy: -46.828
flat angles C4'-P-C4' energy: -39.788
flat angles P-C4'-P energy: -24.962
tors. eta vs tors. theta energy: -34.508
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: 1, replica: 1
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -963.026484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.026484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.026484 (E_RNA)
where:
Base-Base interactions energy: -682.073
where: short stacking energy: -280.998
Base-Backbone interact. energy: -0.563
local terms energy: -280.390504
where:
bonds (distance) C4'-P energy: -58.360
bonds (distance) P-C4' energy: -56.501
flat angles C4'-P-C4' energy: -50.560
flat angles P-C4'-P energy: -40.329
tors. eta vs tors. theta energy: -74.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -944.374194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.374194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.374194 (E_RNA)
where:
Base-Base interactions energy: -665.467
where: short stacking energy: -278.869
Base-Backbone interact. energy: 0.367
local terms energy: -279.273908
where:
bonds (distance) C4'-P energy: -53.317
bonds (distance) P-C4' energy: -48.697
flat angles C4'-P-C4' energy: -51.234
flat angles P-C4'-P energy: -45.823
tors. eta vs tors. theta energy: -80.202
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: 4
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -918.150182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.150182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.150182 (E_RNA)
where:
Base-Base interactions energy: -640.136
where: short stacking energy: -268.800
Base-Backbone interact. energy: -1.277
local terms energy: -276.737333
where:
bonds (distance) C4'-P energy: -46.662
bonds (distance) P-C4' energy: -51.812
flat angles C4'-P-C4' energy: -62.301
flat angles P-C4'-P energy: -39.536
tors. eta vs tors. theta energy: -76.426
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: 10
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -906.564555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.564555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.564555 (E_RNA)
where:
Base-Base interactions energy: -621.749
where: short stacking energy: -270.035
Base-Backbone interact. energy: -1.966
local terms energy: -282.850008
where:
bonds (distance) C4'-P energy: -54.010
bonds (distance) P-C4' energy: -47.849
flat angles C4'-P-C4' energy: -62.985
flat angles P-C4'-P energy: -38.201
tors. eta vs tors. theta energy: -79.806
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: 5, replica: 2
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -814.963486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.963486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.963486 (E_RNA)
where:
Base-Base interactions energy: -556.535
where: short stacking energy: -236.769
Base-Backbone interact. energy: 0.013
local terms energy: -258.441385
where:
bonds (distance) C4'-P energy: -54.778
bonds (distance) P-C4' energy: -43.315
flat angles C4'-P-C4' energy: -54.488
flat angles P-C4'-P energy: -37.472
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: 6, replica: 6
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -782.122017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.122017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.122017 (E_RNA)
where:
Base-Base interactions energy: -553.750
where: short stacking energy: -214.492
Base-Backbone interact. energy: 4.558
local terms energy: -232.930068
where:
bonds (distance) C4'-P energy: -36.290
bonds (distance) P-C4' energy: -49.057
flat angles C4'-P-C4' energy: -52.867
flat angles P-C4'-P energy: -36.808
tors. eta vs tors. theta energy: -57.908
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: 9
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -666.171704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.171704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.171704 (E_RNA)
where:
Base-Base interactions energy: -431.227
where: short stacking energy: -190.425
Base-Backbone interact. energy: -1.063
local terms energy: -233.881911
where:
bonds (distance) C4'-P energy: -48.650
bonds (distance) P-C4' energy: -51.993
flat angles C4'-P-C4' energy: -46.033
flat angles P-C4'-P energy: -37.290
tors. eta vs tors. theta energy: -49.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -658.140850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.140850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.140850 (E_RNA)
where:
Base-Base interactions energy: -451.443
where: short stacking energy: -183.892
Base-Backbone interact. energy: 0.360
local terms energy: -207.058659
where:
bonds (distance) C4'-P energy: -44.202
bonds (distance) P-C4' energy: -42.177
flat angles C4'-P-C4' energy: -50.931
flat angles P-C4'-P energy: -30.748
tors. eta vs tors. theta energy: -39.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -661.875483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.875483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.875483 (E_RNA)
where:
Base-Base interactions energy: -461.509
where: short stacking energy: -197.472
Base-Backbone interact. energy: 0.845
local terms energy: -201.210734
where:
bonds (distance) C4'-P energy: -47.971
bonds (distance) P-C4' energy: -39.925
flat angles C4'-P-C4' energy: -39.318
flat angles P-C4'-P energy: -34.381
tors. eta vs tors. theta energy: -39.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -472.926730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.926730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.926730 (E_RNA)
where:
Base-Base interactions energy: -274.940
where: short stacking energy: -117.582
Base-Backbone interact. energy: 4.720
local terms energy: -202.706893
where:
bonds (distance) C4'-P energy: -51.635
bonds (distance) P-C4' energy: -50.110
flat angles C4'-P-C4' energy: -42.185
flat angles P-C4'-P energy: -32.383
tors. eta vs tors. theta energy: -26.394
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: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -968.345396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.345396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.345396 (E_RNA)
where:
Base-Base interactions energy: -674.089
where: short stacking energy: -281.884
Base-Backbone interact. energy: -2.167
local terms energy: -292.089686
where:
bonds (distance) C4'-P energy: -53.623
bonds (distance) P-C4' energy: -51.886
flat angles C4'-P-C4' energy: -60.947
flat angles P-C4'-P energy: -46.831
tors. eta vs tors. theta energy: -78.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -937.474783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.474783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.474783 (E_RNA)
where:
Base-Base interactions energy: -663.285
where: short stacking energy: -270.928
Base-Backbone interact. energy: -2.055
local terms energy: -272.133946
where:
bonds (distance) C4'-P energy: -44.469
bonds (distance) P-C4' energy: -55.802
flat angles C4'-P-C4' energy: -58.841
flat angles P-C4'-P energy: -38.514
tors. eta vs tors. theta energy: -74.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -922.621630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.621630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.621630 (E_RNA)
where:
Base-Base interactions energy: -646.036
where: short stacking energy: -261.513
Base-Backbone interact. energy: -0.231
local terms energy: -276.354984
where:
bonds (distance) C4'-P energy: -44.172
bonds (distance) P-C4' energy: -54.479
flat angles C4'-P-C4' energy: -54.543
flat angles P-C4'-P energy: -47.173
tors. eta vs tors. theta energy: -75.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -896.040770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.040770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.040770 (E_RNA)
where:
Base-Base interactions energy: -622.049
where: short stacking energy: -245.557
Base-Backbone interact. energy: -1.159
local terms energy: -272.831954
where:
bonds (distance) C4'-P energy: -49.248
bonds (distance) P-C4' energy: -55.405
flat angles C4'-P-C4' energy: -57.823
flat angles P-C4'-P energy: -36.867
tors. eta vs tors. theta energy: -73.489
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: 2
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -826.439185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.439185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.439185 (E_RNA)
where:
Base-Base interactions energy: -563.681
where: short stacking energy: -238.302
Base-Backbone interact. energy: -1.474
local terms energy: -261.284399
where:
bonds (distance) C4'-P energy: -55.806
bonds (distance) P-C4' energy: -56.662
flat angles C4'-P-C4' energy: -54.927
flat angles P-C4'-P energy: -30.530
tors. eta vs tors. theta energy: -63.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -779.695499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.695499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.695499 (E_RNA)
where:
Base-Base interactions energy: -534.298
where: short stacking energy: -216.406
Base-Backbone interact. energy: -1.476
local terms energy: -243.921500
where:
bonds (distance) C4'-P energy: -46.972
bonds (distance) P-C4' energy: -59.769
flat angles C4'-P-C4' energy: -48.942
flat angles P-C4'-P energy: -37.657
tors. eta vs tors. theta energy: -50.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -668.057192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.057192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.057192 (E_RNA)
where:
Base-Base interactions energy: -446.220
where: short stacking energy: -196.197
Base-Backbone interact. energy: 4.802
local terms energy: -226.639295
where:
bonds (distance) C4'-P energy: -43.506
bonds (distance) P-C4' energy: -58.994
flat angles C4'-P-C4' energy: -54.155
flat angles P-C4'-P energy: -27.101
tors. eta vs tors. theta energy: -42.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -659.446367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.446367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.446367 (E_RNA)
where:
Base-Base interactions energy: -446.099
where: short stacking energy: -189.249
Base-Backbone interact. energy: 1.521
local terms energy: -214.868275
where:
bonds (distance) C4'-P energy: -45.912
bonds (distance) P-C4' energy: -40.640
flat angles C4'-P-C4' energy: -52.135
flat angles P-C4'-P energy: -28.358
tors. eta vs tors. theta energy: -47.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -642.894905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.894905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.894905 (E_RNA)
where:
Base-Base interactions energy: -407.411
where: short stacking energy: -174.920
Base-Backbone interact. energy: 3.773
local terms energy: -239.256355
where:
bonds (distance) C4'-P energy: -51.673
bonds (distance) P-C4' energy: -51.887
flat angles C4'-P-C4' energy: -54.921
flat angles P-C4'-P energy: -31.573
tors. eta vs tors. theta energy: -49.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -537.244937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.244937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.244937 (E_RNA)
where:
Base-Base interactions energy: -353.709
where: short stacking energy: -160.721
Base-Backbone interact. energy: -0.365
local terms energy: -183.170086
where:
bonds (distance) C4'-P energy: -37.226
bonds (distance) P-C4' energy: -47.648
flat angles C4'-P-C4' energy: -38.072
flat angles P-C4'-P energy: -29.846
tors. eta vs tors. theta energy: -30.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -943.994608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.994608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.994608 (E_RNA)
where:
Base-Base interactions energy: -664.114
where: short stacking energy: -267.525
Base-Backbone interact. energy: -0.911
local terms energy: -278.969645
where:
bonds (distance) C4'-P energy: -62.101
bonds (distance) P-C4' energy: -47.043
flat angles C4'-P-C4' energy: -59.602
flat angles P-C4'-P energy: -38.769
tors. eta vs tors. theta energy: -71.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -934.054784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.054784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.054784 (E_RNA)
where:
Base-Base interactions energy: -653.821
where: short stacking energy: -269.737
Base-Backbone interact. energy: -0.498
local terms energy: -279.736025
where:
bonds (distance) C4'-P energy: -48.159
bonds (distance) P-C4' energy: -51.889
flat angles C4'-P-C4' energy: -58.831
flat angles P-C4'-P energy: -43.251
tors. eta vs tors. theta energy: -77.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -899.652772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.652772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.652772 (E_RNA)
where:
Base-Base interactions energy: -622.052
where: short stacking energy: -257.014
Base-Backbone interact. energy: -1.884
local terms energy: -275.715995
where:
bonds (distance) C4'-P energy: -59.831
bonds (distance) P-C4' energy: -47.429
flat angles C4'-P-C4' energy: -54.005
flat angles P-C4'-P energy: -41.474
tors. eta vs tors. theta energy: -72.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -848.927614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.927614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.927614 (E_RNA)
where:
Base-Base interactions energy: -611.355
where: short stacking energy: -249.523
Base-Backbone interact. energy: -1.122
local terms energy: -236.450190
where:
bonds (distance) C4'-P energy: -29.711
bonds (distance) P-C4' energy: -52.789
flat angles C4'-P-C4' energy: -53.521
flat angles P-C4'-P energy: -39.342
tors. eta vs tors. theta energy: -61.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -815.213822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.213822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.213822 (E_RNA)
where:
Base-Base interactions energy: -552.312
where: short stacking energy: -238.366
Base-Backbone interact. energy: 0.644
local terms energy: -263.546269
where:
bonds (distance) C4'-P energy: -48.514
bonds (distance) P-C4' energy: -42.166
flat angles C4'-P-C4' energy: -59.563
flat angles P-C4'-P energy: -42.263
tors. eta vs tors. theta energy: -71.039
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: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -791.575362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.575362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.575362 (E_RNA)
where:
Base-Base interactions energy: -546.429
where: short stacking energy: -220.334
Base-Backbone interact. energy: -0.932
local terms energy: -244.214372
where:
bonds (distance) C4'-P energy: -43.059
bonds (distance) P-C4' energy: -54.000
flat angles C4'-P-C4' energy: -53.604
flat angles P-C4'-P energy: -26.720
tors. eta vs tors. theta energy: -66.831
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: 327
Temperature: 1.200000
Total energy: -679.286506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.286506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.286506 (E_RNA)
where:
Base-Base interactions energy: -456.211
where: short stacking energy: -203.216
Base-Backbone interact. energy: 0.249
local terms energy: -223.324677
where:
bonds (distance) C4'-P energy: -44.071
bonds (distance) P-C4' energy: -56.732
flat angles C4'-P-C4' energy: -42.589
flat angles P-C4'-P energy: -31.939
tors. eta vs tors. theta energy: -47.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -672.445325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.445325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.445325 (E_RNA)
where:
Base-Base interactions energy: -454.522
where: short stacking energy: -198.103
Base-Backbone interact. energy: 1.506
local terms energy: -219.429387
where:
bonds (distance) C4'-P energy: -44.494
bonds (distance) P-C4' energy: -50.566
flat angles C4'-P-C4' energy: -44.389
flat angles P-C4'-P energy: -28.510
tors. eta vs tors. theta energy: -51.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -597.831329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.831329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.831329 (E_RNA)
where:
Base-Base interactions energy: -399.897
where: short stacking energy: -170.827
Base-Backbone interact. energy: -0.913
local terms energy: -197.021328
where:
bonds (distance) C4'-P energy: -39.027
bonds (distance) P-C4' energy: -53.142
flat angles C4'-P-C4' energy: -51.142
flat angles P-C4'-P energy: -24.639
tors. eta vs tors. theta energy: -29.072
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: 3
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -528.461022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.461022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.461022 (E_RNA)
where:
Base-Base interactions energy: -344.505
where: short stacking energy: -161.983
Base-Backbone interact. energy: -0.863
local terms energy: -183.093119
where:
bonds (distance) C4'-P energy: -33.510
bonds (distance) P-C4' energy: -43.375
flat angles C4'-P-C4' energy: -41.402
flat angles P-C4'-P energy: -29.878
tors. eta vs tors. theta energy: -34.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -952.783129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.783129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.783129 (E_RNA)
where:
Base-Base interactions energy: -667.983
where: short stacking energy: -282.289
Base-Backbone interact. energy: 0.604
local terms energy: -285.404241
where:
bonds (distance) C4'-P energy: -55.126
bonds (distance) P-C4' energy: -53.158
flat angles C4'-P-C4' energy: -58.447
flat angles P-C4'-P energy: -43.879
tors. eta vs tors. theta energy: -74.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -941.353402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.353402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.353402 (E_RNA)
where:
Base-Base interactions energy: -659.855
where: short stacking energy: -267.865
Base-Backbone interact. energy: -0.165
local terms energy: -281.333323
where:
bonds (distance) C4'-P energy: -42.522
bonds (distance) P-C4' energy: -57.330
flat angles C4'-P-C4' energy: -62.965
flat angles P-C4'-P energy: -45.246
tors. eta vs tors. theta energy: -73.269
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: 3, replica: 10
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -916.301334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.301334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.301334 (E_RNA)
where:
Base-Base interactions energy: -634.990
where: short stacking energy: -246.141
Base-Backbone interact. energy: -0.121
local terms energy: -281.190476
where:
bonds (distance) C4'-P energy: -54.584
bonds (distance) P-C4' energy: -60.741
flat angles C4'-P-C4' energy: -58.491
flat angles P-C4'-P energy: -40.069
tors. eta vs tors. theta energy: -67.305
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: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -860.319824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.319824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.319824 (E_RNA)
where:
Base-Base interactions energy: -617.180
where: short stacking energy: -252.809
Base-Backbone interact. energy: -1.101
local terms energy: -242.038222
where:
bonds (distance) C4'-P energy: -51.622
bonds (distance) P-C4' energy: -37.777
flat angles C4'-P-C4' energy: -52.042
flat angles P-C4'-P energy: -33.223
tors. eta vs tors. theta energy: -67.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -831.286451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.286451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.286451 (E_RNA)
where:
Base-Base interactions energy: -567.985
where: short stacking energy: -236.992
Base-Backbone interact. energy: -0.503
local terms energy: -262.797871
where:
bonds (distance) C4'-P energy: -50.990
bonds (distance) P-C4' energy: -52.117
flat angles C4'-P-C4' energy: -57.937
flat angles P-C4'-P energy: -28.527
tors. eta vs tors. theta energy: -73.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -759.714090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.714090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.714090 (E_RNA)
where:
Base-Base interactions energy: -532.071
where: short stacking energy: -226.569
Base-Backbone interact. energy: -0.463
local terms energy: -227.180557
where:
bonds (distance) C4'-P energy: -43.187
bonds (distance) P-C4' energy: -40.458
flat angles C4'-P-C4' energy: -53.927
flat angles P-C4'-P energy: -24.638
tors. eta vs tors. theta energy: -64.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -695.823649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.823649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.823649 (E_RNA)
where:
Base-Base interactions energy: -473.524
where: short stacking energy: -218.897
Base-Backbone interact. energy: -1.976
local terms energy: -220.323685
where:
bonds (distance) C4'-P energy: -33.461
bonds (distance) P-C4' energy: -48.413
flat angles C4'-P-C4' energy: -41.587
flat angles P-C4'-P energy: -33.017
tors. eta vs tors. theta energy: -63.847
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: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -679.265483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.265483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.265483 (E_RNA)
where:
Base-Base interactions energy: -460.784
where: short stacking energy: -203.023
Base-Backbone interact. energy: -0.688
local terms energy: -217.792908
where:
bonds (distance) C4'-P energy: -39.717
bonds (distance) P-C4' energy: -47.971
flat angles C4'-P-C4' energy: -51.603
flat angles P-C4'-P energy: -26.799
tors. eta vs tors. theta energy: -51.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -547.035701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.035701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.035701 (E_RNA)
where:
Base-Base interactions energy: -358.796
where: short stacking energy: -146.895
Base-Backbone interact. energy: -0.825
local terms energy: -187.414092
where:
bonds (distance) C4'-P energy: -32.075
bonds (distance) P-C4' energy: -38.688
flat angles C4'-P-C4' energy: -57.854
flat angles P-C4'-P energy: -33.485
tors. eta vs tors. theta energy: -25.312
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: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -546.336743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.336743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.336743 (E_RNA)
where:
Base-Base interactions energy: -367.967
where: short stacking energy: -144.337
Base-Backbone interact. energy: -1.544
local terms energy: -176.825655
where:
bonds (distance) C4'-P energy: -40.291
bonds (distance) P-C4' energy: -47.018
flat angles C4'-P-C4' energy: -37.437
flat angles P-C4'-P energy: -30.316
tors. eta vs tors. theta energy: -21.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -957.481101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.481101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.481101 (E_RNA)
where:
Base-Base interactions energy: -655.804
where: short stacking energy: -279.509
Base-Backbone interact. energy: -1.129
local terms energy: -300.547590
where:
bonds (distance) C4'-P energy: -51.060
bonds (distance) P-C4' energy: -56.745
flat angles C4'-P-C4' energy: -61.619
flat angles P-C4'-P energy: -49.752
tors. eta vs tors. theta energy: -81.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -933.022386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.022386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.022386 (E_RNA)
where:
Base-Base interactions energy: -674.383
where: short stacking energy: -263.962
Base-Backbone interact. energy: -0.916
local terms energy: -257.723538
where:
bonds (distance) C4'-P energy: -36.461
bonds (distance) P-C4' energy: -62.650
flat angles C4'-P-C4' energy: -53.170
flat angles P-C4'-P energy: -42.296
tors. eta vs tors. theta energy: -63.146
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: 10
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -901.344165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.344165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.344165 (E_RNA)
where:
Base-Base interactions energy: -619.633
where: short stacking energy: -238.071
Base-Backbone interact. energy: 2.533
local terms energy: -284.243949
where:
bonds (distance) C4'-P energy: -48.828
bonds (distance) P-C4' energy: -57.076
flat angles C4'-P-C4' energy: -62.520
flat angles P-C4'-P energy: -44.344
tors. eta vs tors. theta energy: -71.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -851.878803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.878803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.878803 (E_RNA)
where:
Base-Base interactions energy: -576.773
where: short stacking energy: -243.568
Base-Backbone interact. energy: -2.647
local terms energy: -272.459570
where:
bonds (distance) C4'-P energy: -53.474
bonds (distance) P-C4' energy: -54.362
flat angles C4'-P-C4' energy: -59.345
flat angles P-C4'-P energy: -36.060
tors. eta vs tors. theta energy: -69.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -856.579736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.579736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.579736 (E_RNA)
where:
Base-Base interactions energy: -585.846
where: short stacking energy: -235.991
Base-Backbone interact. energy: -0.378
local terms energy: -270.355649
where:
bonds (distance) C4'-P energy: -53.595
bonds (distance) P-C4' energy: -59.857
flat angles C4'-P-C4' energy: -55.173
flat angles P-C4'-P energy: -34.986
tors. eta vs tors. theta energy: -66.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -781.841812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.841812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.841812 (E_RNA)
where:
Base-Base interactions energy: -521.689
where: short stacking energy: -214.255
Base-Backbone interact. energy: -1.297
local terms energy: -258.855748
where:
bonds (distance) C4'-P energy: -44.850
bonds (distance) P-C4' energy: -57.851
flat angles C4'-P-C4' energy: -59.967
flat angles P-C4'-P energy: -36.535
tors. eta vs tors. theta energy: -59.653
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: 7
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -738.535405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.535405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.535405 (E_RNA)
where:
Base-Base interactions energy: -496.304
where: short stacking energy: -205.862
Base-Backbone interact. energy: -1.774
local terms energy: -240.457530
where:
bonds (distance) C4'-P energy: -42.830
bonds (distance) P-C4' energy: -51.008
flat angles C4'-P-C4' energy: -52.518
flat angles P-C4'-P energy: -36.813
tors. eta vs tors. theta energy: -57.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -640.871846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.871846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.871846 (E_RNA)
where:
Base-Base interactions energy: -435.431
where: short stacking energy: -178.065
Base-Backbone interact. energy: -1.061
local terms energy: -204.379650
where:
bonds (distance) C4'-P energy: -40.543
bonds (distance) P-C4' energy: -47.386
flat angles C4'-P-C4' energy: -52.079
flat angles P-C4'-P energy: -27.778
tors. eta vs tors. theta energy: -36.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -551.035501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.035501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.035501 (E_RNA)
where:
Base-Base interactions energy: -356.256
where: short stacking energy: -146.281
Base-Backbone interact. energy: -0.631
local terms energy: -194.149038
where:
bonds (distance) C4'-P energy: -40.740
bonds (distance) P-C4' energy: -52.587
flat angles C4'-P-C4' energy: -39.826
flat angles P-C4'-P energy: -30.813
tors. eta vs tors. theta energy: -30.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -609.843087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.843087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.843087 (E_RNA)
where:
Base-Base interactions energy: -418.498
where: short stacking energy: -186.739
Base-Backbone interact. energy: -0.315
local terms energy: -191.030174
where:
bonds (distance) C4'-P energy: -49.805
bonds (distance) P-C4' energy: -35.569
flat angles C4'-P-C4' energy: -41.494
flat angles P-C4'-P energy: -22.710
tors. eta vs tors. theta energy: -41.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -960.606241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.606241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.606241 (E_RNA)
where:
Base-Base interactions energy: -669.231
where: short stacking energy: -279.355
Base-Backbone interact. energy: -2.604
local terms energy: -288.771675
where:
bonds (distance) C4'-P energy: -54.505
bonds (distance) P-C4' energy: -58.922
flat angles C4'-P-C4' energy: -59.294
flat angles P-C4'-P energy: -40.274
tors. eta vs tors. theta energy: -75.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -972.615272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.615272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.615272 (E_RNA)
where:
Base-Base interactions energy: -684.270
where: short stacking energy: -297.932
Base-Backbone interact. energy: -1.703
local terms energy: -286.642437
where:
bonds (distance) C4'-P energy: -47.857
bonds (distance) P-C4' energy: -52.625
flat angles C4'-P-C4' energy: -65.604
flat angles P-C4'-P energy: -39.785
tors. eta vs tors. theta energy: -80.772
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: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -843.515371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.515371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.515371 (E_RNA)
where:
Base-Base interactions energy: -593.423
where: short stacking energy: -256.008
Base-Backbone interact. energy: -1.159
local terms energy: -248.932788
where:
bonds (distance) C4'-P energy: -54.333
bonds (distance) P-C4' energy: -39.378
flat angles C4'-P-C4' energy: -48.787
flat angles P-C4'-P energy: -42.022
tors. eta vs tors. theta energy: -64.412
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: 10
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -853.078486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.078486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.078486 (E_RNA)
where:
Base-Base interactions energy: -602.228
where: short stacking energy: -243.447
Base-Backbone interact. energy: -0.384
local terms energy: -250.465733
where:
bonds (distance) C4'-P energy: -50.390
bonds (distance) P-C4' energy: -40.264
flat angles C4'-P-C4' energy: -54.181
flat angles P-C4'-P energy: -40.612
tors. eta vs tors. theta energy: -65.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -878.829727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.829727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.829727 (E_RNA)
where:
Base-Base interactions energy: -614.977
where: short stacking energy: -237.749
Base-Backbone interact. energy: -0.523
local terms energy: -263.329955
where:
bonds (distance) C4'-P energy: -50.344
bonds (distance) P-C4' energy: -57.836
flat angles C4'-P-C4' energy: -58.984
flat angles P-C4'-P energy: -37.731
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: 6, replica: 6
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -808.908782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.908782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.908782 (E_RNA)
where:
Base-Base interactions energy: -560.607
where: short stacking energy: -233.527
Base-Backbone interact. energy: -1.110
local terms energy: -247.191853
where:
bonds (distance) C4'-P energy: -39.271
bonds (distance) P-C4' energy: -48.740
flat angles C4'-P-C4' energy: -52.109
flat angles P-C4'-P energy: -44.695
tors. eta vs tors. theta energy: -62.377
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: 7, replica: 7
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -705.508435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.508435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.508435 (E_RNA)
where:
Base-Base interactions energy: -476.058
where: short stacking energy: -209.358
Base-Backbone interact. energy: -0.661
local terms energy: -228.788901
where:
bonds (distance) C4'-P energy: -38.918
bonds (distance) P-C4' energy: -44.743
flat angles C4'-P-C4' energy: -61.954
flat angles P-C4'-P energy: -35.995
tors. eta vs tors. theta energy: -47.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -648.091770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.091770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.091770 (E_RNA)
where:
Base-Base interactions energy: -429.568
where: short stacking energy: -195.337
Base-Backbone interact. energy: -0.025
local terms energy: -218.498725
where:
bonds (distance) C4'-P energy: -26.270
bonds (distance) P-C4' energy: -45.134
flat angles C4'-P-C4' energy: -58.667
flat angles P-C4'-P energy: -38.133
tors. eta vs tors. theta energy: -50.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -615.135540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.135540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.135540 (E_RNA)
where:
Base-Base interactions energy: -408.835
where: short stacking energy: -181.017
Base-Backbone interact. energy: -2.257
local terms energy: -204.043682
where:
bonds (distance) C4'-P energy: -34.049
bonds (distance) P-C4' energy: -49.444
flat angles C4'-P-C4' energy: -46.153
flat angles P-C4'-P energy: -38.171
tors. eta vs tors. theta energy: -36.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -459.499476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.499476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.499476 (E_RNA)
where:
Base-Base interactions energy: -292.872
where: short stacking energy: -127.092
Base-Backbone interact. energy: -0.774
local terms energy: -165.852540
where:
bonds (distance) C4'-P energy: -35.803
bonds (distance) P-C4' energy: -39.440
flat angles C4'-P-C4' energy: -51.321
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -25.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -972.372968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.372968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.372968 (E_RNA)
where:
Base-Base interactions energy: -674.806
where: short stacking energy: -273.320
Base-Backbone interact. energy: -1.808
local terms energy: -295.759429
where:
bonds (distance) C4'-P energy: -46.181
bonds (distance) P-C4' energy: -55.665
flat angles C4'-P-C4' energy: -64.578
flat angles P-C4'-P energy: -50.986
tors. eta vs tors. theta energy: -78.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -945.022507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.022507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.022507 (E_RNA)
where:
Base-Base interactions energy: -658.293
where: short stacking energy: -266.399
Base-Backbone interact. energy: -2.649
local terms energy: -284.080224
where:
bonds (distance) C4'-P energy: -48.894
bonds (distance) P-C4' energy: -52.474
flat angles C4'-P-C4' energy: -58.560
flat angles P-C4'-P energy: -43.433
tors. eta vs tors. theta energy: -80.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -850.373820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.373820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.373820 (E_RNA)
where:
Base-Base interactions energy: -588.092
where: short stacking energy: -235.198
Base-Backbone interact. energy: -2.593
local terms energy: -259.688698
where:
bonds (distance) C4'-P energy: -53.845
bonds (distance) P-C4' energy: -51.067
flat angles C4'-P-C4' energy: -53.716
flat angles P-C4'-P energy: -40.932
tors. eta vs tors. theta energy: -60.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -872.769801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.769801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.769801 (E_RNA)
where:
Base-Base interactions energy: -604.857
where: short stacking energy: -254.543
Base-Backbone interact. energy: -1.512
local terms energy: -266.400489
where:
bonds (distance) C4'-P energy: -46.475
bonds (distance) P-C4' energy: -51.301
flat angles C4'-P-C4' energy: -57.796
flat angles P-C4'-P energy: -42.959
tors. eta vs tors. theta energy: -67.869
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: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -901.426611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.426611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.426611 (E_RNA)
where:
Base-Base interactions energy: -634.874
where: short stacking energy: -260.609
Base-Backbone interact. energy: -0.803
local terms energy: -265.750482
where:
bonds (distance) C4'-P energy: -46.442
bonds (distance) P-C4' energy: -52.776
flat angles C4'-P-C4' energy: -47.830
flat angles P-C4'-P energy: -36.274
tors. eta vs tors. theta energy: -82.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -766.688783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.688783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.688783 (E_RNA)
where:
Base-Base interactions energy: -522.594
where: short stacking energy: -209.605
Base-Backbone interact. energy: 1.311
local terms energy: -245.405315
where:
bonds (distance) C4'-P energy: -43.004
bonds (distance) P-C4' energy: -54.413
flat angles C4'-P-C4' energy: -60.023
flat angles P-C4'-P energy: -30.596
tors. eta vs tors. theta energy: -57.370
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: 7
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -724.255709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.255709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.255709 (E_RNA)
where:
Base-Base interactions energy: -492.009
where: short stacking energy: -210.115
Base-Backbone interact. energy: -0.642
local terms energy: -231.605091
where:
bonds (distance) C4'-P energy: -38.626
bonds (distance) P-C4' energy: -39.518
flat angles C4'-P-C4' energy: -57.358
flat angles P-C4'-P energy: -40.118
tors. eta vs tors. theta energy: -55.985
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: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -638.444476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.444476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.444476 (E_RNA)
where:
Base-Base interactions energy: -408.653
where: short stacking energy: -168.389
Base-Backbone interact. energy: -1.691
local terms energy: -228.100013
where:
bonds (distance) C4'-P energy: -51.491
bonds (distance) P-C4' energy: -46.541
flat angles C4'-P-C4' energy: -51.017
flat angles P-C4'-P energy: -38.536
tors. eta vs tors. theta energy: -40.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -628.215859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.215859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.215859 (E_RNA)
where:
Base-Base interactions energy: -420.229
where: short stacking energy: -184.808
Base-Backbone interact. energy: 0.295
local terms energy: -208.281780
where:
bonds (distance) C4'-P energy: -43.704
bonds (distance) P-C4' energy: -50.522
flat angles C4'-P-C4' energy: -49.181
flat angles P-C4'-P energy: -26.102
tors. eta vs tors. theta energy: -38.772
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: 3
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -440.273448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.273448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.273448 (E_RNA)
where:
Base-Base interactions energy: -258.580
where: short stacking energy: -121.147
Base-Backbone interact. energy: 3.440
local terms energy: -185.132739
where:
bonds (distance) C4'-P energy: -46.497
bonds (distance) P-C4' energy: -46.349
flat angles C4'-P-C4' energy: -39.175
flat angles P-C4'-P energy: -35.735
tors. eta vs tors. theta energy: -17.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -963.658279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.658279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.658279 (E_RNA)
where:
Base-Base interactions energy: -674.639
where: short stacking energy: -278.450
Base-Backbone interact. energy: -1.795
local terms energy: -287.224150
where:
bonds (distance) C4'-P energy: -50.308
bonds (distance) P-C4' energy: -53.644
flat angles C4'-P-C4' energy: -60.187
flat angles P-C4'-P energy: -42.062
tors. eta vs tors. theta energy: -81.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -937.036696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.036696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.036696 (E_RNA)
where:
Base-Base interactions energy: -648.192
where: short stacking energy: -264.614
Base-Backbone interact. energy: -1.410
local terms energy: -287.435070
where:
bonds (distance) C4'-P energy: -53.265
bonds (distance) P-C4' energy: -54.820
flat angles C4'-P-C4' energy: -60.131
flat angles P-C4'-P energy: -38.803
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: 3, replica: 10
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -872.536766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.536766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.536766 (E_RNA)
where:
Base-Base interactions energy: -601.465
where: short stacking energy: -254.275
Base-Backbone interact. energy: -1.294
local terms energy: -269.777576
where:
bonds (distance) C4'-P energy: -53.133
bonds (distance) P-C4' energy: -59.959
flat angles C4'-P-C4' energy: -57.322
flat angles P-C4'-P energy: -37.183
tors. eta vs tors. theta energy: -62.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -883.782915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.782915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.782915 (E_RNA)
where:
Base-Base interactions energy: -610.132
where: short stacking energy: -246.000
Base-Backbone interact. energy: -1.519
local terms energy: -272.132202
where:
bonds (distance) C4'-P energy: -59.023
bonds (distance) P-C4' energy: -46.693
flat angles C4'-P-C4' energy: -49.644
flat angles P-C4'-P energy: -45.657
tors. eta vs tors. theta energy: -71.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -887.512866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.512866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.512866 (E_RNA)
where:
Base-Base interactions energy: -627.344
where: short stacking energy: -251.647
Base-Backbone interact. energy: -0.713
local terms energy: -259.455298
where:
bonds (distance) C4'-P energy: -55.053
bonds (distance) P-C4' energy: -44.839
flat angles C4'-P-C4' energy: -55.579
flat angles P-C4'-P energy: -37.446
tors. eta vs tors. theta energy: -66.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -779.260233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.260233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.260233 (E_RNA)
where:
Base-Base interactions energy: -541.674
where: short stacking energy: -235.772
Base-Backbone interact. energy: 0.353
local terms energy: -237.939935
where:
bonds (distance) C4'-P energy: -43.047
bonds (distance) P-C4' energy: -47.030
flat angles C4'-P-C4' energy: -61.160
flat angles P-C4'-P energy: -31.862
tors. eta vs tors. theta energy: -54.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -696.458576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.458576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.458576 (E_RNA)
where:
Base-Base interactions energy: -483.769
where: short stacking energy: -199.956
Base-Backbone interact. energy: 1.920
local terms energy: -214.609215
where:
bonds (distance) C4'-P energy: -46.315
bonds (distance) P-C4' energy: -51.991
flat angles C4'-P-C4' energy: -40.078
flat angles P-C4'-P energy: -30.001
tors. eta vs tors. theta energy: -46.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -631.575800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.575800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.575800 (E_RNA)
where:
Base-Base interactions energy: -423.458
where: short stacking energy: -173.115
Base-Backbone interact. energy: -0.600
local terms energy: -207.517880
where:
bonds (distance) C4'-P energy: -48.645
bonds (distance) P-C4' energy: -48.058
flat angles C4'-P-C4' energy: -48.290
flat angles P-C4'-P energy: -26.810
tors. eta vs tors. theta energy: -35.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -606.997718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.997718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.997718 (E_RNA)
where:
Base-Base interactions energy: -396.989
where: short stacking energy: -168.059
Base-Backbone interact. energy: -0.489
local terms energy: -209.520327
where:
bonds (distance) C4'-P energy: -35.798
bonds (distance) P-C4' energy: -45.138
flat angles C4'-P-C4' energy: -54.548
flat angles P-C4'-P energy: -31.865
tors. eta vs tors. theta energy: -42.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -452.324038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.324038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.324038 (E_RNA)
where:
Base-Base interactions energy: -273.582
where: short stacking energy: -116.205
Base-Backbone interact. energy: -1.582
local terms energy: -177.160278
where:
bonds (distance) C4'-P energy: -43.598
bonds (distance) P-C4' energy: -43.157
flat angles C4'-P-C4' energy: -37.826
flat angles P-C4'-P energy: -32.740
tors. eta vs tors. theta energy: -19.839
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: 1, replica: 5
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -952.740257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.740257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.740257 (E_RNA)
where:
Base-Base interactions energy: -679.707
where: short stacking energy: -268.613
Base-Backbone interact. energy: -0.695
local terms energy: -272.338568
where:
bonds (distance) C4'-P energy: -55.422
bonds (distance) P-C4' energy: -54.939
flat angles C4'-P-C4' energy: -55.041
flat angles P-C4'-P energy: -38.864
tors. eta vs tors. theta energy: -68.074
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: 333
Temperature: 0.950000
Total energy: -953.120239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.120239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.120239 (E_RNA)
where:
Base-Base interactions energy: -663.805
where: short stacking energy: -279.055
Base-Backbone interact. energy: -2.707
local terms energy: -286.607842
where:
bonds (distance) C4'-P energy: -46.401
bonds (distance) P-C4' energy: -53.975
flat angles C4'-P-C4' energy: -64.282
flat angles P-C4'-P energy: -40.550
tors. eta vs tors. theta energy: -81.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -867.884455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.884455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.884455 (E_RNA)
where:
Base-Base interactions energy: -616.882
where: short stacking energy: -232.358
Base-Backbone interact. energy: 0.467
local terms energy: -251.468764
where:
bonds (distance) C4'-P energy: -48.372
bonds (distance) P-C4' energy: -56.867
flat angles C4'-P-C4' energy: -57.846
flat angles P-C4'-P energy: -31.459
tors. eta vs tors. theta energy: -56.925
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: 333
Temperature: 1.050000
Total energy: -897.095458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.095458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.095458 (E_RNA)
where:
Base-Base interactions energy: -649.214
where: short stacking energy: -272.495
Base-Backbone interact. energy: -0.252
local terms energy: -247.628816
where:
bonds (distance) C4'-P energy: -47.386
bonds (distance) P-C4' energy: -44.598
flat angles C4'-P-C4' energy: -53.582
flat angles P-C4'-P energy: -34.090
tors. eta vs tors. theta energy: -67.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -862.820493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.820493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.820493 (E_RNA)
where:
Base-Base interactions energy: -596.252
where: short stacking energy: -244.865
Base-Backbone interact. energy: -0.910
local terms energy: -265.658079
where:
bonds (distance) C4'-P energy: -54.948
bonds (distance) P-C4' energy: -46.113
flat angles C4'-P-C4' energy: -54.750
flat angles P-C4'-P energy: -38.238
tors. eta vs tors. theta energy: -71.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -782.262172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.262172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.262172 (E_RNA)
where:
Base-Base interactions energy: -553.916
where: short stacking energy: -224.425
Base-Backbone interact. energy: -0.869
local terms energy: -227.476828
where:
bonds (distance) C4'-P energy: -47.207
bonds (distance) P-C4' energy: -44.973
flat angles C4'-P-C4' energy: -41.551
flat angles P-C4'-P energy: -35.993
tors. eta vs tors. theta energy: -57.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -710.007358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.007358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.007358 (E_RNA)
where:
Base-Base interactions energy: -475.022
where: short stacking energy: -200.639
Base-Backbone interact. energy: 2.258
local terms energy: -237.244119
where:
bonds (distance) C4'-P energy: -52.196
bonds (distance) P-C4' energy: -53.318
flat angles C4'-P-C4' energy: -46.965
flat angles P-C4'-P energy: -27.350
tors. eta vs tors. theta energy: -57.415
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: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -627.962603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.962603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.962603 (E_RNA)
where:
Base-Base interactions energy: -415.258
where: short stacking energy: -181.267
Base-Backbone interact. energy: -0.413
local terms energy: -212.291908
where:
bonds (distance) C4'-P energy: -51.686
bonds (distance) P-C4' energy: -32.459
flat angles C4'-P-C4' energy: -45.240
flat angles P-C4'-P energy: -36.421
tors. eta vs tors. theta energy: -46.486
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: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -586.564664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.564664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.564664 (E_RNA)
where:
Base-Base interactions energy: -392.432
where: short stacking energy: -168.362
Base-Backbone interact. energy: -0.451
local terms energy: -193.680947
where:
bonds (distance) C4'-P energy: -40.123
bonds (distance) P-C4' energy: -45.664
flat angles C4'-P-C4' energy: -50.303
flat angles P-C4'-P energy: -28.338
tors. eta vs tors. theta energy: -29.254
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: 3
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -465.140981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.140981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.140981 (E_RNA)
where:
Base-Base interactions energy: -287.797
where: short stacking energy: -122.957
Base-Backbone interact. energy: 0.571
local terms energy: -177.914804
where:
bonds (distance) C4'-P energy: -43.661
bonds (distance) P-C4' energy: -48.459
flat angles C4'-P-C4' energy: -46.666
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: -23.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -968.815261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.815261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.815261 (E_RNA)
where:
Base-Base interactions energy: -681.248
where: short stacking energy: -277.730
Base-Backbone interact. energy: -1.066
local terms energy: -286.501425
where:
bonds (distance) C4'-P energy: -44.761
bonds (distance) P-C4' energy: -57.839
flat angles C4'-P-C4' energy: -61.286
flat angles P-C4'-P energy: -44.651
tors. eta vs tors. theta energy: -77.964
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: 5
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -928.090846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.090846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.090846 (E_RNA)
where:
Base-Base interactions energy: -643.230
where: short stacking energy: -254.073
Base-Backbone interact. energy: -2.027
local terms energy: -282.833977
where:
bonds (distance) C4'-P energy: -58.205
bonds (distance) P-C4' energy: -59.198
flat angles C4'-P-C4' energy: -59.360
flat angles P-C4'-P energy: -36.066
tors. eta vs tors. theta energy: -70.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -918.833788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.833788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.833788 (E_RNA)
where:
Base-Base interactions energy: -637.766
where: short stacking energy: -258.660
Base-Backbone interact. energy: -0.916
local terms energy: -280.151738
where:
bonds (distance) C4'-P energy: -49.988
bonds (distance) P-C4' energy: -58.337
flat angles C4'-P-C4' energy: -64.556
flat angles P-C4'-P energy: -36.780
tors. eta vs tors. theta energy: -70.490
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: 10
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -853.460429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.460429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.460429 (E_RNA)
where:
Base-Base interactions energy: -593.922
where: short stacking energy: -233.300
Base-Backbone interact. energy: -1.983
local terms energy: -257.555448
where:
bonds (distance) C4'-P energy: -41.267
bonds (distance) P-C4' energy: -57.035
flat angles C4'-P-C4' energy: -60.124
flat angles P-C4'-P energy: -40.506
tors. eta vs tors. theta energy: -58.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -833.714315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.714315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.714315 (E_RNA)
where:
Base-Base interactions energy: -578.955
where: short stacking energy: -241.481
Base-Backbone interact. energy: -0.349
local terms energy: -254.410006
where:
bonds (distance) C4'-P energy: -47.802
bonds (distance) P-C4' energy: -59.508
flat angles C4'-P-C4' energy: -49.591
flat angles P-C4'-P energy: -33.476
tors. eta vs tors. theta energy: -64.032
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: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -779.622868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.622868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.622868 (E_RNA)
where:
Base-Base interactions energy: -532.091
where: short stacking energy: -230.637
Base-Backbone interact. energy: 0.039
local terms energy: -247.570362
where:
bonds (distance) C4'-P energy: -49.687
bonds (distance) P-C4' energy: -51.881
flat angles C4'-P-C4' energy: -47.795
flat angles P-C4'-P energy: -37.464
tors. eta vs tors. theta energy: -60.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -721.408211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.408211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.408211 (E_RNA)
where:
Base-Base interactions energy: -498.313
where: short stacking energy: -199.573
Base-Backbone interact. energy: -0.792
local terms energy: -222.303563
where:
bonds (distance) C4'-P energy: -42.607
bonds (distance) P-C4' energy: -53.725
flat angles C4'-P-C4' energy: -48.198
flat angles P-C4'-P energy: -37.778
tors. eta vs tors. theta energy: -39.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -635.551974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.551974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.551974 (E_RNA)
where:
Base-Base interactions energy: -429.349
where: short stacking energy: -179.915
Base-Backbone interact. energy: -0.359
local terms energy: -205.843920
where:
bonds (distance) C4'-P energy: -47.349
bonds (distance) P-C4' energy: -53.833
flat angles C4'-P-C4' energy: -47.360
flat angles P-C4'-P energy: -17.762
tors. eta vs tors. theta energy: -39.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -611.908483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.908483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.908483 (E_RNA)
where:
Base-Base interactions energy: -414.664
where: short stacking energy: -170.918
Base-Backbone interact. energy: 0.418
local terms energy: -197.662806
where:
bonds (distance) C4'-P energy: -37.898
bonds (distance) P-C4' energy: -38.146
flat angles C4'-P-C4' energy: -49.902
flat angles P-C4'-P energy: -39.627
tors. eta vs tors. theta energy: -32.091
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: 3
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -536.751263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.751263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.751263 (E_RNA)
where:
Base-Base interactions energy: -339.480
where: short stacking energy: -141.883
Base-Backbone interact. energy: -0.593
local terms energy: -196.678155
where:
bonds (distance) C4'-P energy: -46.592
bonds (distance) P-C4' energy: -42.571
flat angles C4'-P-C4' energy: -44.478
flat angles P-C4'-P energy: -27.309
tors. eta vs tors. theta energy: -35.728
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: 335
Temperature: 0.900000
Total energy: -981.459366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.459366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.459366 (E_RNA)
where:
Base-Base interactions energy: -674.083
where: short stacking energy: -267.642
Base-Backbone interact. energy: -1.078
local terms energy: -306.298808
where:
bonds (distance) C4'-P energy: -59.844
bonds (distance) P-C4' energy: -53.347
flat angles C4'-P-C4' energy: -62.895
flat angles P-C4'-P energy: -46.767
tors. eta vs tors. theta energy: -83.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -934.247984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.247984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.247984 (E_RNA)
where:
Base-Base interactions energy: -674.042
where: short stacking energy: -265.132
Base-Backbone interact. energy: -0.312
local terms energy: -259.894034
where:
bonds (distance) C4'-P energy: -54.369
bonds (distance) P-C4' energy: -42.780
flat angles C4'-P-C4' energy: -47.814
flat angles P-C4'-P energy: -43.954
tors. eta vs tors. theta energy: -70.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -903.615914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.615914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.615914 (E_RNA)
where:
Base-Base interactions energy: -626.228
where: short stacking energy: -256.481
Base-Backbone interact. energy: 1.728
local terms energy: -279.115350
where:
bonds (distance) C4'-P energy: -62.442
bonds (distance) P-C4' energy: -56.234
flat angles C4'-P-C4' energy: -51.319
flat angles P-C4'-P energy: -41.288
tors. eta vs tors. theta energy: -67.832
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: 10
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -835.360571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.360571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.360571 (E_RNA)
where:
Base-Base interactions energy: -585.156
where: short stacking energy: -227.725
Base-Backbone interact. energy: -0.866
local terms energy: -249.338420
where:
bonds (distance) C4'-P energy: -54.644
bonds (distance) P-C4' energy: -52.544
flat angles C4'-P-C4' energy: -45.562
flat angles P-C4'-P energy: -38.416
tors. eta vs tors. theta energy: -58.172
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: 2
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -793.359241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.359241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.359241 (E_RNA)
where:
Base-Base interactions energy: -540.654
where: short stacking energy: -232.015
Base-Backbone interact. energy: 1.101
local terms energy: -253.806769
where:
bonds (distance) C4'-P energy: -45.838
bonds (distance) P-C4' energy: -49.145
flat angles C4'-P-C4' energy: -51.712
flat angles P-C4'-P energy: -41.278
tors. eta vs tors. theta energy: -65.834
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: 7
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -762.659642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.659642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.659642 (E_RNA)
where:
Base-Base interactions energy: -505.407
where: short stacking energy: -207.344
Base-Backbone interact. energy: -0.305
local terms energy: -256.947448
where:
bonds (distance) C4'-P energy: -54.364
bonds (distance) P-C4' energy: -52.921
flat angles C4'-P-C4' energy: -56.889
flat angles P-C4'-P energy: -32.712
tors. eta vs tors. theta energy: -60.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -747.551884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.551884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.551884 (E_RNA)
where:
Base-Base interactions energy: -512.808
where: short stacking energy: -198.273
Base-Backbone interact. energy: -0.615
local terms energy: -234.128837
where:
bonds (distance) C4'-P energy: -44.643
bonds (distance) P-C4' energy: -44.646
flat angles C4'-P-C4' energy: -61.041
flat angles P-C4'-P energy: -31.945
tors. eta vs tors. theta energy: -51.854
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: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -634.867872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.867872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.867872 (E_RNA)
where:
Base-Base interactions energy: -420.947
where: short stacking energy: -182.667
Base-Backbone interact. energy: -0.027
local terms energy: -213.893902
where:
bonds (distance) C4'-P energy: -43.661
bonds (distance) P-C4' energy: -42.880
flat angles C4'-P-C4' energy: -41.463
flat angles P-C4'-P energy: -34.116
tors. eta vs tors. theta energy: -51.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -605.097880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.097880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.097880 (E_RNA)
where:
Base-Base interactions energy: -397.746
where: short stacking energy: -169.748
Base-Backbone interact. energy: -0.756
local terms energy: -206.595446
where:
bonds (distance) C4'-P energy: -36.826
bonds (distance) P-C4' energy: -47.965
flat angles C4'-P-C4' energy: -53.330
flat angles P-C4'-P energy: -36.367
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: 3
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -529.204669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.204669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.204669 (E_RNA)
where:
Base-Base interactions energy: -347.136
where: short stacking energy: -155.802
Base-Backbone interact. energy: -0.007
local terms energy: -182.062524
where:
bonds (distance) C4'-P energy: -40.923
bonds (distance) P-C4' energy: -40.629
flat angles C4'-P-C4' energy: -37.076
flat angles P-C4'-P energy: -32.422
tors. eta vs tors. theta energy: -31.012
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: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -983.633715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.633715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.633715 (E_RNA)
where:
Base-Base interactions energy: -688.696
where: short stacking energy: -278.210
Base-Backbone interact. energy: 0.365
local terms energy: -295.302365
where:
bonds (distance) C4'-P energy: -52.485
bonds (distance) P-C4' energy: -54.309
flat angles C4'-P-C4' energy: -62.522
flat angles P-C4'-P energy: -42.371
tors. eta vs tors. theta energy: -83.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -950.326901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.326901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.326901 (E_RNA)
where:
Base-Base interactions energy: -661.601
where: short stacking energy: -262.627
Base-Backbone interact. energy: -0.790
local terms energy: -287.936444
where:
bonds (distance) C4'-P energy: -54.325
bonds (distance) P-C4' energy: -59.054
flat angles C4'-P-C4' energy: -57.466
flat angles P-C4'-P energy: -37.821
tors. eta vs tors. theta energy: -79.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -896.086741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.086741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.086741 (E_RNA)
where:
Base-Base interactions energy: -612.829
where: short stacking energy: -248.078
Base-Backbone interact. energy: -1.011
local terms energy: -282.246756
where:
bonds (distance) C4'-P energy: -54.839
bonds (distance) P-C4' energy: -52.730
flat angles C4'-P-C4' energy: -61.412
flat angles P-C4'-P energy: -44.152
tors. eta vs tors. theta energy: -69.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -845.889540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.889540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.889540 (E_RNA)
where:
Base-Base interactions energy: -581.437
where: short stacking energy: -232.303
Base-Backbone interact. energy: -1.527
local terms energy: -262.925410
where:
bonds (distance) C4'-P energy: -51.957
bonds (distance) P-C4' energy: -58.758
flat angles C4'-P-C4' energy: -60.059
flat angles P-C4'-P energy: -29.167
tors. eta vs tors. theta energy: -62.984
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: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -798.347104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.347104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.347104 (E_RNA)
where:
Base-Base interactions energy: -554.708
where: short stacking energy: -233.788
Base-Backbone interact. energy: 2.249
local terms energy: -245.887595
where:
bonds (distance) C4'-P energy: -48.975
bonds (distance) P-C4' energy: -44.706
flat angles C4'-P-C4' energy: -46.350
flat angles P-C4'-P energy: -43.819
tors. eta vs tors. theta energy: -62.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -754.239575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.239575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.239575 (E_RNA)
where:
Base-Base interactions energy: -521.604
where: short stacking energy: -207.802
Base-Backbone interact. energy: -0.906
local terms energy: -231.729136
where:
bonds (distance) C4'-P energy: -43.214
bonds (distance) P-C4' energy: -48.531
flat angles C4'-P-C4' energy: -55.041
flat angles P-C4'-P energy: -34.425
tors. eta vs tors. theta energy: -50.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -756.530913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.530913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.530913 (E_RNA)
where:
Base-Base interactions energy: -539.789
where: short stacking energy: -209.045
Base-Backbone interact. energy: -0.183
local terms energy: -216.558904
where:
bonds (distance) C4'-P energy: -32.852
bonds (distance) P-C4' energy: -40.272
flat angles C4'-P-C4' energy: -51.137
flat angles P-C4'-P energy: -39.596
tors. eta vs tors. theta energy: -52.701
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: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -622.294253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.294253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.294253 (E_RNA)
where:
Base-Base interactions energy: -410.625
where: short stacking energy: -181.667
Base-Backbone interact. energy: -1.203
local terms energy: -210.466174
where:
bonds (distance) C4'-P energy: -44.436
bonds (distance) P-C4' energy: -55.289
flat angles C4'-P-C4' energy: -40.756
flat angles P-C4'-P energy: -30.846
tors. eta vs tors. theta energy: -39.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -537.825734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.825734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.825734 (E_RNA)
where:
Base-Base interactions energy: -350.378
where: short stacking energy: -159.643
Base-Backbone interact. energy: 2.123
local terms energy: -189.570374
where:
bonds (distance) C4'-P energy: -40.075
bonds (distance) P-C4' energy: -48.515
flat angles C4'-P-C4' energy: -39.535
flat angles P-C4'-P energy: -33.388
tors. eta vs tors. theta energy: -28.058
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: 10, replica: 8
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -572.331720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.331720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.331720 (E_RNA)
where:
Base-Base interactions energy: -397.645
where: short stacking energy: -176.119
Base-Backbone interact. energy: -0.563
local terms energy: -174.123938
where:
bonds (distance) C4'-P energy: -37.226
bonds (distance) P-C4' energy: -43.178
flat angles C4'-P-C4' energy: -39.976
flat angles P-C4'-P energy: -20.019
tors. eta vs tors. theta energy: -33.725
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: 1, replica: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -986.819498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.819498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.819498 (E_RNA)
where:
Base-Base interactions energy: -690.626
where: short stacking energy: -270.352
Base-Backbone interact. energy: -0.149
local terms energy: -296.044592
where:
bonds (distance) C4'-P energy: -46.488
bonds (distance) P-C4' energy: -60.360
flat angles C4'-P-C4' energy: -65.644
flat angles P-C4'-P energy: -44.171
tors. eta vs tors. theta energy: -79.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -935.883848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.883848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.883848 (E_RNA)
where:
Base-Base interactions energy: -663.494
where: short stacking energy: -267.510
Base-Backbone interact. energy: -0.227
local terms energy: -272.163424
where:
bonds (distance) C4'-P energy: -46.828
bonds (distance) P-C4' energy: -53.312
flat angles C4'-P-C4' energy: -60.878
flat angles P-C4'-P energy: -34.798
tors. eta vs tors. theta energy: -76.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -881.658726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.658726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.658726 (E_RNA)
where:
Base-Base interactions energy: -622.096
where: short stacking energy: -242.797
Base-Backbone interact. energy: -2.590
local terms energy: -256.972941
where:
bonds (distance) C4'-P energy: -48.251
bonds (distance) P-C4' energy: -56.392
flat angles C4'-P-C4' energy: -44.966
flat angles P-C4'-P energy: -46.825
tors. eta vs tors. theta energy: -60.539
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: 10
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -848.613750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.613750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.613750 (E_RNA)
where:
Base-Base interactions energy: -597.553
where: short stacking energy: -230.661
Base-Backbone interact. energy: -1.367
local terms energy: -249.694380
where:
bonds (distance) C4'-P energy: -44.853
bonds (distance) P-C4' energy: -41.507
flat angles C4'-P-C4' energy: -64.876
flat angles P-C4'-P energy: -38.120
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: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -799.019584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.019584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.019584 (E_RNA)
where:
Base-Base interactions energy: -538.217
where: short stacking energy: -240.348
Base-Backbone interact. energy: 1.750
local terms energy: -262.552513
where:
bonds (distance) C4'-P energy: -44.535
bonds (distance) P-C4' energy: -55.778
flat angles C4'-P-C4' energy: -58.576
flat angles P-C4'-P energy: -39.612
tors. eta vs tors. theta energy: -64.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -796.851825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.851825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.851825 (E_RNA)
where:
Base-Base interactions energy: -534.358
where: short stacking energy: -214.205
Base-Backbone interact. energy: -1.741
local terms energy: -260.753311
where:
bonds (distance) C4'-P energy: -58.289
bonds (distance) P-C4' energy: -57.446
flat angles C4'-P-C4' energy: -60.110
flat angles P-C4'-P energy: -33.676
tors. eta vs tors. theta energy: -51.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -708.816871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.816871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.816871 (E_RNA)
where:
Base-Base interactions energy: -485.152
where: short stacking energy: -202.065
Base-Backbone interact. energy: -0.924
local terms energy: -222.740822
where:
bonds (distance) C4'-P energy: -50.126
bonds (distance) P-C4' energy: -48.852
flat angles C4'-P-C4' energy: -47.327
flat angles P-C4'-P energy: -30.176
tors. eta vs tors. theta energy: -46.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -612.067714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.067714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.067714 (E_RNA)
where:
Base-Base interactions energy: -395.308
where: short stacking energy: -171.580
Base-Backbone interact. energy: -1.462
local terms energy: -215.297854
where:
bonds (distance) C4'-P energy: -45.674
bonds (distance) P-C4' energy: -55.482
flat angles C4'-P-C4' energy: -48.753
flat angles P-C4'-P energy: -29.733
tors. eta vs tors. theta energy: -35.656
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: 9, replica: 3
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -549.800085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.800085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.800085 (E_RNA)
where:
Base-Base interactions energy: -358.011
where: short stacking energy: -152.359
Base-Backbone interact. energy: 0.962
local terms energy: -192.751289
where:
bonds (distance) C4'-P energy: -44.110
bonds (distance) P-C4' energy: -49.748
flat angles C4'-P-C4' energy: -41.264
flat angles P-C4'-P energy: -29.562
tors. eta vs tors. theta energy: -28.066
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: 8
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -558.046569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.046569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.046569 (E_RNA)
where:
Base-Base interactions energy: -361.485
where: short stacking energy: -162.399
Base-Backbone interact. energy: 1.426
local terms energy: -197.986645
where:
bonds (distance) C4'-P energy: -36.149
bonds (distance) P-C4' energy: -43.147
flat angles C4'-P-C4' energy: -50.841
flat angles P-C4'-P energy: -30.504
tors. eta vs tors. theta energy: -37.346
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: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -969.541949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.541949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.541949 (E_RNA)
where:
Base-Base interactions energy: -672.971
where: short stacking energy: -290.327
Base-Backbone interact. energy: -0.740
local terms energy: -295.831252
where:
bonds (distance) C4'-P energy: -59.996
bonds (distance) P-C4' energy: -52.302
flat angles C4'-P-C4' energy: -57.018
flat angles P-C4'-P energy: -45.824
tors. eta vs tors. theta energy: -80.692
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: 338
Temperature: 0.950000
Total energy: -949.564638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.564638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.564638 (E_RNA)
where:
Base-Base interactions energy: -670.688
where: short stacking energy: -275.774
Base-Backbone interact. energy: -1.940
local terms energy: -276.937037
where:
bonds (distance) C4'-P energy: -48.996
bonds (distance) P-C4' energy: -61.310
flat angles C4'-P-C4' energy: -56.341
flat angles P-C4'-P energy: -36.866
tors. eta vs tors. theta energy: -73.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -912.903695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.903695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.903695 (E_RNA)
where:
Base-Base interactions energy: -640.451
where: short stacking energy: -263.375
Base-Backbone interact. energy: -1.015
local terms energy: -271.437915
where:
bonds (distance) C4'-P energy: -50.949
bonds (distance) P-C4' energy: -50.208
flat angles C4'-P-C4' energy: -55.988
flat angles P-C4'-P energy: -43.765
tors. eta vs tors. theta energy: -70.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -849.611535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.611535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.611535 (E_RNA)
where:
Base-Base interactions energy: -596.844
where: short stacking energy: -236.668
Base-Backbone interact. energy: 0.895
local terms energy: -253.663252
where:
bonds (distance) C4'-P energy: -46.861
bonds (distance) P-C4' energy: -62.812
flat angles C4'-P-C4' energy: -54.062
flat angles P-C4'-P energy: -31.300
tors. eta vs tors. theta energy: -58.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -802.053408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.053408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.053408 (E_RNA)
where:
Base-Base interactions energy: -559.344
where: short stacking energy: -237.839
Base-Backbone interact. energy: -0.213
local terms energy: -242.496293
where:
bonds (distance) C4'-P energy: -51.119
bonds (distance) P-C4' energy: -42.815
flat angles C4'-P-C4' energy: -55.459
flat angles P-C4'-P energy: -32.246
tors. eta vs tors. theta energy: -60.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -757.649820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.649820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.649820 (E_RNA)
where:
Base-Base interactions energy: -529.859
where: short stacking energy: -228.359
Base-Backbone interact. energy: -1.257
local terms energy: -226.533922
where:
bonds (distance) C4'-P energy: -49.836
bonds (distance) P-C4' energy: -40.721
flat angles C4'-P-C4' energy: -52.894
flat angles P-C4'-P energy: -27.760
tors. eta vs tors. theta energy: -55.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -713.225857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.225857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.225857 (E_RNA)
where:
Base-Base interactions energy: -493.496
where: short stacking energy: -210.637
Base-Backbone interact. energy: -1.056
local terms energy: -218.674006
where:
bonds (distance) C4'-P energy: -32.605
bonds (distance) P-C4' energy: -47.503
flat angles C4'-P-C4' energy: -50.190
flat angles P-C4'-P energy: -34.481
tors. eta vs tors. theta energy: -53.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -614.288012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.288012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.288012 (E_RNA)
where:
Base-Base interactions energy: -422.563
where: short stacking energy: -190.479
Base-Backbone interact. energy: 0.244
local terms energy: -191.969152
where:
bonds (distance) C4'-P energy: -37.980
bonds (distance) P-C4' energy: -51.912
flat angles C4'-P-C4' energy: -37.416
flat angles P-C4'-P energy: -22.684
tors. eta vs tors. theta energy: -41.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -573.793278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.793278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.793278 (E_RNA)
where:
Base-Base interactions energy: -372.225
where: short stacking energy: -176.159
Base-Backbone interact. energy: -0.190
local terms energy: -201.378786
where:
bonds (distance) C4'-P energy: -36.773
bonds (distance) P-C4' energy: -46.098
flat angles C4'-P-C4' energy: -54.150
flat angles P-C4'-P energy: -26.596
tors. eta vs tors. theta energy: -37.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -537.608103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.608103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.608103 (E_RNA)
where:
Base-Base interactions energy: -338.219
where: short stacking energy: -140.329
Base-Backbone interact. energy: -1.176
local terms energy: -198.212734
where:
bonds (distance) C4'-P energy: -45.745
bonds (distance) P-C4' energy: -54.209
flat angles C4'-P-C4' energy: -50.563
flat angles P-C4'-P energy: -22.575
tors. eta vs tors. theta energy: -25.121
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: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -973.959176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.959176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.959176 (E_RNA)
where:
Base-Base interactions energy: -676.001
where: short stacking energy: -291.835
Base-Backbone interact. energy: -1.692
local terms energy: -296.265645
where:
bonds (distance) C4'-P energy: -52.096
bonds (distance) P-C4' energy: -55.958
flat angles C4'-P-C4' energy: -60.422
flat angles P-C4'-P energy: -46.356
tors. eta vs tors. theta energy: -81.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -908.630586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.630586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.630586 (E_RNA)
where:
Base-Base interactions energy: -637.059
where: short stacking energy: -244.310
Base-Backbone interact. energy: -0.953
local terms energy: -270.618250
where:
bonds (distance) C4'-P energy: -51.968
bonds (distance) P-C4' energy: -53.532
flat angles C4'-P-C4' energy: -53.767
flat angles P-C4'-P energy: -42.168
tors. eta vs tors. theta energy: -69.183
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: 339
Temperature: 1.000000
Total energy: -927.181909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.181909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.181909 (E_RNA)
where:
Base-Base interactions energy: -653.422
where: short stacking energy: -274.392
Base-Backbone interact. energy: -0.575
local terms energy: -273.185040
where:
bonds (distance) C4'-P energy: -55.110
bonds (distance) P-C4' energy: -56.711
flat angles C4'-P-C4' energy: -48.850
flat angles P-C4'-P energy: -32.212
tors. eta vs tors. theta energy: -80.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -888.617467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.617467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.617467 (E_RNA)
where:
Base-Base interactions energy: -628.688
where: short stacking energy: -234.365
Base-Backbone interact. energy: -2.192
local terms energy: -257.737557
where:
bonds (distance) C4'-P energy: -43.596
bonds (distance) P-C4' energy: -48.605
flat angles C4'-P-C4' energy: -59.409
flat angles P-C4'-P energy: -38.342
tors. eta vs tors. theta energy: -67.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -801.860240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.860240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.860240 (E_RNA)
where:
Base-Base interactions energy: -554.207
where: short stacking energy: -257.761
Base-Backbone interact. energy: -0.416
local terms energy: -247.237353
where:
bonds (distance) C4'-P energy: -52.123
bonds (distance) P-C4' energy: -38.162
flat angles C4'-P-C4' energy: -57.119
flat angles P-C4'-P energy: -31.588
tors. eta vs tors. theta energy: -68.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -770.739426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.739426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.739426 (E_RNA)
where:
Base-Base interactions energy: -545.472
where: short stacking energy: -208.641
Base-Backbone interact. energy: -0.040
local terms energy: -225.227763
where:
bonds (distance) C4'-P energy: -35.254
bonds (distance) P-C4' energy: -49.472
flat angles C4'-P-C4' energy: -47.743
flat angles P-C4'-P energy: -33.799
tors. eta vs tors. theta energy: -58.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -723.103608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.103608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.103608 (E_RNA)
where:
Base-Base interactions energy: -501.419
where: short stacking energy: -206.393
Base-Backbone interact. energy: -2.022
local terms energy: -219.662121
where:
bonds (distance) C4'-P energy: -41.287
bonds (distance) P-C4' energy: -40.462
flat angles C4'-P-C4' energy: -56.852
flat angles P-C4'-P energy: -36.898
tors. eta vs tors. theta energy: -44.165
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: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -593.067570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.067570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.067570 (E_RNA)
where:
Base-Base interactions energy: -389.141
where: short stacking energy: -170.773
Base-Backbone interact. energy: -0.560
local terms energy: -203.366534
where:
bonds (distance) C4'-P energy: -39.818
bonds (distance) P-C4' energy: -51.314
flat angles C4'-P-C4' energy: -40.080
flat angles P-C4'-P energy: -35.880
tors. eta vs tors. theta energy: -36.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -597.864612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.864612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.864612 (E_RNA)
where:
Base-Base interactions energy: -402.059
where: short stacking energy: -157.526
Base-Backbone interact. energy: 1.496
local terms energy: -197.300932
where:
bonds (distance) C4'-P energy: -43.043
bonds (distance) P-C4' energy: -47.684
flat angles C4'-P-C4' energy: -51.562
flat angles P-C4'-P energy: -22.420
tors. eta vs tors. theta energy: -32.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -500.050606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.050606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.050606 (E_RNA)
where:
Base-Base interactions energy: -309.984
where: short stacking energy: -149.317
Base-Backbone interact. energy: 1.884
local terms energy: -191.950689
where:
bonds (distance) C4'-P energy: -39.574
bonds (distance) P-C4' energy: -52.620
flat angles C4'-P-C4' energy: -50.123
flat angles P-C4'-P energy: -17.066
tors. eta vs tors. theta energy: -32.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -974.046329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.046329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.046329 (E_RNA)
where:
Base-Base interactions energy: -693.115
where: short stacking energy: -269.813
Base-Backbone interact. energy: -1.216
local terms energy: -279.715560
where:
bonds (distance) C4'-P energy: -50.350
bonds (distance) P-C4' energy: -56.329
flat angles C4'-P-C4' energy: -57.818
flat angles P-C4'-P energy: -30.653
tors. eta vs tors. theta energy: -84.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -934.265625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.265625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.265625 (E_RNA)
where:
Base-Base interactions energy: -659.479
where: short stacking energy: -270.545
Base-Backbone interact. energy: -1.912
local terms energy: -272.875499
where:
bonds (distance) C4'-P energy: -47.746
bonds (distance) P-C4' energy: -53.750
flat angles C4'-P-C4' energy: -61.086
flat angles P-C4'-P energy: -35.363
tors. eta vs tors. theta energy: -74.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -934.535414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.535414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.535414 (E_RNA)
where:
Base-Base interactions energy: -662.643
where: short stacking energy: -284.092
Base-Backbone interact. energy: 0.204
local terms energy: -272.096904
where:
bonds (distance) C4'-P energy: -47.874
bonds (distance) P-C4' energy: -45.635
flat angles C4'-P-C4' energy: -55.919
flat angles P-C4'-P energy: -40.651
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: 4, replica: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -869.083021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.083021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.083021 (E_RNA)
where:
Base-Base interactions energy: -621.498
where: short stacking energy: -238.422
Base-Backbone interact. energy: -1.692
local terms energy: -245.892819
where:
bonds (distance) C4'-P energy: -53.347
bonds (distance) P-C4' energy: -46.284
flat angles C4'-P-C4' energy: -49.254
flat angles P-C4'-P energy: -31.845
tors. eta vs tors. theta energy: -65.162
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: 7
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -791.251212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.251212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.251212 (E_RNA)
where:
Base-Base interactions energy: -536.735
where: short stacking energy: -219.161
Base-Backbone interact. energy: -1.805
local terms energy: -252.711550
where:
bonds (distance) C4'-P energy: -50.574
bonds (distance) P-C4' energy: -58.991
flat angles C4'-P-C4' energy: -54.553
flat angles P-C4'-P energy: -29.849
tors. eta vs tors. theta energy: -58.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -775.872725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.872725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.872725 (E_RNA)
where:
Base-Base interactions energy: -540.169
where: short stacking energy: -223.555
Base-Backbone interact. energy: -1.355
local terms energy: -234.349023
where:
bonds (distance) C4'-P energy: -54.537
bonds (distance) P-C4' energy: -34.498
flat angles C4'-P-C4' energy: -54.201
flat angles P-C4'-P energy: -36.197
tors. eta vs tors. theta energy: -54.916
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: 2
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -725.898158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.898158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.898158 (E_RNA)
where:
Base-Base interactions energy: -504.493
where: short stacking energy: -213.558
Base-Backbone interact. energy: -1.318
local terms energy: -220.086896
where:
bonds (distance) C4'-P energy: -39.987
bonds (distance) P-C4' energy: -51.594
flat angles C4'-P-C4' energy: -45.112
flat angles P-C4'-P energy: -35.252
tors. eta vs tors. theta energy: -48.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -599.200910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.200910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.200910 (E_RNA)
where:
Base-Base interactions energy: -387.945
where: short stacking energy: -168.063
Base-Backbone interact. energy: 1.733
local terms energy: -212.989412
where:
bonds (distance) C4'-P energy: -42.430
bonds (distance) P-C4' energy: -49.784
flat angles C4'-P-C4' energy: -54.739
flat angles P-C4'-P energy: -36.593
tors. eta vs tors. theta energy: -29.444
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: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -592.825342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.825342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.825342 (E_RNA)
where:
Base-Base interactions energy: -395.895
where: short stacking energy: -164.260
Base-Backbone interact. energy: 1.239
local terms energy: -198.169546
where:
bonds (distance) C4'-P energy: -49.949
bonds (distance) P-C4' energy: -49.169
flat angles C4'-P-C4' energy: -33.952
flat angles P-C4'-P energy: -28.625
tors. eta vs tors. theta energy: -36.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -509.002048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.002048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.002048 (E_RNA)
where:
Base-Base interactions energy: -323.714
where: short stacking energy: -137.932
Base-Backbone interact. energy: 4.560
local terms energy: -189.847489
where:
bonds (distance) C4'-P energy: -50.853
bonds (distance) P-C4' energy: -45.430
flat angles C4'-P-C4' energy: -35.094
flat angles P-C4'-P energy: -19.806
tors. eta vs tors. theta energy: -38.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -963.614763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.614763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.614763 (E_RNA)
where:
Base-Base interactions energy: -678.455
where: short stacking energy: -279.137
Base-Backbone interact. energy: -0.924
local terms energy: -284.234897
where:
bonds (distance) C4'-P energy: -48.071
bonds (distance) P-C4' energy: -53.016
flat angles C4'-P-C4' energy: -65.015
flat angles P-C4'-P energy: -36.619
tors. eta vs tors. theta energy: -81.515
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: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -944.336682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.336682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.336682 (E_RNA)
where:
Base-Base interactions energy: -670.435
where: short stacking energy: -278.094
Base-Backbone interact. energy: 1.969
local terms energy: -275.871147
where:
bonds (distance) C4'-P energy: -43.768
bonds (distance) P-C4' energy: -52.696
flat angles C4'-P-C4' energy: -63.346
flat angles P-C4'-P energy: -37.146
tors. eta vs tors. theta energy: -78.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -896.689466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.689466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.689466 (E_RNA)
where:
Base-Base interactions energy: -628.002
where: short stacking energy: -249.563
Base-Backbone interact. energy: -0.290
local terms energy: -268.397628
where:
bonds (distance) C4'-P energy: -48.461
bonds (distance) P-C4' energy: -48.539
flat angles C4'-P-C4' energy: -60.679
flat angles P-C4'-P energy: -38.700
tors. eta vs tors. theta energy: -72.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -849.964315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.964315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.964315 (E_RNA)
where:
Base-Base interactions energy: -603.900
where: short stacking energy: -231.385
Base-Backbone interact. energy: -0.307
local terms energy: -245.757976
where:
bonds (distance) C4'-P energy: -52.301
bonds (distance) P-C4' energy: -50.054
flat angles C4'-P-C4' energy: -57.792
flat angles P-C4'-P energy: -24.821
tors. eta vs tors. theta energy: -60.791
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: 7
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -800.490804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.490804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.490804 (E_RNA)
where:
Base-Base interactions energy: -540.394
where: short stacking energy: -227.230
Base-Backbone interact. energy: -2.342
local terms energy: -257.754801
where:
bonds (distance) C4'-P energy: -48.584
bonds (distance) P-C4' energy: -48.576
flat angles C4'-P-C4' energy: -61.144
flat angles P-C4'-P energy: -33.708
tors. eta vs tors. theta energy: -65.742
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: 6, replica: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -721.599705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.599705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.599705 (E_RNA)
where:
Base-Base interactions energy: -483.923
where: short stacking energy: -211.005
Base-Backbone interact. energy: -1.917
local terms energy: -235.759706
where:
bonds (distance) C4'-P energy: -44.636
bonds (distance) P-C4' energy: -47.720
flat angles C4'-P-C4' energy: -64.730
flat angles P-C4'-P energy: -29.504
tors. eta vs tors. theta energy: -49.170
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: 6
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -768.785474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.785474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.785474 (E_RNA)
where:
Base-Base interactions energy: -527.775
where: short stacking energy: -211.301
Base-Backbone interact. energy: 0.034
local terms energy: -241.044118
where:
bonds (distance) C4'-P energy: -42.991
bonds (distance) P-C4' energy: -56.267
flat angles C4'-P-C4' energy: -51.832
flat angles P-C4'-P energy: -35.972
tors. eta vs tors. theta energy: -53.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -626.011423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.011423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.011423 (E_RNA)
where:
Base-Base interactions energy: -402.032
where: short stacking energy: -180.208
Base-Backbone interact. energy: -1.028
local terms energy: -222.951991
where:
bonds (distance) C4'-P energy: -55.836
bonds (distance) P-C4' energy: -51.134
flat angles C4'-P-C4' energy: -41.218
flat angles P-C4'-P energy: -33.600
tors. eta vs tors. theta energy: -41.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -586.490804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.490804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.490804 (E_RNA)
where:
Base-Base interactions energy: -397.137
where: short stacking energy: -165.096
Base-Backbone interact. energy: -1.736
local terms energy: -187.617784
where:
bonds (distance) C4'-P energy: -33.429
bonds (distance) P-C4' energy: -51.754
flat angles C4'-P-C4' energy: -49.854
flat angles P-C4'-P energy: -22.794
tors. eta vs tors. theta energy: -29.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -504.437658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.437658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.437658 (E_RNA)
where:
Base-Base interactions energy: -331.377
where: short stacking energy: -146.330
Base-Backbone interact. energy: -1.185
local terms energy: -171.875252
where:
bonds (distance) C4'-P energy: -37.216
bonds (distance) P-C4' energy: -37.049
flat angles C4'-P-C4' energy: -43.049
flat angles P-C4'-P energy: -26.665
tors. eta vs tors. theta energy: -27.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -957.242469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.242469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.242469 (E_RNA)
where:
Base-Base interactions energy: -675.198
where: short stacking energy: -263.280
Base-Backbone interact. energy: -0.001
local terms energy: -282.043539
where:
bonds (distance) C4'-P energy: -49.295
bonds (distance) P-C4' energy: -52.771
flat angles C4'-P-C4' energy: -59.866
flat angles P-C4'-P energy: -45.857
tors. eta vs tors. theta energy: -74.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -963.521762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.521762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.521762 (E_RNA)
where:
Base-Base interactions energy: -680.279
where: short stacking energy: -270.632
Base-Backbone interact. energy: -0.810
local terms energy: -282.432551
where:
bonds (distance) C4'-P energy: -51.193
bonds (distance) P-C4' energy: -55.577
flat angles C4'-P-C4' energy: -51.430
flat angles P-C4'-P energy: -42.297
tors. eta vs tors. theta energy: -81.936
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: 3, replica: 5
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -915.662244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.662244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.662244 (E_RNA)
where:
Base-Base interactions energy: -641.219
where: short stacking energy: -257.415
Base-Backbone interact. energy: -0.738
local terms energy: -273.705070
where:
bonds (distance) C4'-P energy: -56.609
bonds (distance) P-C4' energy: -53.841
flat angles C4'-P-C4' energy: -61.686
flat angles P-C4'-P energy: -25.740
tors. eta vs tors. theta energy: -75.830
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: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -860.126393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.126393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.126393 (E_RNA)
where:
Base-Base interactions energy: -602.760
where: short stacking energy: -239.270
Base-Backbone interact. energy: -0.633
local terms energy: -256.733467
where:
bonds (distance) C4'-P energy: -49.754
bonds (distance) P-C4' energy: -56.038
flat angles C4'-P-C4' energy: -42.811
flat angles P-C4'-P energy: -41.001
tors. eta vs tors. theta energy: -67.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -792.879833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.879833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.879833 (E_RNA)
where:
Base-Base interactions energy: -537.038
where: short stacking energy: -230.015
Base-Backbone interact. energy: -0.560
local terms energy: -255.282567
where:
bonds (distance) C4'-P energy: -53.640
bonds (distance) P-C4' energy: -53.801
flat angles C4'-P-C4' energy: -55.375
flat angles P-C4'-P energy: -31.482
tors. eta vs tors. theta energy: -60.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -780.688519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.688519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.688519 (E_RNA)
where:
Base-Base interactions energy: -528.341
where: short stacking energy: -220.892
Base-Backbone interact. energy: -0.817
local terms energy: -251.530595
where:
bonds (distance) C4'-P energy: -48.647
bonds (distance) P-C4' energy: -48.976
flat angles C4'-P-C4' energy: -59.105
flat angles P-C4'-P energy: -34.455
tors. eta vs tors. theta energy: -60.348
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: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -775.602097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.602097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.602097 (E_RNA)
where:
Base-Base interactions energy: -530.872
where: short stacking energy: -198.461
Base-Backbone interact. energy: -0.285
local terms energy: -244.446036
where:
bonds (distance) C4'-P energy: -49.411
bonds (distance) P-C4' energy: -54.492
flat angles C4'-P-C4' energy: -52.319
flat angles P-C4'-P energy: -38.919
tors. eta vs tors. theta energy: -49.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -657.334474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.334474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.334474 (E_RNA)
where:
Base-Base interactions energy: -442.450
where: short stacking energy: -189.330
Base-Backbone interact. energy: 0.975
local terms energy: -215.859499
where:
bonds (distance) C4'-P energy: -43.163
bonds (distance) P-C4' energy: -44.822
flat angles C4'-P-C4' energy: -43.081
flat angles P-C4'-P energy: -29.718
tors. eta vs tors. theta energy: -55.075
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: 342
Temperature: 1.300000
Total energy: -554.981493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.981493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.981493 (E_RNA)
where:
Base-Base interactions energy: -360.279
where: short stacking energy: -163.078
Base-Backbone interact. energy: -0.412
local terms energy: -194.290302
where:
bonds (distance) C4'-P energy: -32.835
bonds (distance) P-C4' energy: -38.821
flat angles C4'-P-C4' energy: -48.223
flat angles P-C4'-P energy: -33.571
tors. eta vs tors. theta energy: -40.840
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: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -454.442652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.442652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.442652 (E_RNA)
where:
Base-Base interactions energy: -299.909
where: short stacking energy: -134.062
Base-Backbone interact. energy: -1.683
local terms energy: -152.850331
where:
bonds (distance) C4'-P energy: -41.681
bonds (distance) P-C4' energy: -43.938
flat angles C4'-P-C4' energy: -40.009
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -15.039
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: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -952.029874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.029874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.029874 (E_RNA)
where:
Base-Base interactions energy: -662.707
where: short stacking energy: -263.714
Base-Backbone interact. energy: -0.765
local terms energy: -288.557547
where:
bonds (distance) C4'-P energy: -51.887
bonds (distance) P-C4' energy: -49.504
flat angles C4'-P-C4' energy: -60.290
flat angles P-C4'-P energy: -47.668
tors. eta vs tors. theta energy: -79.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -962.733703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.733703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.733703 (E_RNA)
where:
Base-Base interactions energy: -673.907
where: short stacking energy: -276.261
Base-Backbone interact. energy: 0.182
local terms energy: -289.008424
where:
bonds (distance) C4'-P energy: -53.704
bonds (distance) P-C4' energy: -54.506
flat angles C4'-P-C4' energy: -59.980
flat angles P-C4'-P energy: -41.048
tors. eta vs tors. theta energy: -79.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -876.351478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.351478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.351478 (E_RNA)
where:
Base-Base interactions energy: -618.595
where: short stacking energy: -234.350
Base-Backbone interact. energy: -0.936
local terms energy: -256.821329
where:
bonds (distance) C4'-P energy: -48.347
bonds (distance) P-C4' energy: -50.863
flat angles C4'-P-C4' energy: -52.915
flat angles P-C4'-P energy: -40.099
tors. eta vs tors. theta energy: -64.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -857.707203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.707203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.707203 (E_RNA)
where:
Base-Base interactions energy: -593.042
where: short stacking energy: -242.829
Base-Backbone interact. energy: -1.077
local terms energy: -263.588610
where:
bonds (distance) C4'-P energy: -50.817
bonds (distance) P-C4' energy: -53.403
flat angles C4'-P-C4' energy: -56.360
flat angles P-C4'-P energy: -39.355
tors. eta vs tors. theta energy: -63.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -795.773038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.773038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.773038 (E_RNA)
where:
Base-Base interactions energy: -549.565
where: short stacking energy: -234.780
Base-Backbone interact. energy: 0.708
local terms energy: -246.916016
where:
bonds (distance) C4'-P energy: -60.237
bonds (distance) P-C4' energy: -41.861
flat angles C4'-P-C4' energy: -51.522
flat angles P-C4'-P energy: -26.270
tors. eta vs tors. theta energy: -67.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -738.032223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.032223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.032223 (E_RNA)
where:
Base-Base interactions energy: -516.289
where: short stacking energy: -217.893
Base-Backbone interact. energy: -0.041
local terms energy: -221.702510
where:
bonds (distance) C4'-P energy: -39.803
bonds (distance) P-C4' energy: -57.525
flat angles C4'-P-C4' energy: -42.568
flat angles P-C4'-P energy: -27.217
tors. eta vs tors. theta energy: -54.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -746.713775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.713775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.713775 (E_RNA)
where:
Base-Base interactions energy: -516.601
where: short stacking energy: -196.864
Base-Backbone interact. energy: -1.198
local terms energy: -228.914254
where:
bonds (distance) C4'-P energy: -45.241
bonds (distance) P-C4' energy: -48.612
flat angles C4'-P-C4' energy: -46.636
flat angles P-C4'-P energy: -33.196
tors. eta vs tors. theta energy: -55.229
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: 8, replica: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -611.759192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.759192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.759192 (E_RNA)
where:
Base-Base interactions energy: -421.898
where: short stacking energy: -169.889
Base-Backbone interact. energy: 3.322
local terms energy: -193.183178
where:
bonds (distance) C4'-P energy: -46.212
bonds (distance) P-C4' energy: -37.314
flat angles C4'-P-C4' energy: -46.782
flat angles P-C4'-P energy: -24.924
tors. eta vs tors. theta energy: -37.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -552.030360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.030360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.030360 (E_RNA)
where:
Base-Base interactions energy: -370.328
where: short stacking energy: -164.988
Base-Backbone interact. energy: 3.195
local terms energy: -184.896875
where:
bonds (distance) C4'-P energy: -40.985
bonds (distance) P-C4' energy: -40.188
flat angles C4'-P-C4' energy: -50.770
flat angles P-C4'-P energy: -28.369
tors. eta vs tors. theta energy: -24.584
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: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -400.427129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.427129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.427129 (E_RNA)
where:
Base-Base interactions energy: -226.891
where: short stacking energy: -99.159
Base-Backbone interact. energy: -0.528
local terms energy: -173.007969
where:
bonds (distance) C4'-P energy: -49.952
bonds (distance) P-C4' energy: -55.860
flat angles C4'-P-C4' energy: -34.240
flat angles P-C4'-P energy: -26.711
tors. eta vs tors. theta energy: -6.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -966.379524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.379524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.379524 (E_RNA)
where:
Base-Base interactions energy: -676.936
where: short stacking energy: -276.227
Base-Backbone interact. energy: -0.988
local terms energy: -288.455543
where:
bonds (distance) C4'-P energy: -52.265
bonds (distance) P-C4' energy: -62.911
flat angles C4'-P-C4' energy: -57.251
flat angles P-C4'-P energy: -37.875
tors. eta vs tors. theta energy: -78.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -962.306750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.306750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.306750 (E_RNA)
where:
Base-Base interactions energy: -674.064
where: short stacking energy: -273.940
Base-Backbone interact. energy: -0.827
local terms energy: -287.416673
where:
bonds (distance) C4'-P energy: -54.883
bonds (distance) P-C4' energy: -57.524
flat angles C4'-P-C4' energy: -61.124
flat angles P-C4'-P energy: -34.816
tors. eta vs tors. theta energy: -79.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -902.027135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.027135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.027135 (E_RNA)
where:
Base-Base interactions energy: -630.075
where: short stacking energy: -243.306
Base-Backbone interact. energy: 0.691
local terms energy: -272.643137
where:
bonds (distance) C4'-P energy: -49.250
bonds (distance) P-C4' energy: -58.099
flat angles C4'-P-C4' energy: -56.574
flat angles P-C4'-P energy: -33.062
tors. eta vs tors. theta energy: -75.658
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: 10
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -872.308041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.308041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.308041 (E_RNA)
where:
Base-Base interactions energy: -601.412
where: short stacking energy: -245.069
Base-Backbone interact. energy: -2.515
local terms energy: -268.380589
where:
bonds (distance) C4'-P energy: -55.564
bonds (distance) P-C4' energy: -48.861
flat angles C4'-P-C4' energy: -56.865
flat angles P-C4'-P energy: -38.908
tors. eta vs tors. theta energy: -68.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -801.683467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.683467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.683467 (E_RNA)
where:
Base-Base interactions energy: -552.266
where: short stacking energy: -254.329
Base-Backbone interact. energy: 0.636
local terms energy: -250.053970
where:
bonds (distance) C4'-P energy: -44.244
bonds (distance) P-C4' energy: -54.493
flat angles C4'-P-C4' energy: -51.216
flat angles P-C4'-P energy: -27.367
tors. eta vs tors. theta energy: -72.734
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: 2
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -777.803010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.803010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.803010 (E_RNA)
where:
Base-Base interactions energy: -537.089
where: short stacking energy: -238.012
Base-Backbone interact. energy: -1.040
local terms energy: -239.674071
where:
bonds (distance) C4'-P energy: -43.566
bonds (distance) P-C4' energy: -51.662
flat angles C4'-P-C4' energy: -55.490
flat angles P-C4'-P energy: -27.429
tors. eta vs tors. theta energy: -61.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -745.478961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.478961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.478961 (E_RNA)
where:
Base-Base interactions energy: -525.764
where: short stacking energy: -214.558
Base-Backbone interact. energy: 3.096
local terms energy: -222.810914
where:
bonds (distance) C4'-P energy: -43.393
bonds (distance) P-C4' energy: -43.086
flat angles C4'-P-C4' energy: -48.962
flat angles P-C4'-P energy: -29.621
tors. eta vs tors. theta energy: -57.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -642.237989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.237989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.237989 (E_RNA)
where:
Base-Base interactions energy: -426.754
where: short stacking energy: -183.142
Base-Backbone interact. energy: -0.449
local terms energy: -215.034840
where:
bonds (distance) C4'-P energy: -41.971
bonds (distance) P-C4' energy: -54.873
flat angles C4'-P-C4' energy: -51.086
flat angles P-C4'-P energy: -21.346
tors. eta vs tors. theta energy: -45.759
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: 344
Temperature: 1.300000
Total energy: -572.471829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.471829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.471829 (E_RNA)
where:
Base-Base interactions energy: -373.080
where: short stacking energy: -168.238
Base-Backbone interact. energy: -0.853
local terms energy: -198.538848
where:
bonds (distance) C4'-P energy: -43.212
bonds (distance) P-C4' energy: -53.244
flat angles C4'-P-C4' energy: -41.929
flat angles P-C4'-P energy: -27.762
tors. eta vs tors. theta energy: -32.391
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: 3
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -394.477317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.477317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.477317 (E_RNA)
where:
Base-Base interactions energy: -221.146
where: short stacking energy: -111.403
Base-Backbone interact. energy: -1.022
local terms energy: -172.309072
where:
bonds (distance) C4'-P energy: -43.434
bonds (distance) P-C4' energy: -41.405
flat angles C4'-P-C4' energy: -38.804
flat angles P-C4'-P energy: -32.432
tors. eta vs tors. theta energy: -16.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -963.758475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.758475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.758475 (E_RNA)
where:
Base-Base interactions energy: -688.118
where: short stacking energy: -268.992
Base-Backbone interact. energy: -2.314
local terms energy: -273.327139
where:
bonds (distance) C4'-P energy: -45.045
bonds (distance) P-C4' energy: -56.381
flat angles C4'-P-C4' energy: -59.521
flat angles P-C4'-P energy: -36.741
tors. eta vs tors. theta energy: -75.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -939.266992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.266992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.266992 (E_RNA)
where:
Base-Base interactions energy: -650.046
where: short stacking energy: -265.870
Base-Backbone interact. energy: -0.524
local terms energy: -288.696786
where:
bonds (distance) C4'-P energy: -54.866
bonds (distance) P-C4' energy: -55.115
flat angles C4'-P-C4' energy: -53.816
flat angles P-C4'-P energy: -43.081
tors. eta vs tors. theta energy: -81.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -935.571885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.571885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.571885 (E_RNA)
where:
Base-Base interactions energy: -654.457
where: short stacking energy: -262.704
Base-Backbone interact. energy: -1.805
local terms energy: -279.309643
where:
bonds (distance) C4'-P energy: -51.396
bonds (distance) P-C4' energy: -49.568
flat angles C4'-P-C4' energy: -59.031
flat angles P-C4'-P energy: -38.864
tors. eta vs tors. theta energy: -80.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -847.383367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.383367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.383367 (E_RNA)
where:
Base-Base interactions energy: -589.589
where: short stacking energy: -245.371
Base-Backbone interact. energy: -0.307
local terms energy: -257.486641
where:
bonds (distance) C4'-P energy: -52.072
bonds (distance) P-C4' energy: -51.778
flat angles C4'-P-C4' energy: -49.137
flat angles P-C4'-P energy: -34.575
tors. eta vs tors. theta energy: -69.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -754.016740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.016740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.016740 (E_RNA)
where:
Base-Base interactions energy: -508.864
where: short stacking energy: -229.778
Base-Backbone interact. energy: 0.418
local terms energy: -245.569965
where:
bonds (distance) C4'-P energy: -50.828
bonds (distance) P-C4' energy: -42.689
flat angles C4'-P-C4' energy: -39.198
flat angles P-C4'-P energy: -40.151
tors. eta vs tors. theta energy: -72.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -783.700423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.700423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.700423 (E_RNA)
where:
Base-Base interactions energy: -543.245
where: short stacking energy: -206.440
Base-Backbone interact. energy: 1.334
local terms energy: -241.789038
where:
bonds (distance) C4'-P energy: -52.664
bonds (distance) P-C4' energy: -52.026
flat angles C4'-P-C4' energy: -45.263
flat angles P-C4'-P energy: -36.895
tors. eta vs tors. theta energy: -54.941
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: 6
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -737.575100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.575100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.575100 (E_RNA)
where:
Base-Base interactions energy: -501.895
where: short stacking energy: -199.870
Base-Backbone interact. energy: -1.369
local terms energy: -234.311504
where:
bonds (distance) C4'-P energy: -46.113
bonds (distance) P-C4' energy: -53.570
flat angles C4'-P-C4' energy: -48.348
flat angles P-C4'-P energy: -30.359
tors. eta vs tors. theta energy: -55.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -668.016887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.016887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.016887 (E_RNA)
where:
Base-Base interactions energy: -461.522
where: short stacking energy: -193.074
Base-Backbone interact. energy: -0.285
local terms energy: -206.209854
where:
bonds (distance) C4'-P energy: -40.119
bonds (distance) P-C4' energy: -34.278
flat angles C4'-P-C4' energy: -52.958
flat angles P-C4'-P energy: -32.624
tors. eta vs tors. theta energy: -46.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -585.446726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.446726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.446726 (E_RNA)
where:
Base-Base interactions energy: -400.868
where: short stacking energy: -167.182
Base-Backbone interact. energy: 0.777
local terms energy: -185.354915
where:
bonds (distance) C4'-P energy: -35.129
bonds (distance) P-C4' energy: -53.403
flat angles C4'-P-C4' energy: -33.447
flat angles P-C4'-P energy: -28.365
tors. eta vs tors. theta energy: -35.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -466.139361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.139361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.139361 (E_RNA)
where:
Base-Base interactions energy: -284.693
where: short stacking energy: -138.148
Base-Backbone interact. energy: -1.958
local terms energy: -179.488391
where:
bonds (distance) C4'-P energy: -41.538
bonds (distance) P-C4' energy: -46.720
flat angles C4'-P-C4' energy: -40.081
flat angles P-C4'-P energy: -26.864
tors. eta vs tors. theta energy: -24.286
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: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -978.230837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.230837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.230837 (E_RNA)
where:
Base-Base interactions energy: -699.678
where: short stacking energy: -282.973
Base-Backbone interact. energy: -1.251
local terms energy: -277.301628
where:
bonds (distance) C4'-P energy: -48.500
bonds (distance) P-C4' energy: -49.587
flat angles C4'-P-C4' energy: -52.039
flat angles P-C4'-P energy: -47.109
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: 2, replica: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -929.835040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.835040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.835040 (E_RNA)
where:
Base-Base interactions energy: -637.548
where: short stacking energy: -258.326
Base-Backbone interact. energy: -1.058
local terms energy: -291.229585
where:
bonds (distance) C4'-P energy: -59.697
bonds (distance) P-C4' energy: -52.783
flat angles C4'-P-C4' energy: -57.573
flat angles P-C4'-P energy: -41.846
tors. eta vs tors. theta energy: -79.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -941.108437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.108437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.108437 (E_RNA)
where:
Base-Base interactions energy: -657.498
where: short stacking energy: -264.205
Base-Backbone interact. energy: -1.098
local terms energy: -282.512262
where:
bonds (distance) C4'-P energy: -52.701
bonds (distance) P-C4' energy: -55.324
flat angles C4'-P-C4' energy: -55.389
flat angles P-C4'-P energy: -39.869
tors. eta vs tors. theta energy: -79.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -859.236738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.236738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.236738 (E_RNA)
where:
Base-Base interactions energy: -589.571
where: short stacking energy: -253.974
Base-Backbone interact. energy: -1.275
local terms energy: -268.390374
where:
bonds (distance) C4'-P energy: -57.736
bonds (distance) P-C4' energy: -43.095
flat angles C4'-P-C4' energy: -56.126
flat angles P-C4'-P energy: -44.906
tors. eta vs tors. theta energy: -66.527
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: 7
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -788.006512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.006512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.006512 (E_RNA)
where:
Base-Base interactions energy: -524.970
where: short stacking energy: -223.417
Base-Backbone interact. energy: 1.542
local terms energy: -264.578935
where:
bonds (distance) C4'-P energy: -56.607
bonds (distance) P-C4' energy: -61.658
flat angles C4'-P-C4' energy: -55.987
flat angles P-C4'-P energy: -25.681
tors. eta vs tors. theta energy: -64.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -774.445095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.445095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.445095 (E_RNA)
where:
Base-Base interactions energy: -546.252
where: short stacking energy: -240.687
Base-Backbone interact. energy: -1.209
local terms energy: -226.984902
where:
bonds (distance) C4'-P energy: -47.008
bonds (distance) P-C4' energy: -43.023
flat angles C4'-P-C4' energy: -40.970
flat angles P-C4'-P energy: -33.974
tors. eta vs tors. theta energy: -62.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -733.896691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.896691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.896691 (E_RNA)
where:
Base-Base interactions energy: -496.827
where: short stacking energy: -181.807
Base-Backbone interact. energy: -2.462
local terms energy: -234.607579
where:
bonds (distance) C4'-P energy: -44.434
bonds (distance) P-C4' energy: -42.087
flat angles C4'-P-C4' energy: -57.516
flat angles P-C4'-P energy: -37.505
tors. eta vs tors. theta energy: -53.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -587.096651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.096651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.096651 (E_RNA)
where:
Base-Base interactions energy: -387.431
where: short stacking energy: -171.509
Base-Backbone interact. energy: -0.531
local terms energy: -199.134900
where:
bonds (distance) C4'-P energy: -39.029
bonds (distance) P-C4' energy: -42.725
flat angles C4'-P-C4' energy: -50.826
flat angles P-C4'-P energy: -33.943
tors. eta vs tors. theta energy: -32.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -634.363968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.363968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.363968 (E_RNA)
where:
Base-Base interactions energy: -435.817
where: short stacking energy: -184.435
Base-Backbone interact. energy: -1.201
local terms energy: -197.346431
where:
bonds (distance) C4'-P energy: -42.894
bonds (distance) P-C4' energy: -41.103
flat angles C4'-P-C4' energy: -48.287
flat angles P-C4'-P energy: -22.449
tors. eta vs tors. theta energy: -42.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -428.204607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.204607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.204607 (E_RNA)
where:
Base-Base interactions energy: -256.377
where: short stacking energy: -132.433
Base-Backbone interact. energy: 0.738
local terms energy: -172.565981
where:
bonds (distance) C4'-P energy: -41.524
bonds (distance) P-C4' energy: -47.528
flat angles C4'-P-C4' energy: -34.556
flat angles P-C4'-P energy: -28.820
tors. eta vs tors. theta energy: -20.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -974.051885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.051885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.051885 (E_RNA)
where:
Base-Base interactions energy: -688.226
where: short stacking energy: -279.900
Base-Backbone interact. energy: -1.207
local terms energy: -284.618595
where:
bonds (distance) C4'-P energy: -54.831
bonds (distance) P-C4' energy: -51.639
flat angles C4'-P-C4' energy: -56.810
flat angles P-C4'-P energy: -41.493
tors. eta vs tors. theta energy: -79.845
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: 347
Temperature: 0.950000
Total energy: -931.780640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.780640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.780640 (E_RNA)
where:
Base-Base interactions energy: -642.363
where: short stacking energy: -276.731
Base-Backbone interact. energy: -1.227
local terms energy: -288.189929
where:
bonds (distance) C4'-P energy: -50.190
bonds (distance) P-C4' energy: -54.712
flat angles C4'-P-C4' energy: -62.887
flat angles P-C4'-P energy: -39.243
tors. eta vs tors. theta energy: -81.158
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: 347
Temperature: 1.000000
Total energy: -909.071606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.071606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.071606 (E_RNA)
where:
Base-Base interactions energy: -642.303
where: short stacking energy: -261.219
Base-Backbone interact. energy: 0.593
local terms energy: -267.361618
where:
bonds (distance) C4'-P energy: -45.551
bonds (distance) P-C4' energy: -51.310
flat angles C4'-P-C4' energy: -55.497
flat angles P-C4'-P energy: -39.743
tors. eta vs tors. theta energy: -75.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -843.164492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.164492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.164492 (E_RNA)
where:
Base-Base interactions energy: -591.407
where: short stacking energy: -240.678
Base-Backbone interact. energy: -0.551
local terms energy: -251.205871
where:
bonds (distance) C4'-P energy: -48.325
bonds (distance) P-C4' energy: -46.971
flat angles C4'-P-C4' energy: -49.566
flat angles P-C4'-P energy: -40.206
tors. eta vs tors. theta energy: -66.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -769.420827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.420827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.420827 (E_RNA)
where:
Base-Base interactions energy: -521.957
where: short stacking energy: -236.572
Base-Backbone interact. energy: -1.287
local terms energy: -246.176412
where:
bonds (distance) C4'-P energy: -45.467
bonds (distance) P-C4' energy: -52.693
flat angles C4'-P-C4' energy: -58.231
flat angles P-C4'-P energy: -33.295
tors. eta vs tors. theta energy: -56.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -749.270757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.270757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.270757 (E_RNA)
where:
Base-Base interactions energy: -518.299
where: short stacking energy: -220.135
Base-Backbone interact. energy: 1.188
local terms energy: -232.159463
where:
bonds (distance) C4'-P energy: -47.042
bonds (distance) P-C4' energy: -49.527
flat angles C4'-P-C4' energy: -49.360
flat angles P-C4'-P energy: -25.532
tors. eta vs tors. theta energy: -60.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -718.507047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.507047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.507047 (E_RNA)
where:
Base-Base interactions energy: -497.588
where: short stacking energy: -206.605
Base-Backbone interact. energy: 0.156
local terms energy: -221.075660
where:
bonds (distance) C4'-P energy: -39.419
bonds (distance) P-C4' energy: -45.609
flat angles C4'-P-C4' energy: -42.231
flat angles P-C4'-P energy: -37.831
tors. eta vs tors. theta energy: -55.985
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: 9
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -674.115441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.115441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.115441 (E_RNA)
where:
Base-Base interactions energy: -450.330
where: short stacking energy: -193.521
Base-Backbone interact. energy: -1.894
local terms energy: -221.892226
where:
bonds (distance) C4'-P energy: -38.914
bonds (distance) P-C4' energy: -55.389
flat angles C4'-P-C4' energy: -56.466
flat angles P-C4'-P energy: -36.979
tors. eta vs tors. theta energy: -34.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -630.347921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.347921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.347921 (E_RNA)
where:
Base-Base interactions energy: -430.324
where: short stacking energy: -183.055
Base-Backbone interact. energy: 1.872
local terms energy: -201.895804
where:
bonds (distance) C4'-P energy: -41.927
bonds (distance) P-C4' energy: -43.731
flat angles C4'-P-C4' energy: -33.044
flat angles P-C4'-P energy: -38.727
tors. eta vs tors. theta energy: -44.466
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: 3
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -429.244072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.244072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.244072 (E_RNA)
where:
Base-Base interactions energy: -277.948
where: short stacking energy: -130.227
Base-Backbone interact. energy: -1.578
local terms energy: -149.718022
where:
bonds (distance) C4'-P energy: -42.407
bonds (distance) P-C4' energy: -39.820
flat angles C4'-P-C4' energy: -45.409
flat angles P-C4'-P energy: -16.826
tors. eta vs tors. theta energy: -5.255
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: 1, replica: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -966.441834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.441834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.441834 (E_RNA)
where:
Base-Base interactions energy: -685.889
where: short stacking energy: -279.339
Base-Backbone interact. energy: -3.206
local terms energy: -277.346680
where:
bonds (distance) C4'-P energy: -49.420
bonds (distance) P-C4' energy: -52.659
flat angles C4'-P-C4' energy: -59.334
flat angles P-C4'-P energy: -37.425
tors. eta vs tors. theta energy: -78.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -939.950479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.950479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.950479 (E_RNA)
where:
Base-Base interactions energy: -642.721
where: short stacking energy: -275.354
Base-Backbone interact. energy: -2.244
local terms energy: -294.985212
where:
bonds (distance) C4'-P energy: -56.161
bonds (distance) P-C4' energy: -50.237
flat angles C4'-P-C4' energy: -61.280
flat angles P-C4'-P energy: -46.072
tors. eta vs tors. theta energy: -81.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -901.579263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.579263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.579263 (E_RNA)
where:
Base-Base interactions energy: -628.052
where: short stacking energy: -240.808
Base-Backbone interact. energy: -1.149
local terms energy: -272.378271
where:
bonds (distance) C4'-P energy: -44.529
bonds (distance) P-C4' energy: -55.025
flat angles C4'-P-C4' energy: -61.341
flat angles P-C4'-P energy: -43.155
tors. eta vs tors. theta energy: -68.328
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: 10
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -850.793651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.793651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.793651 (E_RNA)
where:
Base-Base interactions energy: -612.878
where: short stacking energy: -245.568
Base-Backbone interact. energy: -2.205
local terms energy: -235.710568
where:
bonds (distance) C4'-P energy: -53.574
bonds (distance) P-C4' energy: -51.347
flat angles C4'-P-C4' energy: -39.410
flat angles P-C4'-P energy: -25.448
tors. eta vs tors. theta energy: -65.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -792.519474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.519474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.519474 (E_RNA)
where:
Base-Base interactions energy: -533.456
where: short stacking energy: -220.396
Base-Backbone interact. energy: -1.438
local terms energy: -257.625710
where:
bonds (distance) C4'-P energy: -47.924
bonds (distance) P-C4' energy: -53.045
flat angles C4'-P-C4' energy: -53.705
flat angles P-C4'-P energy: -36.821
tors. eta vs tors. theta energy: -66.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -749.623886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.623886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.623886 (E_RNA)
where:
Base-Base interactions energy: -504.957
where: short stacking energy: -209.018
Base-Backbone interact. energy: 0.728
local terms energy: -245.395270
where:
bonds (distance) C4'-P energy: -57.868
bonds (distance) P-C4' energy: -43.100
flat angles C4'-P-C4' energy: -52.306
flat angles P-C4'-P energy: -34.001
tors. eta vs tors. theta energy: -58.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -717.448852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.448852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.448852 (E_RNA)
where:
Base-Base interactions energy: -509.802
where: short stacking energy: -210.483
Base-Backbone interact. energy: -0.087
local terms energy: -207.560183
where:
bonds (distance) C4'-P energy: -34.228
bonds (distance) P-C4' energy: -46.661
flat angles C4'-P-C4' energy: -51.582
flat angles P-C4'-P energy: -24.324
tors. eta vs tors. theta energy: -50.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -702.725123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.725123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.725123 (E_RNA)
where:
Base-Base interactions energy: -472.602
where: short stacking energy: -200.465
Base-Backbone interact. energy: -0.235
local terms energy: -229.887475
where:
bonds (distance) C4'-P energy: -43.147
bonds (distance) P-C4' energy: -53.477
flat angles C4'-P-C4' energy: -50.313
flat angles P-C4'-P energy: -33.893
tors. eta vs tors. theta energy: -49.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -622.970584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.970584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.970584 (E_RNA)
where:
Base-Base interactions energy: -415.463
where: short stacking energy: -193.721
Base-Backbone interact. energy: -0.070
local terms energy: -207.437763
where:
bonds (distance) C4'-P energy: -36.037
bonds (distance) P-C4' energy: -54.445
flat angles C4'-P-C4' energy: -40.549
flat angles P-C4'-P energy: -36.454
tors. eta vs tors. theta energy: -39.953
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: 3
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -428.480791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.480791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.480791 (E_RNA)
where:
Base-Base interactions energy: -263.877
where: short stacking energy: -140.886
Base-Backbone interact. energy: 2.856
local terms energy: -167.460106
where:
bonds (distance) C4'-P energy: -32.548
bonds (distance) P-C4' energy: -45.678
flat angles C4'-P-C4' energy: -46.583
flat angles P-C4'-P energy: -20.961
tors. eta vs tors. theta energy: -21.690
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: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -961.993039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.993039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.993039 (E_RNA)
where:
Base-Base interactions energy: -657.807
where: short stacking energy: -267.144
Base-Backbone interact. energy: -0.859
local terms energy: -303.326935
where:
bonds (distance) C4'-P energy: -56.529
bonds (distance) P-C4' energy: -57.954
flat angles C4'-P-C4' energy: -66.130
flat angles P-C4'-P energy: -43.577
tors. eta vs tors. theta energy: -79.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -961.915828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.915828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.915828 (E_RNA)
where:
Base-Base interactions energy: -690.888
where: short stacking energy: -286.354
Base-Backbone interact. energy: -1.067
local terms energy: -269.961005
where:
bonds (distance) C4'-P energy: -38.425
bonds (distance) P-C4' energy: -47.796
flat angles C4'-P-C4' energy: -61.281
flat angles P-C4'-P energy: -40.751
tors. eta vs tors. theta energy: -81.709
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: 349
Temperature: 1.000000
Total energy: -886.156662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.156662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.156662 (E_RNA)
where:
Base-Base interactions energy: -614.159
where: short stacking energy: -249.529
Base-Backbone interact. energy: -1.199
local terms energy: -270.798437
where:
bonds (distance) C4'-P energy: -53.241
bonds (distance) P-C4' energy: -43.292
flat angles C4'-P-C4' energy: -57.225
flat angles P-C4'-P energy: -39.723
tors. eta vs tors. theta energy: -77.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -857.283919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.283919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.283919 (E_RNA)
where:
Base-Base interactions energy: -596.969
where: short stacking energy: -258.530
Base-Backbone interact. energy: -0.345
local terms energy: -259.969876
where:
bonds (distance) C4'-P energy: -51.821
bonds (distance) P-C4' energy: -44.060
flat angles C4'-P-C4' energy: -54.674
flat angles P-C4'-P energy: -42.207
tors. eta vs tors. theta energy: -67.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -759.253508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.253508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.253508 (E_RNA)
where:
Base-Base interactions energy: -515.979
where: short stacking energy: -222.535
Base-Backbone interact. energy: 1.143
local terms energy: -244.417563
where:
bonds (distance) C4'-P energy: -41.505
bonds (distance) P-C4' energy: -61.014
flat angles C4'-P-C4' energy: -57.992
flat angles P-C4'-P energy: -27.633
tors. eta vs tors. theta energy: -56.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -718.685406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.685406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.685406 (E_RNA)
where:
Base-Base interactions energy: -488.218
where: short stacking energy: -208.601
Base-Backbone interact. energy: -1.221
local terms energy: -229.246871
where:
bonds (distance) C4'-P energy: -48.038
bonds (distance) P-C4' energy: -53.969
flat angles C4'-P-C4' energy: -46.713
flat angles P-C4'-P energy: -32.239
tors. eta vs tors. theta energy: -48.288
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: 2
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -748.318005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.318005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.318005 (E_RNA)
where:
Base-Base interactions energy: -519.172
where: short stacking energy: -211.567
Base-Backbone interact. energy: 1.548
local terms energy: -230.693919
where:
bonds (distance) C4'-P energy: -39.958
bonds (distance) P-C4' energy: -51.912
flat angles C4'-P-C4' energy: -48.792
flat angles P-C4'-P energy: -33.905
tors. eta vs tors. theta energy: -56.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -702.495010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.495010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.495010 (E_RNA)
where:
Base-Base interactions energy: -488.014
where: short stacking energy: -190.920
Base-Backbone interact. energy: -1.148
local terms energy: -213.332735
where:
bonds (distance) C4'-P energy: -52.117
bonds (distance) P-C4' energy: -42.233
flat angles C4'-P-C4' energy: -48.195
flat angles P-C4'-P energy: -25.631
tors. eta vs tors. theta energy: -45.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -618.031285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.031285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.031285 (E_RNA)
where:
Base-Base interactions energy: -415.896
where: short stacking energy: -174.324
Base-Backbone interact. energy: -1.506
local terms energy: -200.629491
where:
bonds (distance) C4'-P energy: -27.854
bonds (distance) P-C4' energy: -48.367
flat angles C4'-P-C4' energy: -49.618
flat angles P-C4'-P energy: -35.722
tors. eta vs tors. theta energy: -39.069
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: 3
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -420.198736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.198736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.198736 (E_RNA)
where:
Base-Base interactions energy: -245.258
where: short stacking energy: -109.522
Base-Backbone interact. energy: -2.420
local terms energy: -172.521140
where:
bonds (distance) C4'-P energy: -34.732
bonds (distance) P-C4' energy: -43.700
flat angles C4'-P-C4' energy: -51.222
flat angles P-C4'-P energy: -24.264
tors. eta vs tors. theta energy: -18.603
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: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -986.792049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.792049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.792049 (E_RNA)
where:
Base-Base interactions energy: -691.177
where: short stacking energy: -287.211
Base-Backbone interact. energy: 3.228
local terms energy: -298.843011
where:
bonds (distance) C4'-P energy: -54.949
bonds (distance) P-C4' energy: -59.921
flat angles C4'-P-C4' energy: -63.415
flat angles P-C4'-P energy: -41.626
tors. eta vs tors. theta energy: -78.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -953.432406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.432406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.432406 (E_RNA)
where:
Base-Base interactions energy: -675.748
where: short stacking energy: -274.683
Base-Backbone interact. energy: -2.997
local terms energy: -274.687631
where:
bonds (distance) C4'-P energy: -44.945
bonds (distance) P-C4' energy: -53.317
flat angles C4'-P-C4' energy: -56.956
flat angles P-C4'-P energy: -43.849
tors. eta vs tors. theta energy: -75.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -895.828062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.828062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.828062 (E_RNA)
where:
Base-Base interactions energy: -636.394
where: short stacking energy: -251.758
Base-Backbone interact. energy: 0.980
local terms energy: -260.414587
where:
bonds (distance) C4'-P energy: -53.585
bonds (distance) P-C4' energy: -46.809
flat angles C4'-P-C4' energy: -51.212
flat angles P-C4'-P energy: -40.567
tors. eta vs tors. theta energy: -68.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -840.565334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.565334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.565334 (E_RNA)
where:
Base-Base interactions energy: -592.519
where: short stacking energy: -235.372
Base-Backbone interact. energy: -1.055
local terms energy: -246.990970
where:
bonds (distance) C4'-P energy: -44.590
bonds (distance) P-C4' energy: -46.332
flat angles C4'-P-C4' energy: -58.065
flat angles P-C4'-P energy: -34.382
tors. eta vs tors. theta energy: -63.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -764.446657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.446657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.446657 (E_RNA)
where:
Base-Base interactions energy: -516.868
where: short stacking energy: -204.617
Base-Backbone interact. energy: -1.320
local terms energy: -246.258544
where:
bonds (distance) C4'-P energy: -45.092
bonds (distance) P-C4' energy: -48.551
flat angles C4'-P-C4' energy: -41.197
flat angles P-C4'-P energy: -48.259
tors. eta vs tors. theta energy: -63.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -744.362001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.362001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.362001 (E_RNA)
where:
Base-Base interactions energy: -495.825
where: short stacking energy: -212.307
Base-Backbone interact. energy: -0.791
local terms energy: -247.746059
where:
bonds (distance) C4'-P energy: -53.115
bonds (distance) P-C4' energy: -51.866
flat angles C4'-P-C4' energy: -46.196
flat angles P-C4'-P energy: -38.945
tors. eta vs tors. theta energy: -57.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -752.378980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.378980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.378980 (E_RNA)
where:
Base-Base interactions energy: -514.489
where: short stacking energy: -208.396
Base-Backbone interact. energy: -1.919
local terms energy: -235.971365
where:
bonds (distance) C4'-P energy: -48.495
bonds (distance) P-C4' energy: -44.461
flat angles C4'-P-C4' energy: -55.472
flat angles P-C4'-P energy: -35.233
tors. eta vs tors. theta energy: -52.311
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: 2
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -714.152143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.152143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.152143 (E_RNA)
where:
Base-Base interactions energy: -490.630
where: short stacking energy: -202.903
Base-Backbone interact. energy: -0.775
local terms energy: -222.747412
where:
bonds (distance) C4'-P energy: -46.110
bonds (distance) P-C4' energy: -45.798
flat angles C4'-P-C4' energy: -50.830
flat angles P-C4'-P energy: -30.495
tors. eta vs tors. theta energy: -49.516
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: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -627.214463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.214463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.214463 (E_RNA)
where:
Base-Base interactions energy: -418.878
where: short stacking energy: -173.939
Base-Backbone interact. energy: 2.323
local terms energy: -210.659313
where:
bonds (distance) C4'-P energy: -44.390
bonds (distance) P-C4' energy: -49.741
flat angles C4'-P-C4' energy: -50.444
flat angles P-C4'-P energy: -31.378
tors. eta vs tors. theta energy: -34.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -434.994618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.994618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.994618 (E_RNA)
where:
Base-Base interactions energy: -271.727
where: short stacking energy: -139.950
Base-Backbone interact. energy: 0.715
local terms energy: -163.982356
where:
bonds (distance) C4'-P energy: -43.139
bonds (distance) P-C4' energy: -37.379
flat angles C4'-P-C4' energy: -36.845
flat angles P-C4'-P energy: -20.468
tors. eta vs tors. theta energy: -26.151
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: 351
Temperature: 0.900000
Total energy: -970.206267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.206267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.206267 (E_RNA)
where:
Base-Base interactions energy: -679.303
where: short stacking energy: -279.614
Base-Backbone interact. energy: -1.543
local terms energy: -289.360527
where:
bonds (distance) C4'-P energy: -55.951
bonds (distance) P-C4' energy: -54.940
flat angles C4'-P-C4' energy: -61.025
flat angles P-C4'-P energy: -41.397
tors. eta vs tors. theta energy: -76.047
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: 4
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -958.679003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.679003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.679003 (E_RNA)
where:
Base-Base interactions energy: -678.519
where: short stacking energy: -269.039
Base-Backbone interact. energy: -0.479
local terms energy: -279.680949
where:
bonds (distance) C4'-P energy: -53.174
bonds (distance) P-C4' energy: -60.233
flat angles C4'-P-C4' energy: -52.088
flat angles P-C4'-P energy: -38.269
tors. eta vs tors. theta energy: -75.916
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: 5
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -888.983525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.983525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.983525 (E_RNA)
where:
Base-Base interactions energy: -620.926
where: short stacking energy: -243.765
Base-Backbone interact. energy: -1.245
local terms energy: -266.813228
where:
bonds (distance) C4'-P energy: -52.835
bonds (distance) P-C4' energy: -52.182
flat angles C4'-P-C4' energy: -52.092
flat angles P-C4'-P energy: -42.681
tors. eta vs tors. theta energy: -67.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -855.482848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.482848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.482848 (E_RNA)
where:
Base-Base interactions energy: -610.583
where: short stacking energy: -244.505
Base-Backbone interact. energy: -0.471
local terms energy: -244.428607
where:
bonds (distance) C4'-P energy: -39.397
bonds (distance) P-C4' energy: -43.546
flat angles C4'-P-C4' energy: -63.422
flat angles P-C4'-P energy: -34.911
tors. eta vs tors. theta energy: -63.152
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: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -765.624065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.624065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.624065 (E_RNA)
where:
Base-Base interactions energy: -534.257
where: short stacking energy: -236.022
Base-Backbone interact. energy: -0.670
local terms energy: -230.697279
where:
bonds (distance) C4'-P energy: -34.850
bonds (distance) P-C4' energy: -47.535
flat angles C4'-P-C4' energy: -54.935
flat angles P-C4'-P energy: -37.507
tors. eta vs tors. theta energy: -55.871
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: 7
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -762.665874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.665874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.665874 (E_RNA)
where:
Base-Base interactions energy: -519.382
where: short stacking energy: -227.879
Base-Backbone interact. energy: -1.456
local terms energy: -241.828329
where:
bonds (distance) C4'-P energy: -49.927
bonds (distance) P-C4' energy: -50.520
flat angles C4'-P-C4' energy: -47.853
flat angles P-C4'-P energy: -29.651
tors. eta vs tors. theta energy: -63.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -720.052736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.052736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.052736 (E_RNA)
where:
Base-Base interactions energy: -509.617
where: short stacking energy: -208.838
Base-Backbone interact. energy: 2.343
local terms energy: -212.778655
where:
bonds (distance) C4'-P energy: -44.255
bonds (distance) P-C4' energy: -40.853
flat angles C4'-P-C4' energy: -46.535
flat angles P-C4'-P energy: -28.932
tors. eta vs tors. theta energy: -52.204
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: 2
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -725.173894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.173894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.173894 (E_RNA)
where:
Base-Base interactions energy: -495.001
where: short stacking energy: -215.512
Base-Backbone interact. energy: -0.130
local terms energy: -230.043156
where:
bonds (distance) C4'-P energy: -43.661
bonds (distance) P-C4' energy: -42.664
flat angles C4'-P-C4' energy: -49.416
flat angles P-C4'-P energy: -34.344
tors. eta vs tors. theta energy: -59.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -649.859151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.859151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.859151 (E_RNA)
where:
Base-Base interactions energy: -436.438
where: short stacking energy: -184.488
Base-Backbone interact. energy: -0.973
local terms energy: -212.448463
where:
bonds (distance) C4'-P energy: -40.745
bonds (distance) P-C4' energy: -41.722
flat angles C4'-P-C4' energy: -53.518
flat angles P-C4'-P energy: -33.164
tors. eta vs tors. theta energy: -43.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -414.854915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.854915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.854915 (E_RNA)
where:
Base-Base interactions energy: -229.857
where: short stacking energy: -119.734
Base-Backbone interact. energy: 0.345
local terms energy: -185.342634
where:
bonds (distance) C4'-P energy: -44.434
bonds (distance) P-C4' energy: -48.581
flat angles C4'-P-C4' energy: -46.932
flat angles P-C4'-P energy: -22.656
tors. eta vs tors. theta energy: -22.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -971.399297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.399297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.399297 (E_RNA)
where:
Base-Base interactions energy: -674.393
where: short stacking energy: -274.900
Base-Backbone interact. energy: -0.837
local terms energy: -296.169131
where:
bonds (distance) C4'-P energy: -54.805
bonds (distance) P-C4' energy: -51.146
flat angles C4'-P-C4' energy: -64.238
flat angles P-C4'-P energy: -42.085
tors. eta vs tors. theta energy: -83.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -939.513193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.513193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.513193 (E_RNA)
where:
Base-Base interactions energy: -654.207
where: short stacking energy: -272.131
Base-Backbone interact. energy: 0.125
local terms energy: -285.430550
where:
bonds (distance) C4'-P energy: -50.848
bonds (distance) P-C4' energy: -63.355
flat angles C4'-P-C4' energy: -55.205
flat angles P-C4'-P energy: -39.618
tors. eta vs tors. theta energy: -76.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -870.162591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.162591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.162591 (E_RNA)
where:
Base-Base interactions energy: -616.019
where: short stacking energy: -235.032
Base-Backbone interact. energy: -0.939
local terms energy: -253.204587
where:
bonds (distance) C4'-P energy: -54.570
bonds (distance) P-C4' energy: -55.025
flat angles C4'-P-C4' energy: -53.636
flat angles P-C4'-P energy: -32.469
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: 4, replica: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -892.065044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.065044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.065044 (E_RNA)
where:
Base-Base interactions energy: -612.339
where: short stacking energy: -261.910
Base-Backbone interact. energy: 0.276
local terms energy: -280.002446
where:
bonds (distance) C4'-P energy: -50.691
bonds (distance) P-C4' energy: -54.601
flat angles C4'-P-C4' energy: -68.278
flat angles P-C4'-P energy: -28.815
tors. eta vs tors. theta energy: -77.617
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: 7
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -734.857147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.857147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.857147 (E_RNA)
where:
Base-Base interactions energy: -511.785
where: short stacking energy: -229.459
Base-Backbone interact. energy: -0.570
local terms energy: -222.501653
where:
bonds (distance) C4'-P energy: -44.057
bonds (distance) P-C4' energy: -47.733
flat angles C4'-P-C4' energy: -44.807
flat angles P-C4'-P energy: -24.576
tors. eta vs tors. theta energy: -61.329
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: 6, replica: 9
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -748.530368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.530368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.530368 (E_RNA)
where:
Base-Base interactions energy: -510.964
where: short stacking energy: -217.967
Base-Backbone interact. energy: -1.111
local terms energy: -236.455115
where:
bonds (distance) C4'-P energy: -48.795
bonds (distance) P-C4' energy: -47.148
flat angles C4'-P-C4' energy: -53.230
flat angles P-C4'-P energy: -36.098
tors. eta vs tors. theta energy: -51.183
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: 2
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -745.458069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.458069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.458069 (E_RNA)
where:
Base-Base interactions energy: -504.656
where: short stacking energy: -226.194
Base-Backbone interact. energy: -0.154
local terms energy: -240.647875
where:
bonds (distance) C4'-P energy: -45.653
bonds (distance) P-C4' energy: -48.709
flat angles C4'-P-C4' energy: -54.609
flat angles P-C4'-P energy: -37.873
tors. eta vs tors. theta energy: -53.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -703.716408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.716408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.716408 (E_RNA)
where:
Base-Base interactions energy: -497.122
where: short stacking energy: -201.117
Base-Backbone interact. energy: -2.257
local terms energy: -204.336880
where:
bonds (distance) C4'-P energy: -41.494
bonds (distance) P-C4' energy: -39.787
flat angles C4'-P-C4' energy: -42.435
flat angles P-C4'-P energy: -30.948
tors. eta vs tors. theta energy: -49.673
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: 9, replica: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -603.334005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.334005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.334005 (E_RNA)
where:
Base-Base interactions energy: -411.545
where: short stacking energy: -186.369
Base-Backbone interact. energy: 0.424
local terms energy: -192.212821
where:
bonds (distance) C4'-P energy: -42.021
bonds (distance) P-C4' energy: -39.046
flat angles C4'-P-C4' energy: -40.695
flat angles P-C4'-P energy: -34.756
tors. eta vs tors. theta energy: -35.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -379.102566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.102566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.102566 (E_RNA)
where:
Base-Base interactions energy: -221.028
where: short stacking energy: -111.525
Base-Backbone interact. energy: -1.410
local terms energy: -156.665138
where:
bonds (distance) C4'-P energy: -40.993
bonds (distance) P-C4' energy: -44.866
flat angles C4'-P-C4' energy: -36.866
flat angles P-C4'-P energy: -21.970
tors. eta vs tors. theta energy: -11.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -971.528293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.528293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.528293 (E_RNA)
where:
Base-Base interactions energy: -682.497
where: short stacking energy: -272.485
Base-Backbone interact. energy: -1.577
local terms energy: -287.453874
where:
bonds (distance) C4'-P energy: -48.222
bonds (distance) P-C4' energy: -51.122
flat angles C4'-P-C4' energy: -62.807
flat angles P-C4'-P energy: -47.467
tors. eta vs tors. theta energy: -77.835
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: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -940.995724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.995724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.995724 (E_RNA)
where:
Base-Base interactions energy: -663.482
where: short stacking energy: -275.368
Base-Backbone interact. energy: -2.195
local terms energy: -275.318793
where:
bonds (distance) C4'-P energy: -58.300
bonds (distance) P-C4' energy: -49.906
flat angles C4'-P-C4' energy: -58.066
flat angles P-C4'-P energy: -36.584
tors. eta vs tors. theta energy: -72.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -846.356354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.356354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.356354 (E_RNA)
where:
Base-Base interactions energy: -593.169
where: short stacking energy: -230.772
Base-Backbone interact. energy: -1.890
local terms energy: -251.297426
where:
bonds (distance) C4'-P energy: -55.866
bonds (distance) P-C4' energy: -49.545
flat angles C4'-P-C4' energy: -55.972
flat angles P-C4'-P energy: -36.011
tors. eta vs tors. theta energy: -53.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -883.099587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.099587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.099587 (E_RNA)
where:
Base-Base interactions energy: -611.776
where: short stacking energy: -255.851
Base-Backbone interact. energy: -0.890
local terms energy: -270.433398
where:
bonds (distance) C4'-P energy: -40.290
bonds (distance) P-C4' energy: -56.330
flat angles C4'-P-C4' energy: -60.607
flat angles P-C4'-P energy: -39.847
tors. eta vs tors. theta energy: -73.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -759.503260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.503260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.503260 (E_RNA)
where:
Base-Base interactions energy: -507.369
where: short stacking energy: -218.720
Base-Backbone interact. energy: -1.448
local terms energy: -250.686168
where:
bonds (distance) C4'-P energy: -62.759
bonds (distance) P-C4' energy: -51.070
flat angles C4'-P-C4' energy: -53.174
flat angles P-C4'-P energy: -34.027
tors. eta vs tors. theta energy: -49.656
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: 6, replica: 9
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -725.699429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.699429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.699429 (E_RNA)
where:
Base-Base interactions energy: -500.893
where: short stacking energy: -217.262
Base-Backbone interact. energy: -0.795
local terms energy: -224.011707
where:
bonds (distance) C4'-P energy: -50.292
bonds (distance) P-C4' energy: -40.981
flat angles C4'-P-C4' energy: -56.767
flat angles P-C4'-P energy: -25.157
tors. eta vs tors. theta energy: -50.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -746.663715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.663715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.663715 (E_RNA)
where:
Base-Base interactions energy: -513.633
where: short stacking energy: -220.134
Base-Backbone interact. energy: -0.090
local terms energy: -232.940317
where:
bonds (distance) C4'-P energy: -44.570
bonds (distance) P-C4' energy: -41.636
flat angles C4'-P-C4' energy: -48.168
flat angles P-C4'-P energy: -36.419
tors. eta vs tors. theta energy: -62.146
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: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -701.045120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.045120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.045120 (E_RNA)
where:
Base-Base interactions energy: -486.256
where: short stacking energy: -211.137
Base-Backbone interact. energy: -1.141
local terms energy: -213.648598
where:
bonds (distance) C4'-P energy: -42.442
bonds (distance) P-C4' energy: -40.641
flat angles C4'-P-C4' energy: -51.081
flat angles P-C4'-P energy: -27.195
tors. eta vs tors. theta energy: -52.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -593.387896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.387896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.387896 (E_RNA)
where:
Base-Base interactions energy: -392.038
where: short stacking energy: -160.985
Base-Backbone interact. energy: -1.104
local terms energy: -200.246885
where:
bonds (distance) C4'-P energy: -51.475
bonds (distance) P-C4' energy: -43.948
flat angles C4'-P-C4' energy: -51.503
flat angles P-C4'-P energy: -27.823
tors. eta vs tors. theta energy: -25.499
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: 3
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -394.148686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.148686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.148686 (E_RNA)
where:
Base-Base interactions energy: -228.408
where: short stacking energy: -133.749
Base-Backbone interact. energy: -0.396
local terms energy: -165.344649
where:
bonds (distance) C4'-P energy: -42.853
bonds (distance) P-C4' energy: -36.411
flat angles C4'-P-C4' energy: -42.855
flat angles P-C4'-P energy: -22.325
tors. eta vs tors. theta energy: -20.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -990.459045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.459045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.459045 (E_RNA)
where:
Base-Base interactions energy: -683.949
where: short stacking energy: -287.428
Base-Backbone interact. energy: -1.463
local terms energy: -305.046936
where:
bonds (distance) C4'-P energy: -54.547
bonds (distance) P-C4' energy: -66.307
flat angles C4'-P-C4' energy: -61.561
flat angles P-C4'-P energy: -38.994
tors. eta vs tors. theta energy: -83.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -934.976470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.976470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.976470 (E_RNA)
where:
Base-Base interactions energy: -642.995
where: short stacking energy: -277.505
Base-Backbone interact. energy: 0.420
local terms energy: -292.401635
where:
bonds (distance) C4'-P energy: -55.969
bonds (distance) P-C4' energy: -54.464
flat angles C4'-P-C4' energy: -61.763
flat angles P-C4'-P energy: -41.257
tors. eta vs tors. theta energy: -78.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -921.381207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.381207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.381207 (E_RNA)
where:
Base-Base interactions energy: -650.216
where: short stacking energy: -267.932
Base-Backbone interact. energy: -0.312
local terms energy: -270.853196
where:
bonds (distance) C4'-P energy: -57.365
bonds (distance) P-C4' energy: -52.601
flat angles C4'-P-C4' energy: -52.636
flat angles P-C4'-P energy: -41.162
tors. eta vs tors. theta energy: -67.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -839.993539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.993539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.993539 (E_RNA)
where:
Base-Base interactions energy: -585.674
where: short stacking energy: -238.573
Base-Backbone interact. energy: -3.481
local terms energy: -250.838818
where:
bonds (distance) C4'-P energy: -45.997
bonds (distance) P-C4' energy: -50.502
flat angles C4'-P-C4' energy: -49.289
flat angles P-C4'-P energy: -42.646
tors. eta vs tors. theta energy: -62.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -766.780734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.780734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.780734 (E_RNA)
where:
Base-Base interactions energy: -518.206
where: short stacking energy: -217.443
Base-Backbone interact. energy: -1.918
local terms energy: -246.657000
where:
bonds (distance) C4'-P energy: -43.431
bonds (distance) P-C4' energy: -56.484
flat angles C4'-P-C4' energy: -48.041
flat angles P-C4'-P energy: -41.205
tors. eta vs tors. theta energy: -57.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -740.817479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.817479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.817479 (E_RNA)
where:
Base-Base interactions energy: -511.803
where: short stacking energy: -222.208
Base-Backbone interact. energy: 0.053
local terms energy: -229.066516
where:
bonds (distance) C4'-P energy: -45.279
bonds (distance) P-C4' energy: -46.065
flat angles C4'-P-C4' energy: -53.797
flat angles P-C4'-P energy: -24.659
tors. eta vs tors. theta energy: -59.266
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: 354
Temperature: 1.200000
Total energy: -737.631652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.631652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.631652 (E_RNA)
where:
Base-Base interactions energy: -508.153
where: short stacking energy: -208.487
Base-Backbone interact. energy: -1.309
local terms energy: -228.169928
where:
bonds (distance) C4'-P energy: -43.478
bonds (distance) P-C4' energy: -57.017
flat angles C4'-P-C4' energy: -43.233
flat angles P-C4'-P energy: -31.523
tors. eta vs tors. theta energy: -52.919
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: 8, replica: 2
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -711.217136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.217136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.217136 (E_RNA)
where:
Base-Base interactions energy: -495.456
where: short stacking energy: -207.066
Base-Backbone interact. energy: 1.592
local terms energy: -217.352663
where:
bonds (distance) C4'-P energy: -48.814
bonds (distance) P-C4' energy: -47.655
flat angles C4'-P-C4' energy: -38.140
flat angles P-C4'-P energy: -30.547
tors. eta vs tors. theta energy: -52.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -610.141969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.141969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.141969 (E_RNA)
where:
Base-Base interactions energy: -417.212
where: short stacking energy: -176.862
Base-Backbone interact. energy: 1.007
local terms energy: -193.936879
where:
bonds (distance) C4'-P energy: -33.948
bonds (distance) P-C4' energy: -48.719
flat angles C4'-P-C4' energy: -52.833
flat angles P-C4'-P energy: -22.108
tors. eta vs tors. theta energy: -36.329
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: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -374.311514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.311514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.311514 (E_RNA)
where:
Base-Base interactions energy: -228.164
where: short stacking energy: -110.974
Base-Backbone interact. energy: -0.325
local terms energy: -145.822266
where:
bonds (distance) C4'-P energy: -50.325
bonds (distance) P-C4' energy: -28.743
flat angles C4'-P-C4' energy: -36.187
flat angles P-C4'-P energy: -28.324
tors. eta vs tors. theta energy: -2.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -968.010028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.010028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.010028 (E_RNA)
where:
Base-Base interactions energy: -681.857
where: short stacking energy: -276.066
Base-Backbone interact. energy: -0.728
local terms energy: -285.425123
where:
bonds (distance) C4'-P energy: -50.937
bonds (distance) P-C4' energy: -47.566
flat angles C4'-P-C4' energy: -62.994
flat angles P-C4'-P energy: -47.351
tors. eta vs tors. theta energy: -76.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -946.076018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.076018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.076018 (E_RNA)
where:
Base-Base interactions energy: -658.358
where: short stacking energy: -269.832
Base-Backbone interact. energy: -0.584
local terms energy: -287.134553
where:
bonds (distance) C4'-P energy: -53.896
bonds (distance) P-C4' energy: -54.039
flat angles C4'-P-C4' energy: -64.194
flat angles P-C4'-P energy: -41.511
tors. eta vs tors. theta energy: -73.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -917.057564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.057564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.057564 (E_RNA)
where:
Base-Base interactions energy: -637.969
where: short stacking energy: -267.745
Base-Backbone interact. energy: -0.328
local terms energy: -278.760354
where:
bonds (distance) C4'-P energy: -50.332
bonds (distance) P-C4' energy: -53.914
flat angles C4'-P-C4' energy: -58.452
flat angles P-C4'-P energy: -38.895
tors. eta vs tors. theta energy: -77.167
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: 4, replica: 10
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -829.586334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.586334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.586334 (E_RNA)
where:
Base-Base interactions energy: -587.133
where: short stacking energy: -228.288
Base-Backbone interact. energy: -1.641
local terms energy: -240.811985
where:
bonds (distance) C4'-P energy: -54.935
bonds (distance) P-C4' energy: -42.915
flat angles C4'-P-C4' energy: -54.185
flat angles P-C4'-P energy: -33.740
tors. eta vs tors. theta energy: -55.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -768.328147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.328147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.328147 (E_RNA)
where:
Base-Base interactions energy: -500.786
where: short stacking energy: -218.715
Base-Backbone interact. energy: -0.617
local terms energy: -266.924723
where:
bonds (distance) C4'-P energy: -55.326
bonds (distance) P-C4' energy: -56.733
flat angles C4'-P-C4' energy: -57.379
flat angles P-C4'-P energy: -40.240
tors. eta vs tors. theta energy: -57.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -766.228659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.228659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.228659 (E_RNA)
where:
Base-Base interactions energy: -524.313
where: short stacking energy: -235.148
Base-Backbone interact. energy: -0.419
local terms energy: -241.497548
where:
bonds (distance) C4'-P energy: -38.279
bonds (distance) P-C4' energy: -47.523
flat angles C4'-P-C4' energy: -60.305
flat angles P-C4'-P energy: -37.690
tors. eta vs tors. theta energy: -57.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -733.111574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.111574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.111574 (E_RNA)
where:
Base-Base interactions energy: -497.642
where: short stacking energy: -206.384
Base-Backbone interact. energy: -2.267
local terms energy: -233.202662
where:
bonds (distance) C4'-P energy: -40.223
bonds (distance) P-C4' energy: -46.657
flat angles C4'-P-C4' energy: -55.016
flat angles P-C4'-P energy: -34.658
tors. eta vs tors. theta energy: -56.649
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: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -664.823971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.823971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.823971 (E_RNA)
where:
Base-Base interactions energy: -439.800
where: short stacking energy: -194.211
Base-Backbone interact. energy: -0.800
local terms energy: -224.224071
where:
bonds (distance) C4'-P energy: -46.818
bonds (distance) P-C4' energy: -43.140
flat angles C4'-P-C4' energy: -52.622
flat angles P-C4'-P energy: -29.383
tors. eta vs tors. theta energy: -52.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -674.116163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.116163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.116163 (E_RNA)
where:
Base-Base interactions energy: -470.885
where: short stacking energy: -187.010
Base-Backbone interact. energy: 1.152
local terms energy: -204.382274
where:
bonds (distance) C4'-P energy: -51.462
bonds (distance) P-C4' energy: -48.061
flat angles C4'-P-C4' energy: -35.277
flat angles P-C4'-P energy: -18.997
tors. eta vs tors. theta energy: -50.586
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: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -393.199618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.199618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.199618 (E_RNA)
where:
Base-Base interactions energy: -237.784
where: short stacking energy: -117.892
Base-Backbone interact. energy: -0.987
local terms energy: -154.428405
where:
bonds (distance) C4'-P energy: -29.742
bonds (distance) P-C4' energy: -50.543
flat angles C4'-P-C4' energy: -39.027
flat angles P-C4'-P energy: -25.383
tors. eta vs tors. theta energy: -9.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -957.947225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.947225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.947225 (E_RNA)
where:
Base-Base interactions energy: -673.464
where: short stacking energy: -276.225
Base-Backbone interact. energy: -2.138
local terms energy: -282.345273
where:
bonds (distance) C4'-P energy: -55.591
bonds (distance) P-C4' energy: -49.272
flat angles C4'-P-C4' energy: -59.395
flat angles P-C4'-P energy: -41.411
tors. eta vs tors. theta energy: -76.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -944.357857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.357857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.357857 (E_RNA)
where:
Base-Base interactions energy: -651.427
where: short stacking energy: -265.640
Base-Backbone interact. energy: -1.107
local terms energy: -291.824555
where:
bonds (distance) C4'-P energy: -52.790
bonds (distance) P-C4' energy: -58.945
flat angles C4'-P-C4' energy: -57.291
flat angles P-C4'-P energy: -40.627
tors. eta vs tors. theta energy: -82.171
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: 3, replica: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -894.870420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.870420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.870420 (E_RNA)
where:
Base-Base interactions energy: -622.826
where: short stacking energy: -258.337
Base-Backbone interact. energy: -2.299
local terms energy: -269.745103
where:
bonds (distance) C4'-P energy: -53.902
bonds (distance) P-C4' energy: -54.620
flat angles C4'-P-C4' energy: -55.370
flat angles P-C4'-P energy: -35.224
tors. eta vs tors. theta energy: -70.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -840.116036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.116036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.116036 (E_RNA)
where:
Base-Base interactions energy: -586.345
where: short stacking energy: -232.504
Base-Backbone interact. energy: -1.012
local terms energy: -252.759126
where:
bonds (distance) C4'-P energy: -57.736
bonds (distance) P-C4' energy: -50.228
flat angles C4'-P-C4' energy: -43.291
flat angles P-C4'-P energy: -37.615
tors. eta vs tors. theta energy: -63.888
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: 356
Temperature: 1.100000
Total energy: -824.563463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.563463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.563463 (E_RNA)
where:
Base-Base interactions energy: -576.878
where: short stacking energy: -259.669
Base-Backbone interact. energy: -1.016
local terms energy: -246.670158
where:
bonds (distance) C4'-P energy: -42.923
bonds (distance) P-C4' energy: -64.748
flat angles C4'-P-C4' energy: -51.881
flat angles P-C4'-P energy: -24.829
tors. eta vs tors. theta energy: -62.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -729.037134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.037134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.037134 (E_RNA)
where:
Base-Base interactions energy: -489.450
where: short stacking energy: -221.471
Base-Backbone interact. energy: -0.279
local terms energy: -239.308009
where:
bonds (distance) C4'-P energy: -51.563
bonds (distance) P-C4' energy: -45.716
flat angles C4'-P-C4' energy: -53.160
flat angles P-C4'-P energy: -30.462
tors. eta vs tors. theta energy: -58.406
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: 9
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -726.617126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.617126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.617126 (E_RNA)
where:
Base-Base interactions energy: -506.536
where: short stacking energy: -206.816
Base-Backbone interact. energy: -1.573
local terms energy: -218.508157
where:
bonds (distance) C4'-P energy: -41.334
bonds (distance) P-C4' energy: -44.986
flat angles C4'-P-C4' energy: -52.597
flat angles P-C4'-P energy: -28.524
tors. eta vs tors. theta energy: -51.066
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: 356
Temperature: 1.250000
Total energy: -642.509953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.509953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.509953 (E_RNA)
where:
Base-Base interactions energy: -428.968
where: short stacking energy: -179.015
Base-Backbone interact. energy: -2.562
local terms energy: -210.979850
where:
bonds (distance) C4'-P energy: -52.607
bonds (distance) P-C4' energy: -43.408
flat angles C4'-P-C4' energy: -42.293
flat angles P-C4'-P energy: -36.153
tors. eta vs tors. theta energy: -36.519
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: 9, replica: 2
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -651.947980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.947980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.947980 (E_RNA)
where:
Base-Base interactions energy: -442.012
where: short stacking energy: -190.545
Base-Backbone interact. energy: -0.124
local terms energy: -209.811943
where:
bonds (distance) C4'-P energy: -39.382
bonds (distance) P-C4' energy: -45.546
flat angles C4'-P-C4' energy: -48.931
flat angles P-C4'-P energy: -37.535
tors. eta vs tors. theta energy: -38.418
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: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -443.900445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.900445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.900445 (E_RNA)
where:
Base-Base interactions energy: -283.730
where: short stacking energy: -140.851
Base-Backbone interact. energy: 5.287
local terms energy: -165.457430
where:
bonds (distance) C4'-P energy: -33.536
bonds (distance) P-C4' energy: -46.869
flat angles C4'-P-C4' energy: -37.172
flat angles P-C4'-P energy: -28.657
tors. eta vs tors. theta energy: -19.224
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: 4
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -971.795109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.795109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.795109 (E_RNA)
where:
Base-Base interactions energy: -679.506
where: short stacking energy: -271.942
Base-Backbone interact. energy: -1.354
local terms energy: -290.934589
where:
bonds (distance) C4'-P energy: -55.607
bonds (distance) P-C4' energy: -53.887
flat angles C4'-P-C4' energy: -64.256
flat angles P-C4'-P energy: -40.947
tors. eta vs tors. theta energy: -76.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -940.624962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.624962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.624962 (E_RNA)
where:
Base-Base interactions energy: -655.938
where: short stacking energy: -274.998
Base-Backbone interact. energy: -0.904
local terms energy: -283.782787
where:
bonds (distance) C4'-P energy: -50.124
bonds (distance) P-C4' energy: -55.462
flat angles C4'-P-C4' energy: -65.320
flat angles P-C4'-P energy: -40.309
tors. eta vs tors. theta energy: -72.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -901.274385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.274385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.274385 (E_RNA)
where:
Base-Base interactions energy: -633.222
where: short stacking energy: -259.477
Base-Backbone interact. energy: -0.934
local terms energy: -267.119254
where:
bonds (distance) C4'-P energy: -44.627
bonds (distance) P-C4' energy: -47.861
flat angles C4'-P-C4' energy: -59.718
flat angles P-C4'-P energy: -37.920
tors. eta vs tors. theta energy: -76.992
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: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -838.150802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.150802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.150802 (E_RNA)
where:
Base-Base interactions energy: -582.503
where: short stacking energy: -245.961
Base-Backbone interact. energy: 3.056
local terms energy: -258.703639
where:
bonds (distance) C4'-P energy: -51.556
bonds (distance) P-C4' energy: -55.188
flat angles C4'-P-C4' energy: -55.401
flat angles P-C4'-P energy: -33.542
tors. eta vs tors. theta energy: -63.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -781.209331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.209331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.209331 (E_RNA)
where:
Base-Base interactions energy: -549.503
where: short stacking energy: -226.469
Base-Backbone interact. energy: -0.825
local terms energy: -230.881721
where:
bonds (distance) C4'-P energy: -44.510
bonds (distance) P-C4' energy: -49.037
flat angles C4'-P-C4' energy: -53.127
flat angles P-C4'-P energy: -27.034
tors. eta vs tors. theta energy: -57.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -766.849947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.849947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.849947 (E_RNA)
where:
Base-Base interactions energy: -538.278
where: short stacking energy: -221.120
Base-Backbone interact. energy: -1.167
local terms energy: -227.405116
where:
bonds (distance) C4'-P energy: -40.065
bonds (distance) P-C4' energy: -46.757
flat angles C4'-P-C4' energy: -49.200
flat angles P-C4'-P energy: -27.615
tors. eta vs tors. theta energy: -63.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -716.706597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.706597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.706597 (E_RNA)
where:
Base-Base interactions energy: -495.727
where: short stacking energy: -223.001
Base-Backbone interact. energy: -2.784
local terms energy: -218.195590
where:
bonds (distance) C4'-P energy: -37.812
bonds (distance) P-C4' energy: -44.887
flat angles C4'-P-C4' energy: -48.637
flat angles P-C4'-P energy: -30.533
tors. eta vs tors. theta energy: -56.327
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: 8, replica: 2
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -674.243436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.243436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.243436 (E_RNA)
where:
Base-Base interactions energy: -460.291
where: short stacking energy: -208.045
Base-Backbone interact. energy: -0.716
local terms energy: -213.236272
where:
bonds (distance) C4'-P energy: -34.999
bonds (distance) P-C4' energy: -54.760
flat angles C4'-P-C4' energy: -44.850
flat angles P-C4'-P energy: -21.989
tors. eta vs tors. theta energy: -56.639
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: 8
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -619.409027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.409027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.409027 (E_RNA)
where:
Base-Base interactions energy: -432.709
where: short stacking energy: -196.268
Base-Backbone interact. energy: 1.622
local terms energy: -188.321695
where:
bonds (distance) C4'-P energy: -37.835
bonds (distance) P-C4' energy: -47.810
flat angles C4'-P-C4' energy: -30.729
flat angles P-C4'-P energy: -33.600
tors. eta vs tors. theta energy: -38.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -477.901431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.901431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.901431 (E_RNA)
where:
Base-Base interactions energy: -292.642
where: short stacking energy: -134.916
Base-Backbone interact. energy: 0.983
local terms energy: -186.242384
where:
bonds (distance) C4'-P energy: -47.233
bonds (distance) P-C4' energy: -36.469
flat angles C4'-P-C4' energy: -42.592
flat angles P-C4'-P energy: -32.281
tors. eta vs tors. theta energy: -27.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -973.377073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.377073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.377073 (E_RNA)
where:
Base-Base interactions energy: -687.481
where: short stacking energy: -283.947
Base-Backbone interact. energy: -0.807
local terms energy: -285.088677
where:
bonds (distance) C4'-P energy: -53.687
bonds (distance) P-C4' energy: -43.753
flat angles C4'-P-C4' energy: -64.211
flat angles P-C4'-P energy: -38.199
tors. eta vs tors. theta energy: -85.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -957.495363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.495363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.495363 (E_RNA)
where:
Base-Base interactions energy: -677.798
where: short stacking energy: -282.009
Base-Backbone interact. energy: -0.738
local terms energy: -278.959327
where:
bonds (distance) C4'-P energy: -47.855
bonds (distance) P-C4' energy: -47.660
flat angles C4'-P-C4' energy: -59.729
flat angles P-C4'-P energy: -45.083
tors. eta vs tors. theta energy: -78.632
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: 3, replica: 10
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -863.181931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.181931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.181931 (E_RNA)
where:
Base-Base interactions energy: -622.125
where: short stacking energy: -235.902
Base-Backbone interact. energy: -1.594
local terms energy: -239.462432
where:
bonds (distance) C4'-P energy: -43.040
bonds (distance) P-C4' energy: -51.098
flat angles C4'-P-C4' energy: -57.217
flat angles P-C4'-P energy: -28.246
tors. eta vs tors. theta energy: -59.861
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: 358
Temperature: 1.050000
Total energy: -887.321429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.321429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.321429 (E_RNA)
where:
Base-Base interactions energy: -639.285
where: short stacking energy: -260.240
Base-Backbone interact. energy: 0.725
local terms energy: -248.761116
where:
bonds (distance) C4'-P energy: -46.322
bonds (distance) P-C4' energy: -46.576
flat angles C4'-P-C4' energy: -50.212
flat angles P-C4'-P energy: -29.018
tors. eta vs tors. theta energy: -76.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -787.834835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.834835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.834835 (E_RNA)
where:
Base-Base interactions energy: -534.712
where: short stacking energy: -208.095
Base-Backbone interact. energy: -1.377
local terms energy: -251.745534
where:
bonds (distance) C4'-P energy: -48.090
bonds (distance) P-C4' energy: -52.348
flat angles C4'-P-C4' energy: -62.887
flat angles P-C4'-P energy: -36.657
tors. eta vs tors. theta energy: -51.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -761.143355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.143355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.143355 (E_RNA)
where:
Base-Base interactions energy: -528.205
where: short stacking energy: -221.608
Base-Backbone interact. energy: -3.142
local terms energy: -229.795687
where:
bonds (distance) C4'-P energy: -46.705
bonds (distance) P-C4' energy: -42.627
flat angles C4'-P-C4' energy: -46.398
flat angles P-C4'-P energy: -29.838
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: 7, replica: 7
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -733.940963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.940963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.940963 (E_RNA)
where:
Base-Base interactions energy: -496.866
where: short stacking energy: -204.863
Base-Backbone interact. energy: 0.866
local terms energy: -237.940861
where:
bonds (distance) C4'-P energy: -48.344
bonds (distance) P-C4' energy: -46.443
flat angles C4'-P-C4' energy: -56.426
flat angles P-C4'-P energy: -36.180
tors. eta vs tors. theta energy: -50.548
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: 2
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -726.676725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.676725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.676725 (E_RNA)
where:
Base-Base interactions energy: -525.367
where: short stacking energy: -221.777
Base-Backbone interact. energy: -0.419
local terms energy: -200.890755
where:
bonds (distance) C4'-P energy: -40.365
bonds (distance) P-C4' energy: -40.277
flat angles C4'-P-C4' energy: -40.771
flat angles P-C4'-P energy: -25.742
tors. eta vs tors. theta energy: -53.737
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: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -621.709855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.709855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.709855 (E_RNA)
where:
Base-Base interactions energy: -423.375
where: short stacking energy: -188.306
Base-Backbone interact. energy: 0.003
local terms energy: -198.337726
where:
bonds (distance) C4'-P energy: -39.803
bonds (distance) P-C4' energy: -36.093
flat angles C4'-P-C4' energy: -51.259
flat angles P-C4'-P energy: -31.954
tors. eta vs tors. theta energy: -39.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -426.317761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.317761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.317761 (E_RNA)
where:
Base-Base interactions energy: -252.460
where: short stacking energy: -126.497
Base-Backbone interact. energy: 1.043
local terms energy: -174.900854
where:
bonds (distance) C4'-P energy: -43.584
bonds (distance) P-C4' energy: -37.358
flat angles C4'-P-C4' energy: -47.150
flat angles P-C4'-P energy: -27.808
tors. eta vs tors. theta energy: -19.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -964.224806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.224806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.224806 (E_RNA)
where:
Base-Base interactions energy: -672.595
where: short stacking energy: -272.210
Base-Backbone interact. energy: -1.041
local terms energy: -290.589088
where:
bonds (distance) C4'-P energy: -55.984
bonds (distance) P-C4' energy: -53.156
flat angles C4'-P-C4' energy: -59.527
flat angles P-C4'-P energy: -42.484
tors. eta vs tors. theta energy: -79.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -961.086543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.086543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.086543 (E_RNA)
where:
Base-Base interactions energy: -675.207
where: short stacking energy: -277.594
Base-Backbone interact. energy: 1.467
local terms energy: -287.346418
where:
bonds (distance) C4'-P energy: -54.147
bonds (distance) P-C4' energy: -58.847
flat angles C4'-P-C4' energy: -55.348
flat angles P-C4'-P energy: -42.090
tors. eta vs tors. theta energy: -76.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -882.921122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.921122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.921122 (E_RNA)
where:
Base-Base interactions energy: -614.125
where: short stacking energy: -246.416
Base-Backbone interact. energy: -0.355
local terms energy: -268.441282
where:
bonds (distance) C4'-P energy: -44.564
bonds (distance) P-C4' energy: -58.498
flat angles C4'-P-C4' energy: -58.816
flat angles P-C4'-P energy: -37.146
tors. eta vs tors. theta energy: -69.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -881.052508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.052508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.052508 (E_RNA)
where:
Base-Base interactions energy: -605.730
where: short stacking energy: -250.325
Base-Backbone interact. energy: 0.561
local terms energy: -275.884281
where:
bonds (distance) C4'-P energy: -40.874
bonds (distance) P-C4' energy: -58.478
flat angles C4'-P-C4' energy: -62.574
flat angles P-C4'-P energy: -41.691
tors. eta vs tors. theta energy: -72.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -786.424178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.424178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.424178 (E_RNA)
where:
Base-Base interactions energy: -540.024
where: short stacking energy: -232.459
Base-Backbone interact. energy: -1.366
local terms energy: -245.033636
where:
bonds (distance) C4'-P energy: -46.045
bonds (distance) P-C4' energy: -49.850
flat angles C4'-P-C4' energy: -50.683
flat angles P-C4'-P energy: -40.172
tors. eta vs tors. theta energy: -58.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -772.166465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.166465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.166465 (E_RNA)
where:
Base-Base interactions energy: -554.933
where: short stacking energy: -217.127
Base-Backbone interact. energy: -0.963
local terms energy: -216.270383
where:
bonds (distance) C4'-P energy: -33.113
bonds (distance) P-C4' energy: -41.825
flat angles C4'-P-C4' energy: -51.051
flat angles P-C4'-P energy: -37.221
tors. eta vs tors. theta energy: -53.060
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: 7
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -718.717384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.717384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.717384 (E_RNA)
where:
Base-Base interactions energy: -502.625
where: short stacking energy: -202.908
Base-Backbone interact. energy: 2.570
local terms energy: -218.661807
where:
bonds (distance) C4'-P energy: -40.009
bonds (distance) P-C4' energy: -44.614
flat angles C4'-P-C4' energy: -52.182
flat angles P-C4'-P energy: -33.043
tors. eta vs tors. theta energy: -48.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -717.563469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.563469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.563469 (E_RNA)
where:
Base-Base interactions energy: -483.024
where: short stacking energy: -197.573
Base-Backbone interact. energy: -1.153
local terms energy: -233.385689
where:
bonds (distance) C4'-P energy: -47.993
bonds (distance) P-C4' energy: -47.802
flat angles C4'-P-C4' energy: -54.084
flat angles P-C4'-P energy: -36.746
tors. eta vs tors. theta energy: -46.761
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: 8
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -637.602260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.602260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.602260 (E_RNA)
where:
Base-Base interactions energy: -438.672
where: short stacking energy: -195.716
Base-Backbone interact. energy: -1.167
local terms energy: -197.762622
where:
bonds (distance) C4'-P energy: -37.445
bonds (distance) P-C4' energy: -43.946
flat angles C4'-P-C4' energy: -49.939
flat angles P-C4'-P energy: -22.995
tors. eta vs tors. theta energy: -43.438
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: 3
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -361.006941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.006941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.006941 (E_RNA)
where:
Base-Base interactions energy: -189.120
where: short stacking energy: -112.035
Base-Backbone interact. energy: 1.264
local terms energy: -173.150814
where:
bonds (distance) C4'-P energy: -41.386
bonds (distance) P-C4' energy: -46.321
flat angles C4'-P-C4' energy: -46.275
flat angles P-C4'-P energy: -23.020
tors. eta vs tors. theta energy: -16.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -963.275278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.275278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.275278 (E_RNA)
where:
Base-Base interactions energy: -668.205
where: short stacking energy: -279.167
Base-Backbone interact. energy: -2.001
local terms energy: -293.068728
where:
bonds (distance) C4'-P energy: -58.852
bonds (distance) P-C4' energy: -56.791
flat angles C4'-P-C4' energy: -58.304
flat angles P-C4'-P energy: -44.109
tors. eta vs tors. theta energy: -75.012
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: 4
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -963.494802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.494802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.494802 (E_RNA)
where:
Base-Base interactions energy: -681.403
where: short stacking energy: -278.673
Base-Backbone interact. energy: -1.977
local terms energy: -280.115202
where:
bonds (distance) C4'-P energy: -50.822
bonds (distance) P-C4' energy: -49.245
flat angles C4'-P-C4' energy: -57.778
flat angles P-C4'-P energy: -45.325
tors. eta vs tors. theta energy: -76.945
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: 5
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -884.106003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.106003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.106003 (E_RNA)
where:
Base-Base interactions energy: -622.277
where: short stacking energy: -268.412
Base-Backbone interact. energy: 1.656
local terms energy: -263.484794
where:
bonds (distance) C4'-P energy: -47.740
bonds (distance) P-C4' energy: -42.352
flat angles C4'-P-C4' energy: -60.227
flat angles P-C4'-P energy: -38.539
tors. eta vs tors. theta energy: -74.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -873.313984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.313984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.313984 (E_RNA)
where:
Base-Base interactions energy: -623.867
where: short stacking energy: -246.722
Base-Backbone interact. energy: 0.412
local terms energy: -249.859453
where:
bonds (distance) C4'-P energy: -49.274
bonds (distance) P-C4' energy: -44.728
flat angles C4'-P-C4' energy: -51.423
flat angles P-C4'-P energy: -44.092
tors. eta vs tors. theta energy: -60.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -798.141766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.141766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.141766 (E_RNA)
where:
Base-Base interactions energy: -560.862
where: short stacking energy: -228.720
Base-Backbone interact. energy: 0.283
local terms energy: -237.562960
where:
bonds (distance) C4'-P energy: -49.002
bonds (distance) P-C4' energy: -40.941
flat angles C4'-P-C4' energy: -56.046
flat angles P-C4'-P energy: -34.274
tors. eta vs tors. theta energy: -57.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -754.566654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.566654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.566654 (E_RNA)
where:
Base-Base interactions energy: -535.712
where: short stacking energy: -217.963
Base-Backbone interact. energy: -2.878
local terms energy: -215.975725
where:
bonds (distance) C4'-P energy: -41.785
bonds (distance) P-C4' energy: -44.337
flat angles C4'-P-C4' energy: -48.020
flat angles P-C4'-P energy: -22.857
tors. eta vs tors. theta energy: -58.977
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: 2
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -706.344142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.344142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.344142 (E_RNA)
where:
Base-Base interactions energy: -472.370
where: short stacking energy: -199.276
Base-Backbone interact. energy: -0.683
local terms energy: -233.291598
where:
bonds (distance) C4'-P energy: -51.496
bonds (distance) P-C4' energy: -55.151
flat angles C4'-P-C4' energy: -45.025
flat angles P-C4'-P energy: -32.918
tors. eta vs tors. theta energy: -48.702
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: 360
Temperature: 1.250000
Total energy: -689.775272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.775272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.775272 (E_RNA)
where:
Base-Base interactions energy: -482.591
where: short stacking energy: -199.290
Base-Backbone interact. energy: -0.815
local terms energy: -206.369417
where:
bonds (distance) C4'-P energy: -40.446
bonds (distance) P-C4' energy: -34.470
flat angles C4'-P-C4' energy: -53.179
flat angles P-C4'-P energy: -32.551
tors. eta vs tors. theta energy: -45.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -639.674465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.674465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.674465 (E_RNA)
where:
Base-Base interactions energy: -439.061
where: short stacking energy: -190.792
Base-Backbone interact. energy: -0.962
local terms energy: -199.652347
where:
bonds (distance) C4'-P energy: -43.805
bonds (distance) P-C4' energy: -48.058
flat angles C4'-P-C4' energy: -37.038
flat angles P-C4'-P energy: -24.155
tors. eta vs tors. theta energy: -46.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -382.114366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.114366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.114366 (E_RNA)
where:
Base-Base interactions energy: -227.987
where: short stacking energy: -120.838
Base-Backbone interact. energy: -2.324
local terms energy: -151.803694
where:
bonds (distance) C4'-P energy: -37.616
bonds (distance) P-C4' energy: -42.760
flat angles C4'-P-C4' energy: -41.177
flat angles P-C4'-P energy: -18.421
tors. eta vs tors. theta energy: -11.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -964.532283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.532283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.532283 (E_RNA)
where:
Base-Base interactions energy: -668.715
where: short stacking energy: -264.995
Base-Backbone interact. energy: -2.091
local terms energy: -293.726382
where:
bonds (distance) C4'-P energy: -57.433
bonds (distance) P-C4' energy: -56.836
flat angles C4'-P-C4' energy: -62.523
flat angles P-C4'-P energy: -41.419
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: 2, replica: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -931.791574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.791574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.791574 (E_RNA)
where:
Base-Base interactions energy: -659.498
where: short stacking energy: -271.597
Base-Backbone interact. energy: 2.254
local terms energy: -274.547548
where:
bonds (distance) C4'-P energy: -42.467
bonds (distance) P-C4' energy: -53.207
flat angles C4'-P-C4' energy: -57.101
flat angles P-C4'-P energy: -47.496
tors. eta vs tors. theta energy: -74.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -895.836342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.836342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.836342 (E_RNA)
where:
Base-Base interactions energy: -626.524
where: short stacking energy: -266.407
Base-Backbone interact. energy: 2.046
local terms energy: -271.358218
where:
bonds (distance) C4'-P energy: -50.586
bonds (distance) P-C4' energy: -44.563
flat angles C4'-P-C4' energy: -56.169
flat angles P-C4'-P energy: -38.499
tors. eta vs tors. theta energy: -81.542
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: 4, replica: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -844.702358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.702358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.702358 (E_RNA)
where:
Base-Base interactions energy: -598.822
where: short stacking energy: -235.316
Base-Backbone interact. energy: 1.089
local terms energy: -246.969664
where:
bonds (distance) C4'-P energy: -47.636
bonds (distance) P-C4' energy: -46.558
flat angles C4'-P-C4' energy: -54.869
flat angles P-C4'-P energy: -34.427
tors. eta vs tors. theta energy: -63.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -806.068747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.068747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.068747 (E_RNA)
where:
Base-Base interactions energy: -549.506
where: short stacking energy: -221.090
Base-Backbone interact. energy: -1.485
local terms energy: -255.077716
where:
bonds (distance) C4'-P energy: -51.719
bonds (distance) P-C4' energy: -52.199
flat angles C4'-P-C4' energy: -58.244
flat angles P-C4'-P energy: -34.122
tors. eta vs tors. theta energy: -58.794
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: 6, replica: 2
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -752.575544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.575544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.575544 (E_RNA)
where:
Base-Base interactions energy: -518.973
where: short stacking energy: -218.499
Base-Backbone interact. energy: 0.239
local terms energy: -233.841403
where:
bonds (distance) C4'-P energy: -45.107
bonds (distance) P-C4' energy: -48.838
flat angles C4'-P-C4' energy: -53.974
flat angles P-C4'-P energy: -30.524
tors. eta vs tors. theta energy: -55.399
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: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -732.043750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.043750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.043750 (E_RNA)
where:
Base-Base interactions energy: -530.622
where: short stacking energy: -224.883
Base-Backbone interact. energy: -1.396
local terms energy: -200.025705
where:
bonds (distance) C4'-P energy: -32.374
bonds (distance) P-C4' energy: -36.349
flat angles C4'-P-C4' energy: -46.555
flat angles P-C4'-P energy: -30.582
tors. eta vs tors. theta energy: -54.165
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: 8
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -652.912878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.912878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.912878 (E_RNA)
where:
Base-Base interactions energy: -440.578
where: short stacking energy: -182.741
Base-Backbone interact. energy: -2.086
local terms energy: -210.248328
where:
bonds (distance) C4'-P energy: -49.755
bonds (distance) P-C4' energy: -42.482
flat angles C4'-P-C4' energy: -52.024
flat angles P-C4'-P energy: -29.016
tors. eta vs tors. theta energy: -36.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -638.093243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.093243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.093243 (E_RNA)
where:
Base-Base interactions energy: -430.935
where: short stacking energy: -179.403
Base-Backbone interact. energy: -0.967
local terms energy: -206.191463
where:
bonds (distance) C4'-P energy: -40.338
bonds (distance) P-C4' energy: -46.884
flat angles C4'-P-C4' energy: -44.213
flat angles P-C4'-P energy: -28.222
tors. eta vs tors. theta energy: -46.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -351.444774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.444774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.444774 (E_RNA)
where:
Base-Base interactions energy: -173.928
where: short stacking energy: -89.574
Base-Backbone interact. energy: 0.039
local terms energy: -177.556539
where:
bonds (distance) C4'-P energy: -43.081
bonds (distance) P-C4' energy: -52.700
flat angles C4'-P-C4' energy: -38.764
flat angles P-C4'-P energy: -24.575
tors. eta vs tors. theta energy: -18.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -972.980151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.980151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.980151 (E_RNA)
where:
Base-Base interactions energy: -683.646
where: short stacking energy: -280.320
Base-Backbone interact. energy: -0.840
local terms energy: -288.494605
where:
bonds (distance) C4'-P energy: -50.500
bonds (distance) P-C4' energy: -49.274
flat angles C4'-P-C4' energy: -63.791
flat angles P-C4'-P energy: -42.576
tors. eta vs tors. theta energy: -82.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -943.880912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.880912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.880912 (E_RNA)
where:
Base-Base interactions energy: -665.330
where: short stacking energy: -267.033
Base-Backbone interact. energy: -1.473
local terms energy: -277.077279
where:
bonds (distance) C4'-P energy: -49.477
bonds (distance) P-C4' energy: -42.107
flat angles C4'-P-C4' energy: -62.844
flat angles P-C4'-P energy: -45.989
tors. eta vs tors. theta energy: -76.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -902.257764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.257764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.257764 (E_RNA)
where:
Base-Base interactions energy: -627.200
where: short stacking energy: -256.753
Base-Backbone interact. energy: -0.131
local terms energy: -274.927095
where:
bonds (distance) C4'-P energy: -48.915
bonds (distance) P-C4' energy: -49.960
flat angles C4'-P-C4' energy: -56.150
flat angles P-C4'-P energy: -43.690
tors. eta vs tors. theta energy: -76.211
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: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -844.678411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.678411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.678411 (E_RNA)
where:
Base-Base interactions energy: -594.259
where: short stacking energy: -249.936
Base-Backbone interact. energy: -0.125
local terms energy: -250.294047
where:
bonds (distance) C4'-P energy: -46.489
bonds (distance) P-C4' energy: -45.552
flat angles C4'-P-C4' energy: -62.168
flat angles P-C4'-P energy: -30.497
tors. eta vs tors. theta energy: -65.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -834.575602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.575602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.575602 (E_RNA)
where:
Base-Base interactions energy: -600.112
where: short stacking energy: -243.683
Base-Backbone interact. energy: -2.583
local terms energy: -231.880101
where:
bonds (distance) C4'-P energy: -32.433
bonds (distance) P-C4' energy: -48.698
flat angles C4'-P-C4' energy: -55.313
flat angles P-C4'-P energy: -39.361
tors. eta vs tors. theta energy: -56.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -765.839673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.839673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.839673 (E_RNA)
where:
Base-Base interactions energy: -515.092
where: short stacking energy: -211.301
Base-Backbone interact. energy: -0.410
local terms energy: -250.337140
where:
bonds (distance) C4'-P energy: -50.715
bonds (distance) P-C4' energy: -44.325
flat angles C4'-P-C4' energy: -60.506
flat angles P-C4'-P energy: -35.029
tors. eta vs tors. theta energy: -59.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -747.374186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.374186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.374186 (E_RNA)
where:
Base-Base interactions energy: -515.385
where: short stacking energy: -206.918
Base-Backbone interact. energy: -1.039
local terms energy: -230.950195
where:
bonds (distance) C4'-P energy: -48.780
bonds (distance) P-C4' energy: -52.150
flat angles C4'-P-C4' energy: -48.821
flat angles P-C4'-P energy: -28.559
tors. eta vs tors. theta energy: -52.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -622.793176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.793176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.793176 (E_RNA)
where:
Base-Base interactions energy: -423.144
where: short stacking energy: -171.279
Base-Backbone interact. energy: -1.946
local terms energy: -197.702501
where:
bonds (distance) C4'-P energy: -36.323
bonds (distance) P-C4' energy: -56.798
flat angles C4'-P-C4' energy: -39.676
flat angles P-C4'-P energy: -32.796
tors. eta vs tors. theta energy: -32.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -646.551500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.551500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.551500 (E_RNA)
where:
Base-Base interactions energy: -436.033
where: short stacking energy: -182.559
Base-Backbone interact. energy: -0.552
local terms energy: -209.965696
where:
bonds (distance) C4'-P energy: -53.898
bonds (distance) P-C4' energy: -48.403
flat angles C4'-P-C4' energy: -40.741
flat angles P-C4'-P energy: -27.202
tors. eta vs tors. theta energy: -39.721
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: 3
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -368.234051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.234051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.234051 (E_RNA)
where:
Base-Base interactions energy: -202.211
where: short stacking energy: -103.537
Base-Backbone interact. energy: 0.702
local terms energy: -166.724378
where:
bonds (distance) C4'-P energy: -37.675
bonds (distance) P-C4' energy: -53.182
flat angles C4'-P-C4' energy: -37.559
flat angles P-C4'-P energy: -25.179
tors. eta vs tors. theta energy: -13.129
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: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -958.491998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.491998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.491998 (E_RNA)
where:
Base-Base interactions energy: -663.393
where: short stacking energy: -278.168
Base-Backbone interact. energy: -2.058
local terms energy: -293.040701
where:
bonds (distance) C4'-P energy: -52.025
bonds (distance) P-C4' energy: -49.651
flat angles C4'-P-C4' energy: -59.735
flat angles P-C4'-P energy: -52.855
tors. eta vs tors. theta energy: -78.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -943.753674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.753674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.753674 (E_RNA)
where:
Base-Base interactions energy: -662.803
where: short stacking energy: -281.616
Base-Backbone interact. energy: -1.796
local terms energy: -279.154261
where:
bonds (distance) C4'-P energy: -50.182
bonds (distance) P-C4' energy: -44.583
flat angles C4'-P-C4' energy: -58.232
flat angles P-C4'-P energy: -43.244
tors. eta vs tors. theta energy: -82.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -891.315730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.315730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.315730 (E_RNA)
where:
Base-Base interactions energy: -624.080
where: short stacking energy: -253.987
Base-Backbone interact. energy: -0.293
local terms energy: -266.942877
where:
bonds (distance) C4'-P energy: -59.118
bonds (distance) P-C4' energy: -46.526
flat angles C4'-P-C4' energy: -55.806
flat angles P-C4'-P energy: -35.557
tors. eta vs tors. theta energy: -69.936
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: 4, replica: 10
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -839.394388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.394388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.394388 (E_RNA)
where:
Base-Base interactions energy: -591.741
where: short stacking energy: -247.935
Base-Backbone interact. energy: 2.549
local terms energy: -250.202626
where:
bonds (distance) C4'-P energy: -49.181
bonds (distance) P-C4' energy: -48.628
flat angles C4'-P-C4' energy: -55.196
flat angles P-C4'-P energy: -37.183
tors. eta vs tors. theta energy: -60.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -846.085586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.085586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.085586 (E_RNA)
where:
Base-Base interactions energy: -584.666
where: short stacking energy: -234.391
Base-Backbone interact. energy: -1.262
local terms energy: -260.157405
where:
bonds (distance) C4'-P energy: -48.238
bonds (distance) P-C4' energy: -55.846
flat angles C4'-P-C4' energy: -48.904
flat angles P-C4'-P energy: -40.933
tors. eta vs tors. theta energy: -66.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -747.473160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.473160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.473160 (E_RNA)
where:
Base-Base interactions energy: -514.891
where: short stacking energy: -223.449
Base-Backbone interact. energy: -0.840
local terms energy: -231.741663
where:
bonds (distance) C4'-P energy: -51.642
bonds (distance) P-C4' energy: -50.965
flat angles C4'-P-C4' energy: -52.426
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: -60.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -737.986217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.986217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.986217 (E_RNA)
where:
Base-Base interactions energy: -521.796
where: short stacking energy: -203.724
Base-Backbone interact. energy: -1.494
local terms energy: -214.696653
where:
bonds (distance) C4'-P energy: -39.615
bonds (distance) P-C4' energy: -36.489
flat angles C4'-P-C4' energy: -50.390
flat angles P-C4'-P energy: -33.445
tors. eta vs tors. theta energy: -54.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -663.236617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.236617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.236617 (E_RNA)
where:
Base-Base interactions energy: -442.658
where: short stacking energy: -177.849
Base-Backbone interact. energy: -0.431
local terms energy: -220.147681
where:
bonds (distance) C4'-P energy: -47.495
bonds (distance) P-C4' energy: -50.366
flat angles C4'-P-C4' energy: -49.766
flat angles P-C4'-P energy: -35.528
tors. eta vs tors. theta energy: -36.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -581.408260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.408260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.408260 (E_RNA)
where:
Base-Base interactions energy: -372.087
where: short stacking energy: -165.984
Base-Backbone interact. energy: -2.077
local terms energy: -207.243900
where:
bonds (distance) C4'-P energy: -48.156
bonds (distance) P-C4' energy: -50.852
flat angles C4'-P-C4' energy: -41.793
flat angles P-C4'-P energy: -36.065
tors. eta vs tors. theta energy: -30.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -355.270893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.270893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.270893 (E_RNA)
where:
Base-Base interactions energy: -197.411
where: short stacking energy: -101.205
Base-Backbone interact. energy: -0.047
local terms energy: -157.813622
where:
bonds (distance) C4'-P energy: -48.620
bonds (distance) P-C4' energy: -43.539
flat angles C4'-P-C4' energy: -40.734
flat angles P-C4'-P energy: -14.997
tors. eta vs tors. theta energy: -9.924
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: 364
Temperature: 0.900000
Total energy: -977.408174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.408174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.408174 (E_RNA)
where:
Base-Base interactions energy: -680.110
where: short stacking energy: -268.103
Base-Backbone interact. energy: -1.903
local terms energy: -295.394929
where:
bonds (distance) C4'-P energy: -50.046
bonds (distance) P-C4' energy: -59.810
flat angles C4'-P-C4' energy: -62.892
flat angles P-C4'-P energy: -41.196
tors. eta vs tors. theta energy: -81.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -932.518669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.518669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.518669 (E_RNA)
where:
Base-Base interactions energy: -665.480
where: short stacking energy: -271.645
Base-Backbone interact. energy: -2.227
local terms energy: -264.811585
where:
bonds (distance) C4'-P energy: -43.505
bonds (distance) P-C4' energy: -51.435
flat angles C4'-P-C4' energy: -57.553
flat angles P-C4'-P energy: -36.400
tors. eta vs tors. theta energy: -75.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -925.880597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.880597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.880597 (E_RNA)
where:
Base-Base interactions energy: -637.930
where: short stacking energy: -262.349
Base-Backbone interact. energy: -0.867
local terms energy: -287.083208
where:
bonds (distance) C4'-P energy: -56.472
bonds (distance) P-C4' energy: -46.799
flat angles C4'-P-C4' energy: -61.752
flat angles P-C4'-P energy: -42.194
tors. eta vs tors. theta energy: -79.866
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: 10
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -827.120176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.120176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.120176 (E_RNA)
where:
Base-Base interactions energy: -575.865
where: short stacking energy: -247.664
Base-Backbone interact. energy: -1.896
local terms energy: -249.359517
where:
bonds (distance) C4'-P energy: -43.111
bonds (distance) P-C4' energy: -56.356
flat angles C4'-P-C4' energy: -56.116
flat angles P-C4'-P energy: -36.147
tors. eta vs tors. theta energy: -57.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -803.096202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.096202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.096202 (E_RNA)
where:
Base-Base interactions energy: -559.069
where: short stacking energy: -217.034
Base-Backbone interact. energy: -1.557
local terms energy: -242.470077
where:
bonds (distance) C4'-P energy: -53.368
bonds (distance) P-C4' energy: -47.615
flat angles C4'-P-C4' energy: -52.810
flat angles P-C4'-P energy: -26.880
tors. eta vs tors. theta energy: -61.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -729.430873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.430873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.430873 (E_RNA)
where:
Base-Base interactions energy: -501.173
where: short stacking energy: -212.301
Base-Backbone interact. energy: -0.910
local terms energy: -227.347561
where:
bonds (distance) C4'-P energy: -45.533
bonds (distance) P-C4' energy: -38.726
flat angles C4'-P-C4' energy: -51.690
flat angles P-C4'-P energy: -31.018
tors. eta vs tors. theta energy: -60.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -746.211179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.211179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.211179 (E_RNA)
where:
Base-Base interactions energy: -508.195
where: short stacking energy: -201.287
Base-Backbone interact. energy: -1.119
local terms energy: -236.897105
where:
bonds (distance) C4'-P energy: -53.499
bonds (distance) P-C4' energy: -46.027
flat angles C4'-P-C4' energy: -54.316
flat angles P-C4'-P energy: -28.626
tors. eta vs tors. theta energy: -54.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -651.999346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.999346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.999346 (E_RNA)
where:
Base-Base interactions energy: -441.265
where: short stacking energy: -178.275
Base-Backbone interact. energy: 2.775
local terms energy: -213.509544
where:
bonds (distance) C4'-P energy: -31.324
bonds (distance) P-C4' energy: -44.229
flat angles C4'-P-C4' energy: -57.993
flat angles P-C4'-P energy: -27.546
tors. eta vs tors. theta energy: -52.417
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: 8
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -551.189876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.189876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.189876 (E_RNA)
where:
Base-Base interactions energy: -352.595
where: short stacking energy: -160.559
Base-Backbone interact. energy: 4.043
local terms energy: -202.637166
where:
bonds (distance) C4'-P energy: -43.296
bonds (distance) P-C4' energy: -49.085
flat angles C4'-P-C4' energy: -51.341
flat angles P-C4'-P energy: -32.901
tors. eta vs tors. theta energy: -26.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -367.194810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.194810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.194810 (E_RNA)
where:
Base-Base interactions energy: -215.371
where: short stacking energy: -107.280
Base-Backbone interact. energy: -2.932
local terms energy: -148.890864
where:
bonds (distance) C4'-P energy: -37.075
bonds (distance) P-C4' energy: -40.675
flat angles C4'-P-C4' energy: -45.704
flat angles P-C4'-P energy: -19.099
tors. eta vs tors. theta energy: -6.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -974.891555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.891555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.891555 (E_RNA)
where:
Base-Base interactions energy: -682.188
where: short stacking energy: -300.458
Base-Backbone interact. energy: -1.288
local terms energy: -291.415672
where:
bonds (distance) C4'-P energy: -56.805
bonds (distance) P-C4' energy: -51.959
flat angles C4'-P-C4' energy: -62.344
flat angles P-C4'-P energy: -36.538
tors. eta vs tors. theta energy: -83.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -918.553958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.553958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.553958 (E_RNA)
where:
Base-Base interactions energy: -622.810
where: short stacking energy: -264.588
Base-Backbone interact. energy: -0.971
local terms energy: -294.772641
where:
bonds (distance) C4'-P energy: -58.611
bonds (distance) P-C4' energy: -58.132
flat angles C4'-P-C4' energy: -52.770
flat angles P-C4'-P energy: -44.834
tors. eta vs tors. theta energy: -80.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -907.510051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.510051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.510051 (E_RNA)
where:
Base-Base interactions energy: -623.351
where: short stacking energy: -257.026
Base-Backbone interact. energy: -2.328
local terms energy: -281.830697
where:
bonds (distance) C4'-P energy: -48.397
bonds (distance) P-C4' energy: -52.064
flat angles C4'-P-C4' energy: -64.357
flat angles P-C4'-P energy: -42.522
tors. eta vs tors. theta energy: -74.491
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: 9
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -855.533816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.533816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.533816 (E_RNA)
where:
Base-Base interactions energy: -592.663
where: short stacking energy: -245.744
Base-Backbone interact. energy: -1.783
local terms energy: -261.088381
where:
bonds (distance) C4'-P energy: -49.453
bonds (distance) P-C4' energy: -53.956
flat angles C4'-P-C4' energy: -53.846
flat angles P-C4'-P energy: -44.514
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: 5, replica: 10
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -779.582022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.582022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.582022 (E_RNA)
where:
Base-Base interactions energy: -549.680
where: short stacking energy: -217.051
Base-Backbone interact. energy: -1.566
local terms energy: -228.336763
where:
bonds (distance) C4'-P energy: -43.063
bonds (distance) P-C4' energy: -54.754
flat angles C4'-P-C4' energy: -46.831
flat angles P-C4'-P energy: -34.777
tors. eta vs tors. theta energy: -48.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -770.719662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.719662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.719662 (E_RNA)
where:
Base-Base interactions energy: -551.869
where: short stacking energy: -216.009
Base-Backbone interact. energy: -2.075
local terms energy: -216.775982
where:
bonds (distance) C4'-P energy: -48.734
bonds (distance) P-C4' energy: -43.396
flat angles C4'-P-C4' energy: -47.176
flat angles P-C4'-P energy: -25.600
tors. eta vs tors. theta energy: -51.869
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: 2
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -712.991201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.991201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.991201 (E_RNA)
where:
Base-Base interactions energy: -493.314
where: short stacking energy: -212.159
Base-Backbone interact. energy: -0.621
local terms energy: -219.056335
where:
bonds (distance) C4'-P energy: -38.421
bonds (distance) P-C4' energy: -39.499
flat angles C4'-P-C4' energy: -52.088
flat angles P-C4'-P energy: -32.714
tors. eta vs tors. theta energy: -56.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -658.588229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.588229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.588229 (E_RNA)
where:
Base-Base interactions energy: -438.854
where: short stacking energy: -185.426
Base-Backbone interact. energy: -2.493
local terms energy: -217.240942
where:
bonds (distance) C4'-P energy: -51.421
bonds (distance) P-C4' energy: -45.216
flat angles C4'-P-C4' energy: -54.630
flat angles P-C4'-P energy: -30.019
tors. eta vs tors. theta energy: -35.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -527.181342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.181342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.181342 (E_RNA)
where:
Base-Base interactions energy: -328.894
where: short stacking energy: -169.129
Base-Backbone interact. energy: -0.654
local terms energy: -197.633614
where:
bonds (distance) C4'-P energy: -48.359
bonds (distance) P-C4' energy: -40.899
flat angles C4'-P-C4' energy: -48.427
flat angles P-C4'-P energy: -27.728
tors. eta vs tors. theta energy: -32.220
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: 10, replica: 3
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -337.298841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.298841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.298841 (E_RNA)
where:
Base-Base interactions energy: -172.099
where: short stacking energy: -82.192
Base-Backbone interact. energy: -0.202
local terms energy: -164.998630
where:
bonds (distance) C4'-P energy: -36.879
bonds (distance) P-C4' energy: -52.651
flat angles C4'-P-C4' energy: -42.487
flat angles P-C4'-P energy: -35.032
tors. eta vs tors. theta energy: 2.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -976.060441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.060441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.060441 (E_RNA)
where:
Base-Base interactions energy: -690.466
where: short stacking energy: -282.398
Base-Backbone interact. energy: -2.092
local terms energy: -283.502729
where:
bonds (distance) C4'-P energy: -52.198
bonds (distance) P-C4' energy: -57.724
flat angles C4'-P-C4' energy: -56.881
flat angles P-C4'-P energy: -36.141
tors. eta vs tors. theta energy: -80.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -903.933533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.933533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.933533 (E_RNA)
where:
Base-Base interactions energy: -619.458
where: short stacking energy: -264.396
Base-Backbone interact. energy: -1.242
local terms energy: -283.232910
where:
bonds (distance) C4'-P energy: -49.793
bonds (distance) P-C4' energy: -58.014
flat angles C4'-P-C4' energy: -60.258
flat angles P-C4'-P energy: -38.655
tors. eta vs tors. theta energy: -76.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -929.252584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.252584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.252584 (E_RNA)
where:
Base-Base interactions energy: -658.078
where: short stacking energy: -252.000
Base-Backbone interact. energy: -1.491
local terms energy: -269.683133
where:
bonds (distance) C4'-P energy: -49.117
bonds (distance) P-C4' energy: -54.572
flat angles C4'-P-C4' energy: -59.380
flat angles P-C4'-P energy: -38.124
tors. eta vs tors. theta energy: -68.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -906.885489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.885489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.885489 (E_RNA)
where:
Base-Base interactions energy: -647.875
where: short stacking energy: -270.011
Base-Backbone interact. energy: -1.220
local terms energy: -257.790305
where:
bonds (distance) C4'-P energy: -52.404
bonds (distance) P-C4' energy: -47.962
flat angles C4'-P-C4' energy: -59.074
flat angles P-C4'-P energy: -19.755
tors. eta vs tors. theta energy: -78.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -784.862102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.862102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.862102 (E_RNA)
where:
Base-Base interactions energy: -555.848
where: short stacking energy: -230.981
Base-Backbone interact. energy: 1.493
local terms energy: -230.507653
where:
bonds (distance) C4'-P energy: -51.102
bonds (distance) P-C4' energy: -39.994
flat angles C4'-P-C4' energy: -53.066
flat angles P-C4'-P energy: -33.869
tors. eta vs tors. theta energy: -52.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -771.407942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.407942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.407942 (E_RNA)
where:
Base-Base interactions energy: -530.326
where: short stacking energy: -202.400
Base-Backbone interact. energy: -0.768
local terms energy: -240.313852
where:
bonds (distance) C4'-P energy: -48.962
bonds (distance) P-C4' energy: -60.913
flat angles C4'-P-C4' energy: -45.040
flat angles P-C4'-P energy: -23.676
tors. eta vs tors. theta energy: -61.723
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: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -710.447577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.447577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.447577 (E_RNA)
where:
Base-Base interactions energy: -493.466
where: short stacking energy: -213.088
Base-Backbone interact. energy: 3.990
local terms energy: -220.971543
where:
bonds (distance) C4'-P energy: -38.144
bonds (distance) P-C4' energy: -53.596
flat angles C4'-P-C4' energy: -56.191
flat angles P-C4'-P energy: -26.960
tors. eta vs tors. theta energy: -46.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -676.830827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.830827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.830827 (E_RNA)
where:
Base-Base interactions energy: -444.927
where: short stacking energy: -186.875
Base-Backbone interact. energy: -1.163
local terms energy: -230.740262
where:
bonds (distance) C4'-P energy: -43.150
bonds (distance) P-C4' energy: -45.325
flat angles C4'-P-C4' energy: -52.486
flat angles P-C4'-P energy: -37.415
tors. eta vs tors. theta energy: -52.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -522.049060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.049060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.049060 (E_RNA)
where:
Base-Base interactions energy: -340.488
where: short stacking energy: -155.498
Base-Backbone interact. energy: 0.122
local terms energy: -181.682603
where:
bonds (distance) C4'-P energy: -35.687
bonds (distance) P-C4' energy: -43.834
flat angles C4'-P-C4' energy: -38.493
flat angles P-C4'-P energy: -30.316
tors. eta vs tors. theta energy: -33.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -326.309167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.309167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.309167 (E_RNA)
where:
Base-Base interactions energy: -188.962
where: short stacking energy: -91.412
Base-Backbone interact. energy: -1.846
local terms energy: -135.501131
where:
bonds (distance) C4'-P energy: -31.861
bonds (distance) P-C4' energy: -43.245
flat angles C4'-P-C4' energy: -29.146
flat angles P-C4'-P energy: -28.037
tors. eta vs tors. theta energy: -3.212
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: 367
Temperature: 0.900000
Total energy: -970.518847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.518847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.518847 (E_RNA)
where:
Base-Base interactions energy: -672.020
where: short stacking energy: -285.632
Base-Backbone interact. energy: -1.820
local terms energy: -296.679013
where:
bonds (distance) C4'-P energy: -59.663
bonds (distance) P-C4' energy: -48.352
flat angles C4'-P-C4' energy: -60.423
flat angles P-C4'-P energy: -47.754
tors. eta vs tors. theta energy: -80.488
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: 2, replica: 9
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -966.703095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.703095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.703095 (E_RNA)
where:
Base-Base interactions energy: -681.692
where: short stacking energy: -265.513
Base-Backbone interact. energy: -3.215
local terms energy: -281.795907
where:
bonds (distance) C4'-P energy: -49.019
bonds (distance) P-C4' energy: -59.084
flat angles C4'-P-C4' energy: -57.151
flat angles P-C4'-P energy: -39.816
tors. eta vs tors. theta energy: -76.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -896.818814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.818814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.818814 (E_RNA)
where:
Base-Base interactions energy: -625.175
where: short stacking energy: -257.687
Base-Backbone interact. energy: 1.344
local terms energy: -272.988505
where:
bonds (distance) C4'-P energy: -41.031
bonds (distance) P-C4' energy: -55.041
flat angles C4'-P-C4' energy: -55.988
flat angles P-C4'-P energy: -49.290
tors. eta vs tors. theta energy: -71.638
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: 367
Temperature: 1.050000
Total energy: -895.988149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.988149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.988149 (E_RNA)
where:
Base-Base interactions energy: -623.758
where: short stacking energy: -264.407
Base-Backbone interact. energy: -0.293
local terms energy: -271.937522
where:
bonds (distance) C4'-P energy: -43.538
bonds (distance) P-C4' energy: -49.697
flat angles C4'-P-C4' energy: -57.383
flat angles P-C4'-P energy: -48.667
tors. eta vs tors. theta energy: -72.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -800.660311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.660311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.660311 (E_RNA)
where:
Base-Base interactions energy: -571.232
where: short stacking energy: -233.961
Base-Backbone interact. energy: 3.458
local terms energy: -232.886251
where:
bonds (distance) C4'-P energy: -46.727
bonds (distance) P-C4' energy: -45.147
flat angles C4'-P-C4' energy: -47.948
flat angles P-C4'-P energy: -35.294
tors. eta vs tors. theta energy: -57.769
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: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -711.540056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.540056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.540056 (E_RNA)
where:
Base-Base interactions energy: -475.375
where: short stacking energy: -203.004
Base-Backbone interact. energy: 2.317
local terms energy: -238.481680
where:
bonds (distance) C4'-P energy: -48.214
bonds (distance) P-C4' energy: -59.848
flat angles C4'-P-C4' energy: -51.386
flat angles P-C4'-P energy: -33.357
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: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -741.998122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.998122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.998122 (E_RNA)
where:
Base-Base interactions energy: -518.277
where: short stacking energy: -191.686
Base-Backbone interact. energy: 1.854
local terms energy: -225.575296
where:
bonds (distance) C4'-P energy: -43.875
bonds (distance) P-C4' energy: -48.175
flat angles C4'-P-C4' energy: -47.511
flat angles P-C4'-P energy: -28.254
tors. eta vs tors. theta energy: -57.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -683.708458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.708458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.708458 (E_RNA)
where:
Base-Base interactions energy: -477.678
where: short stacking energy: -212.637
Base-Backbone interact. energy: 2.994
local terms energy: -209.024144
where:
bonds (distance) C4'-P energy: -45.260
bonds (distance) P-C4' energy: -36.896
flat angles C4'-P-C4' energy: -41.832
flat angles P-C4'-P energy: -31.337
tors. eta vs tors. theta energy: -53.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -554.365223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.365223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.365223 (E_RNA)
where:
Base-Base interactions energy: -367.132
where: short stacking energy: -163.463
Base-Backbone interact. energy: -0.711
local terms energy: -186.522042
where:
bonds (distance) C4'-P energy: -54.271
bonds (distance) P-C4' energy: -49.924
flat angles C4'-P-C4' energy: -44.339
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -23.788
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: 3
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -364.138256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.138256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.138256 (E_RNA)
where:
Base-Base interactions energy: -200.136
where: short stacking energy: -112.970
Base-Backbone interact. energy: -0.998
local terms energy: -163.004034
where:
bonds (distance) C4'-P energy: -34.731
bonds (distance) P-C4' energy: -45.788
flat angles C4'-P-C4' energy: -47.006
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: -20.151
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: 9
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -971.898769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.898769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.898769 (E_RNA)
where:
Base-Base interactions energy: -680.485
where: short stacking energy: -278.758
Base-Backbone interact. energy: -1.648
local terms energy: -289.765174
where:
bonds (distance) C4'-P energy: -57.062
bonds (distance) P-C4' energy: -47.106
flat angles C4'-P-C4' energy: -59.051
flat angles P-C4'-P energy: -42.741
tors. eta vs tors. theta energy: -83.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -945.344233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.344233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.344233 (E_RNA)
where:
Base-Base interactions energy: -659.766
where: short stacking energy: -253.018
Base-Backbone interact. energy: -1.957
local terms energy: -283.621476
where:
bonds (distance) C4'-P energy: -51.581
bonds (distance) P-C4' energy: -51.148
flat angles C4'-P-C4' energy: -61.803
flat angles P-C4'-P energy: -45.239
tors. eta vs tors. theta energy: -73.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -892.662922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.662922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.662922 (E_RNA)
where:
Base-Base interactions energy: -624.275
where: short stacking energy: -263.805
Base-Backbone interact. energy: -1.599
local terms energy: -266.788986
where:
bonds (distance) C4'-P energy: -53.193
bonds (distance) P-C4' energy: -53.430
flat angles C4'-P-C4' energy: -51.181
flat angles P-C4'-P energy: -41.163
tors. eta vs tors. theta energy: -67.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -891.446019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.446019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.446019 (E_RNA)
where:
Base-Base interactions energy: -629.571
where: short stacking energy: -249.956
Base-Backbone interact. energy: 0.045
local terms energy: -261.920270
where:
bonds (distance) C4'-P energy: -55.620
bonds (distance) P-C4' energy: -50.791
flat angles C4'-P-C4' energy: -49.876
flat angles P-C4'-P energy: -32.633
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: 5, replica: 7
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -786.592785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.592785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.592785 (E_RNA)
where:
Base-Base interactions energy: -541.305
where: short stacking energy: -227.325
Base-Backbone interact. energy: 0.525
local terms energy: -245.812181
where:
bonds (distance) C4'-P energy: -53.598
bonds (distance) P-C4' energy: -49.126
flat angles C4'-P-C4' energy: -45.263
flat angles P-C4'-P energy: -36.518
tors. eta vs tors. theta energy: -61.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -788.143604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.143604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.143604 (E_RNA)
where:
Base-Base interactions energy: -552.136
where: short stacking energy: -235.679
Base-Backbone interact. energy: -1.779
local terms energy: -234.228631
where:
bonds (distance) C4'-P energy: -41.914
bonds (distance) P-C4' energy: -48.237
flat angles C4'-P-C4' energy: -42.622
flat angles P-C4'-P energy: -38.882
tors. eta vs tors. theta energy: -62.574
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: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -762.552364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.552364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.552364 (E_RNA)
where:
Base-Base interactions energy: -542.595
where: short stacking energy: -206.006
Base-Backbone interact. energy: -0.090
local terms energy: -219.867334
where:
bonds (distance) C4'-P energy: -36.576
bonds (distance) P-C4' energy: -43.118
flat angles C4'-P-C4' energy: -49.526
flat angles P-C4'-P energy: -36.639
tors. eta vs tors. theta energy: -54.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -695.253224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.253224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.253224 (E_RNA)
where:
Base-Base interactions energy: -469.438
where: short stacking energy: -195.791
Base-Backbone interact. energy: -1.391
local terms energy: -224.424128
where:
bonds (distance) C4'-P energy: -47.371
bonds (distance) P-C4' energy: -46.637
flat angles C4'-P-C4' energy: -54.397
flat angles P-C4'-P energy: -28.653
tors. eta vs tors. theta energy: -47.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -594.841412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.841412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.841412 (E_RNA)
where:
Base-Base interactions energy: -400.334
where: short stacking energy: -179.189
Base-Backbone interact. energy: -1.915
local terms energy: -192.593043
where:
bonds (distance) C4'-P energy: -36.775
bonds (distance) P-C4' energy: -39.039
flat angles C4'-P-C4' energy: -47.183
flat angles P-C4'-P energy: -31.578
tors. eta vs tors. theta energy: -38.018
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: 10, replica: 3
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -355.847902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.847902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.847902 (E_RNA)
where:
Base-Base interactions energy: -218.600
where: short stacking energy: -99.393
Base-Backbone interact. energy: 4.660
local terms energy: -141.907933
where:
bonds (distance) C4'-P energy: -43.351
bonds (distance) P-C4' energy: -45.618
flat angles C4'-P-C4' energy: -23.753
flat angles P-C4'-P energy: -22.907
tors. eta vs tors. theta energy: -6.279
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: 9
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -979.075321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.075321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.075321 (E_RNA)
where:
Base-Base interactions energy: -682.330
where: short stacking energy: -281.480
Base-Backbone interact. energy: -1.340
local terms energy: -295.405903
where:
bonds (distance) C4'-P energy: -53.481
bonds (distance) P-C4' energy: -52.208
flat angles C4'-P-C4' energy: -63.443
flat angles P-C4'-P energy: -44.045
tors. eta vs tors. theta energy: -82.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -953.842291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.842291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.842291 (E_RNA)
where:
Base-Base interactions energy: -661.978
where: short stacking energy: -286.833
Base-Backbone interact. energy: -1.399
local terms energy: -290.465589
where:
bonds (distance) C4'-P energy: -48.549
bonds (distance) P-C4' energy: -45.954
flat angles C4'-P-C4' energy: -65.286
flat angles P-C4'-P energy: -47.740
tors. eta vs tors. theta energy: -82.936
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: 3, replica: 5
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -894.895617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.895617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.895617 (E_RNA)
where:
Base-Base interactions energy: -618.259
where: short stacking energy: -260.285
Base-Backbone interact. energy: -2.384
local terms energy: -274.253550
where:
bonds (distance) C4'-P energy: -55.349
bonds (distance) P-C4' energy: -53.025
flat angles C4'-P-C4' energy: -54.742
flat angles P-C4'-P energy: -35.122
tors. eta vs tors. theta energy: -76.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -857.116788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.116788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.116788 (E_RNA)
where:
Base-Base interactions energy: -605.470
where: short stacking energy: -252.977
Base-Backbone interact. energy: 1.464
local terms energy: -253.110532
where:
bonds (distance) C4'-P energy: -38.763
bonds (distance) P-C4' energy: -54.098
flat angles C4'-P-C4' energy: -57.962
flat angles P-C4'-P energy: -37.276
tors. eta vs tors. theta energy: -65.012
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: 7
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -752.592087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.592087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.592087 (E_RNA)
where:
Base-Base interactions energy: -519.653
where: short stacking energy: -215.238
Base-Backbone interact. energy: -1.769
local terms energy: -231.170301
where:
bonds (distance) C4'-P energy: -51.620
bonds (distance) P-C4' energy: -48.747
flat angles C4'-P-C4' energy: -47.158
flat angles P-C4'-P energy: -35.487
tors. eta vs tors. theta energy: -48.159
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: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -757.958839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.958839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.958839 (E_RNA)
where:
Base-Base interactions energy: -533.477
where: short stacking energy: -209.204
Base-Backbone interact. energy: -1.799
local terms energy: -222.683264
where:
bonds (distance) C4'-P energy: -49.056
bonds (distance) P-C4' energy: -45.197
flat angles C4'-P-C4' energy: -56.590
flat angles P-C4'-P energy: -28.154
tors. eta vs tors. theta energy: -43.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -770.787778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.787778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.787778 (E_RNA)
where:
Base-Base interactions energy: -539.498
where: short stacking energy: -229.578
Base-Backbone interact. energy: -0.990
local terms energy: -230.299404
where:
bonds (distance) C4'-P energy: -35.581
bonds (distance) P-C4' energy: -44.610
flat angles C4'-P-C4' energy: -55.277
flat angles P-C4'-P energy: -33.209
tors. eta vs tors. theta energy: -61.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -711.605475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.605475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.605475 (E_RNA)
where:
Base-Base interactions energy: -484.404
where: short stacking energy: -207.472
Base-Backbone interact. energy: -1.783
local terms energy: -225.418147
where:
bonds (distance) C4'-P energy: -44.616
bonds (distance) P-C4' energy: -37.070
flat angles C4'-P-C4' energy: -56.259
flat angles P-C4'-P energy: -35.524
tors. eta vs tors. theta energy: -51.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -561.345871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.345871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.345871 (E_RNA)
where:
Base-Base interactions energy: -372.299
where: short stacking energy: -157.900
Base-Backbone interact. energy: -1.296
local terms energy: -187.750821
where:
bonds (distance) C4'-P energy: -49.981
bonds (distance) P-C4' energy: -45.863
flat angles C4'-P-C4' energy: -49.961
flat angles P-C4'-P energy: -19.262
tors. eta vs tors. theta energy: -22.683
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: 3
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -323.360634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.360634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.360634 (E_RNA)
where:
Base-Base interactions energy: -174.752
where: short stacking energy: -92.020
Base-Backbone interact. energy: 0.749
local terms energy: -149.357733
where:
bonds (distance) C4'-P energy: -41.940
bonds (distance) P-C4' energy: -51.087
flat angles C4'-P-C4' energy: -45.631
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: 2.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -981.921749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.921749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.921749 (E_RNA)
where:
Base-Base interactions energy: -686.977
where: short stacking energy: -280.816
Base-Backbone interact. energy: -1.675
local terms energy: -293.269719
where:
bonds (distance) C4'-P energy: -49.580
bonds (distance) P-C4' energy: -50.660
flat angles C4'-P-C4' energy: -64.959
flat angles P-C4'-P energy: -41.796
tors. eta vs tors. theta energy: -86.275
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: 2, replica: 1
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -944.197178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.197178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.197178 (E_RNA)
where:
Base-Base interactions energy: -664.648
where: short stacking energy: -270.647
Base-Backbone interact. energy: -0.797
local terms energy: -278.751963
where:
bonds (distance) C4'-P energy: -46.919
bonds (distance) P-C4' energy: -54.966
flat angles C4'-P-C4' energy: -56.283
flat angles P-C4'-P energy: -41.608
tors. eta vs tors. theta energy: -78.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -893.935257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.935257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.935257 (E_RNA)
where:
Base-Base interactions energy: -631.089
where: short stacking energy: -258.308
Base-Backbone interact. energy: -0.075
local terms energy: -262.771108
where:
bonds (distance) C4'-P energy: -38.028
bonds (distance) P-C4' energy: -54.625
flat angles C4'-P-C4' energy: -50.492
flat angles P-C4'-P energy: -48.264
tors. eta vs tors. theta energy: -71.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -860.807477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.807477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.807477 (E_RNA)
where:
Base-Base interactions energy: -591.900
where: short stacking energy: -248.189
Base-Backbone interact. energy: -1.154
local terms energy: -267.754177
where:
bonds (distance) C4'-P energy: -49.792
bonds (distance) P-C4' energy: -53.497
flat angles C4'-P-C4' energy: -50.654
flat angles P-C4'-P energy: -37.658
tors. eta vs tors. theta energy: -76.153
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: 5, replica: 7
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -788.473191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.473191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.473191 (E_RNA)
where:
Base-Base interactions energy: -533.247
where: short stacking energy: -228.759
Base-Backbone interact. energy: -0.904
local terms energy: -254.322257
where:
bonds (distance) C4'-P energy: -52.174
bonds (distance) P-C4' energy: -56.764
flat angles C4'-P-C4' energy: -45.437
flat angles P-C4'-P energy: -35.771
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: 6, replica: 6
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -763.930281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.930281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.930281 (E_RNA)
where:
Base-Base interactions energy: -536.305
where: short stacking energy: -208.807
Base-Backbone interact. energy: -1.855
local terms energy: -225.769867
where:
bonds (distance) C4'-P energy: -45.418
bonds (distance) P-C4' energy: -45.564
flat angles C4'-P-C4' energy: -45.846
flat angles P-C4'-P energy: -31.359
tors. eta vs tors. theta energy: -57.582
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: 2
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -679.463252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.463252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.463252 (E_RNA)
where:
Base-Base interactions energy: -456.689
where: short stacking energy: -202.859
Base-Backbone interact. energy: -0.808
local terms energy: -221.966583
where:
bonds (distance) C4'-P energy: -46.115
bonds (distance) P-C4' energy: -49.951
flat angles C4'-P-C4' energy: -50.300
flat angles P-C4'-P energy: -26.521
tors. eta vs tors. theta energy: -49.079
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: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -701.655673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.655673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.655673 (E_RNA)
where:
Base-Base interactions energy: -490.091
where: short stacking energy: -204.973
Base-Backbone interact. energy: -0.088
local terms energy: -211.476396
where:
bonds (distance) C4'-P energy: -40.543
bonds (distance) P-C4' energy: -44.239
flat angles C4'-P-C4' energy: -49.834
flat angles P-C4'-P energy: -25.434
tors. eta vs tors. theta energy: -51.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -587.764041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.764041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.764041 (E_RNA)
where:
Base-Base interactions energy: -380.416
where: short stacking energy: -167.472
Base-Backbone interact. energy: 0.513
local terms energy: -207.861138
where:
bonds (distance) C4'-P energy: -35.020
bonds (distance) P-C4' energy: -55.607
flat angles C4'-P-C4' energy: -52.584
flat angles P-C4'-P energy: -34.815
tors. eta vs tors. theta energy: -29.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -330.943868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.943868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.943868 (E_RNA)
where:
Base-Base interactions energy: -183.311
where: short stacking energy: -88.616
Base-Backbone interact. energy: 1.116
local terms energy: -148.748614
where:
bonds (distance) C4'-P energy: -40.701
bonds (distance) P-C4' energy: -56.581
flat angles C4'-P-C4' energy: -30.777
flat angles P-C4'-P energy: -20.586
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: 9
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -965.641125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.641125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.641125 (E_RNA)
where:
Base-Base interactions energy: -683.410
where: short stacking energy: -259.148
Base-Backbone interact. energy: -2.033
local terms energy: -280.198214
where:
bonds (distance) C4'-P energy: -56.323
bonds (distance) P-C4' energy: -43.877
flat angles C4'-P-C4' energy: -56.754
flat angles P-C4'-P energy: -47.780
tors. eta vs tors. theta energy: -75.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -949.496235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.496235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.496235 (E_RNA)
where:
Base-Base interactions energy: -672.975
where: short stacking energy: -280.304
Base-Backbone interact. energy: -2.100
local terms energy: -274.421722
where:
bonds (distance) C4'-P energy: -51.411
bonds (distance) P-C4' energy: -49.071
flat angles C4'-P-C4' energy: -61.952
flat angles P-C4'-P energy: -41.593
tors. eta vs tors. theta energy: -70.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -904.906469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.906469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.906469 (E_RNA)
where:
Base-Base interactions energy: -639.489
where: short stacking energy: -253.350
Base-Backbone interact. energy: -1.180
local terms energy: -264.237261
where:
bonds (distance) C4'-P energy: -47.731
bonds (distance) P-C4' energy: -47.538
flat angles C4'-P-C4' energy: -63.099
flat angles P-C4'-P energy: -31.976
tors. eta vs tors. theta energy: -73.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -878.626335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.626335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.626335 (E_RNA)
where:
Base-Base interactions energy: -609.342
where: short stacking energy: -239.427
Base-Backbone interact. energy: -1.217
local terms energy: -268.067030
where:
bonds (distance) C4'-P energy: -44.183
bonds (distance) P-C4' energy: -63.255
flat angles C4'-P-C4' energy: -54.160
flat angles P-C4'-P energy: -40.980
tors. eta vs tors. theta energy: -65.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -809.997885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.997885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.997885 (E_RNA)
where:
Base-Base interactions energy: -545.117
where: short stacking energy: -222.778
Base-Backbone interact. energy: 1.019
local terms energy: -265.899810
where:
bonds (distance) C4'-P energy: -50.141
bonds (distance) P-C4' energy: -52.482
flat angles C4'-P-C4' energy: -61.164
flat angles P-C4'-P energy: -32.742
tors. eta vs tors. theta energy: -69.371
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: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -770.795571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.795571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.795571 (E_RNA)
where:
Base-Base interactions energy: -555.202
where: short stacking energy: -213.862
Base-Backbone interact. energy: -2.109
local terms energy: -213.484704
where:
bonds (distance) C4'-P energy: -42.250
bonds (distance) P-C4' energy: -36.667
flat angles C4'-P-C4' energy: -45.244
flat angles P-C4'-P energy: -38.442
tors. eta vs tors. theta energy: -50.881
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: 2
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -683.495921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.495921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.495921 (E_RNA)
where:
Base-Base interactions energy: -463.823
where: short stacking energy: -197.268
Base-Backbone interact. energy: 1.026
local terms energy: -220.699303
where:
bonds (distance) C4'-P energy: -39.343
bonds (distance) P-C4' energy: -56.713
flat angles C4'-P-C4' energy: -52.176
flat angles P-C4'-P energy: -29.196
tors. eta vs tors. theta energy: -43.270
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: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -683.966580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.966580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.966580 (E_RNA)
where:
Base-Base interactions energy: -449.547
where: short stacking energy: -182.912
Base-Backbone interact. energy: 0.007
local terms energy: -234.426483
where:
bonds (distance) C4'-P energy: -51.326
bonds (distance) P-C4' energy: -49.670
flat angles C4'-P-C4' energy: -50.556
flat angles P-C4'-P energy: -36.880
tors. eta vs tors. theta energy: -45.995
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: 9, replica: 8
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -610.132292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.132292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.132292 (E_RNA)
where:
Base-Base interactions energy: -397.878
where: short stacking energy: -169.547
Base-Backbone interact. energy: -0.890
local terms energy: -211.363930
where:
bonds (distance) C4'-P energy: -46.563
bonds (distance) P-C4' energy: -51.912
flat angles C4'-P-C4' energy: -44.362
flat angles P-C4'-P energy: -27.379
tors. eta vs tors. theta energy: -41.148
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: 3
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -373.016795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.016795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.016795 (E_RNA)
where:
Base-Base interactions energy: -197.895
where: short stacking energy: -107.234
Base-Backbone interact. energy: -2.782
local terms energy: -172.339486
where:
bonds (distance) C4'-P energy: -42.817
bonds (distance) P-C4' energy: -40.425
flat angles C4'-P-C4' energy: -46.232
flat angles P-C4'-P energy: -30.408
tors. eta vs tors. theta energy: -12.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -961.926599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.926599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.926599 (E_RNA)
where:
Base-Base interactions energy: -671.131
where: short stacking energy: -261.878
Base-Backbone interact. energy: -0.042
local terms energy: -290.753809
where:
bonds (distance) C4'-P energy: -55.703
bonds (distance) P-C4' energy: -57.665
flat angles C4'-P-C4' energy: -63.370
flat angles P-C4'-P energy: -42.136
tors. eta vs tors. theta energy: -71.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -948.005340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.005340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.005340 (E_RNA)
where:
Base-Base interactions energy: -676.878
where: short stacking energy: -269.451
Base-Backbone interact. energy: -0.515
local terms energy: -270.612402
where:
bonds (distance) C4'-P energy: -48.795
bonds (distance) P-C4' energy: -47.897
flat angles C4'-P-C4' energy: -61.073
flat angles P-C4'-P energy: -38.919
tors. eta vs tors. theta energy: -73.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -911.853707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.853707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.853707 (E_RNA)
where:
Base-Base interactions energy: -650.041
where: short stacking energy: -249.376
Base-Backbone interact. energy: -3.711
local terms energy: -258.101956
where:
bonds (distance) C4'-P energy: -46.806
bonds (distance) P-C4' energy: -48.015
flat angles C4'-P-C4' energy: -62.054
flat angles P-C4'-P energy: -30.834
tors. eta vs tors. theta energy: -70.392
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: 372
Temperature: 1.050000
Total energy: -872.647691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.647691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.647691 (E_RNA)
where:
Base-Base interactions energy: -625.798
where: short stacking energy: -248.541
Base-Backbone interact. energy: -1.040
local terms energy: -245.810297
where:
bonds (distance) C4'-P energy: -50.280
bonds (distance) P-C4' energy: -45.819
flat angles C4'-P-C4' energy: -60.838
flat angles P-C4'-P energy: -28.328
tors. eta vs tors. theta energy: -60.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -740.303534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.303534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.303534 (E_RNA)
where:
Base-Base interactions energy: -503.919
where: short stacking energy: -221.653
Base-Backbone interact. energy: -1.183
local terms energy: -235.201678
where:
bonds (distance) C4'-P energy: -48.740
bonds (distance) P-C4' energy: -49.319
flat angles C4'-P-C4' energy: -52.860
flat angles P-C4'-P energy: -28.654
tors. eta vs tors. theta energy: -55.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -806.594045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.594045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.594045 (E_RNA)
where:
Base-Base interactions energy: -546.153
where: short stacking energy: -238.103
Base-Backbone interact. energy: -0.924
local terms energy: -259.516587
where:
bonds (distance) C4'-P energy: -55.597
bonds (distance) P-C4' energy: -53.710
flat angles C4'-P-C4' energy: -46.274
flat angles P-C4'-P energy: -37.759
tors. eta vs tors. theta energy: -66.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -691.487575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.487575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.487575 (E_RNA)
where:
Base-Base interactions energy: -476.314
where: short stacking energy: -185.451
Base-Backbone interact. energy: -1.418
local terms energy: -213.755586
where:
bonds (distance) C4'-P energy: -41.172
bonds (distance) P-C4' energy: -49.883
flat angles C4'-P-C4' energy: -50.874
flat angles P-C4'-P energy: -35.024
tors. eta vs tors. theta energy: -36.802
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: 2
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -635.261774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.261774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.261774 (E_RNA)
where:
Base-Base interactions energy: -443.433
where: short stacking energy: -161.060
Base-Backbone interact. energy: -0.762
local terms energy: -191.066882
where:
bonds (distance) C4'-P energy: -35.803
bonds (distance) P-C4' energy: -51.333
flat angles C4'-P-C4' energy: -37.163
flat angles P-C4'-P energy: -29.954
tors. eta vs tors. theta energy: -36.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -608.709405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.709405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.709405 (E_RNA)
where:
Base-Base interactions energy: -410.291
where: short stacking energy: -180.842
Base-Backbone interact. energy: -1.006
local terms energy: -197.412396
where:
bonds (distance) C4'-P energy: -46.683
bonds (distance) P-C4' energy: -45.542
flat angles C4'-P-C4' energy: -46.847
flat angles P-C4'-P energy: -24.822
tors. eta vs tors. theta energy: -33.519
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: 10, replica: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -423.976567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.976567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.976567 (E_RNA)
where:
Base-Base interactions energy: -243.385
where: short stacking energy: -121.682
Base-Backbone interact. energy: -0.437
local terms energy: -180.154180
where:
bonds (distance) C4'-P energy: -40.528
bonds (distance) P-C4' energy: -43.542
flat angles C4'-P-C4' energy: -34.788
flat angles P-C4'-P energy: -31.524
tors. eta vs tors. theta energy: -29.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -952.353861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.353861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.353861 (E_RNA)
where:
Base-Base interactions energy: -684.170
where: short stacking energy: -265.982
Base-Backbone interact. energy: -2.990
local terms energy: -265.193336
where:
bonds (distance) C4'-P energy: -53.323
bonds (distance) P-C4' energy: -39.462
flat angles C4'-P-C4' energy: -55.983
flat angles P-C4'-P energy: -47.287
tors. eta vs tors. theta energy: -69.138
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: 373
Temperature: 0.950000
Total energy: -963.409041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.409041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.409041 (E_RNA)
where:
Base-Base interactions energy: -668.157
where: short stacking energy: -273.776
Base-Backbone interact. energy: -1.738
local terms energy: -293.513923
where:
bonds (distance) C4'-P energy: -52.660
bonds (distance) P-C4' energy: -51.182
flat angles C4'-P-C4' energy: -64.880
flat angles P-C4'-P energy: -48.698
tors. eta vs tors. theta energy: -76.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -919.551487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.551487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.551487 (E_RNA)
where:
Base-Base interactions energy: -668.609
where: short stacking energy: -266.271
Base-Backbone interact. energy: -0.493
local terms energy: -250.448970
where:
bonds (distance) C4'-P energy: -45.072
bonds (distance) P-C4' energy: -42.790
flat angles C4'-P-C4' energy: -51.402
flat angles P-C4'-P energy: -38.828
tors. eta vs tors. theta energy: -72.356
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: 4
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -872.542392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.542392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.542392 (E_RNA)
where:
Base-Base interactions energy: -618.594
where: short stacking energy: -254.849
Base-Backbone interact. energy: -0.153
local terms energy: -253.795298
where:
bonds (distance) C4'-P energy: -48.163
bonds (distance) P-C4' energy: -42.671
flat angles C4'-P-C4' energy: -61.320
flat angles P-C4'-P energy: -41.549
tors. eta vs tors. theta energy: -60.092
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: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -762.645324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.645324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.645324 (E_RNA)
where:
Base-Base interactions energy: -532.687
where: short stacking energy: -218.934
Base-Backbone interact. energy: -2.987
local terms energy: -226.971656
where:
bonds (distance) C4'-P energy: -38.523
bonds (distance) P-C4' energy: -52.434
flat angles C4'-P-C4' energy: -50.137
flat angles P-C4'-P energy: -33.514
tors. eta vs tors. theta energy: -52.364
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: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -777.670366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.670366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.670366 (E_RNA)
where:
Base-Base interactions energy: -540.295
where: short stacking energy: -230.396
Base-Backbone interact. energy: -0.534
local terms energy: -236.841569
where:
bonds (distance) C4'-P energy: -44.141
bonds (distance) P-C4' energy: -45.384
flat angles C4'-P-C4' energy: -47.694
flat angles P-C4'-P energy: -31.470
tors. eta vs tors. theta energy: -68.153
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: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -689.618782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.618782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.618782 (E_RNA)
where:
Base-Base interactions energy: -459.112
where: short stacking energy: -188.457
Base-Backbone interact. energy: -0.506
local terms energy: -230.000556
where:
bonds (distance) C4'-P energy: -51.401
bonds (distance) P-C4' energy: -45.377
flat angles C4'-P-C4' energy: -51.289
flat angles P-C4'-P energy: -34.763
tors. eta vs tors. theta energy: -47.170
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: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -638.249515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.249515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.249515 (E_RNA)
where:
Base-Base interactions energy: -423.701
where: short stacking energy: -187.878
Base-Backbone interact. energy: 0.414
local terms energy: -214.963104
where:
bonds (distance) C4'-P energy: -57.232
bonds (distance) P-C4' energy: -39.635
flat angles C4'-P-C4' energy: -46.761
flat angles P-C4'-P energy: -29.705
tors. eta vs tors. theta energy: -41.630
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: 2
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -619.036491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.036491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.036491 (E_RNA)
where:
Base-Base interactions energy: -416.530
where: short stacking energy: -184.398
Base-Backbone interact. energy: -0.443
local terms energy: -202.063650
where:
bonds (distance) C4'-P energy: -27.254
bonds (distance) P-C4' energy: -61.804
flat angles C4'-P-C4' energy: -41.108
flat angles P-C4'-P energy: -32.235
tors. eta vs tors. theta energy: -39.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -457.461352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.461352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.461352 (E_RNA)
where:
Base-Base interactions energy: -279.968
where: short stacking energy: -123.532
Base-Backbone interact. energy: 0.948
local terms energy: -178.440877
where:
bonds (distance) C4'-P energy: -45.473
bonds (distance) P-C4' energy: -53.115
flat angles C4'-P-C4' energy: -42.747
flat angles P-C4'-P energy: -29.467
tors. eta vs tors. theta energy: -7.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -962.561798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.561798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.561798 (E_RNA)
where:
Base-Base interactions energy: -681.990
where: short stacking energy: -264.692
Base-Backbone interact. energy: -1.005
local terms energy: -279.566235
where:
bonds (distance) C4'-P energy: -52.505
bonds (distance) P-C4' energy: -53.121
flat angles C4'-P-C4' energy: -59.222
flat angles P-C4'-P energy: -41.312
tors. eta vs tors. theta energy: -73.405
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: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -955.784657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.784657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.784657 (E_RNA)
where:
Base-Base interactions energy: -675.932
where: short stacking energy: -273.944
Base-Backbone interact. energy: -1.287
local terms energy: -278.565709
where:
bonds (distance) C4'-P energy: -46.053
bonds (distance) P-C4' energy: -55.316
flat angles C4'-P-C4' energy: -57.561
flat angles P-C4'-P energy: -40.707
tors. eta vs tors. theta energy: -78.929
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: 374
Temperature: 1.000000
Total energy: -953.645905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.645905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.645905 (E_RNA)
where:
Base-Base interactions energy: -682.997
where: short stacking energy: -269.153
Base-Backbone interact. energy: -0.662
local terms energy: -269.987164
where:
bonds (distance) C4'-P energy: -54.770
bonds (distance) P-C4' energy: -48.413
flat angles C4'-P-C4' energy: -48.391
flat angles P-C4'-P energy: -42.235
tors. eta vs tors. theta energy: -76.178
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: 4
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -873.095002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.095002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.095002 (E_RNA)
where:
Base-Base interactions energy: -630.480
where: short stacking energy: -254.957
Base-Backbone interact. energy: 0.376
local terms energy: -242.990823
where:
bonds (distance) C4'-P energy: -48.216
bonds (distance) P-C4' energy: -37.656
flat angles C4'-P-C4' energy: -47.071
flat angles P-C4'-P energy: -40.237
tors. eta vs tors. theta energy: -69.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -812.090432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.090432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.090432 (E_RNA)
where:
Base-Base interactions energy: -574.787
where: short stacking energy: -211.537
Base-Backbone interact. energy: -2.168
local terms energy: -235.134916
where:
bonds (distance) C4'-P energy: -51.681
bonds (distance) P-C4' energy: -41.939
flat angles C4'-P-C4' energy: -50.062
flat angles P-C4'-P energy: -32.442
tors. eta vs tors. theta energy: -59.011
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: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -735.284028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.284028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.284028 (E_RNA)
where:
Base-Base interactions energy: -505.841
where: short stacking energy: -212.383
Base-Backbone interact. energy: -1.456
local terms energy: -227.986675
where:
bonds (distance) C4'-P energy: -40.752
bonds (distance) P-C4' energy: -53.257
flat angles C4'-P-C4' energy: -40.187
flat angles P-C4'-P energy: -38.756
tors. eta vs tors. theta energy: -55.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -715.110692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.110692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.110692 (E_RNA)
where:
Base-Base interactions energy: -491.220
where: short stacking energy: -194.018
Base-Backbone interact. energy: 0.521
local terms energy: -224.411579
where:
bonds (distance) C4'-P energy: -46.353
bonds (distance) P-C4' energy: -47.275
flat angles C4'-P-C4' energy: -57.978
flat angles P-C4'-P energy: -31.269
tors. eta vs tors. theta energy: -41.536
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: 374
Temperature: 1.250000
Total energy: -688.725644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.725644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.725644 (E_RNA)
where:
Base-Base interactions energy: -469.682
where: short stacking energy: -201.388
Base-Backbone interact. energy: -0.182
local terms energy: -218.862218
where:
bonds (distance) C4'-P energy: -37.470
bonds (distance) P-C4' energy: -43.106
flat angles C4'-P-C4' energy: -51.862
flat angles P-C4'-P energy: -34.936
tors. eta vs tors. theta energy: -51.487
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: 2
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -647.716363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.716363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.716363 (E_RNA)
where:
Base-Base interactions energy: -438.319
where: short stacking energy: -195.721
Base-Backbone interact. energy: 1.402
local terms energy: -210.799421
where:
bonds (distance) C4'-P energy: -37.319
bonds (distance) P-C4' energy: -47.562
flat angles C4'-P-C4' energy: -56.265
flat angles P-C4'-P energy: -26.407
tors. eta vs tors. theta energy: -43.247
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: 3
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -458.305439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.305439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.305439 (E_RNA)
where:
Base-Base interactions energy: -271.036
where: short stacking energy: -124.331
Base-Backbone interact. energy: -0.282
local terms energy: -186.987459
where:
bonds (distance) C4'-P energy: -38.730
bonds (distance) P-C4' energy: -50.428
flat angles C4'-P-C4' energy: -44.510
flat angles P-C4'-P energy: -34.799
tors. eta vs tors. theta energy: -18.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -956.160445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.160445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.160445 (E_RNA)
where:
Base-Base interactions energy: -680.188
where: short stacking energy: -261.281
Base-Backbone interact. energy: -2.607
local terms energy: -273.364741
where:
bonds (distance) C4'-P energy: -51.571
bonds (distance) P-C4' energy: -52.206
flat angles C4'-P-C4' energy: -57.217
flat angles P-C4'-P energy: -38.416
tors. eta vs tors. theta energy: -73.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -955.981497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.981497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.981497 (E_RNA)
where:
Base-Base interactions energy: -670.123
where: short stacking energy: -266.383
Base-Backbone interact. energy: 0.099
local terms energy: -285.957307
where:
bonds (distance) C4'-P energy: -50.376
bonds (distance) P-C4' energy: -59.830
flat angles C4'-P-C4' energy: -51.550
flat angles P-C4'-P energy: -43.419
tors. eta vs tors. theta energy: -80.782
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: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -904.338401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.338401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.338401 (E_RNA)
where:
Base-Base interactions energy: -643.029
where: short stacking energy: -249.219
Base-Backbone interact. energy: -0.238
local terms energy: -261.071900
where:
bonds (distance) C4'-P energy: -47.654
bonds (distance) P-C4' energy: -53.472
flat angles C4'-P-C4' energy: -58.325
flat angles P-C4'-P energy: -37.096
tors. eta vs tors. theta energy: -64.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -885.340257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.340257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.340257 (E_RNA)
where:
Base-Base interactions energy: -640.471
where: short stacking energy: -250.720
Base-Backbone interact. energy: -2.585
local terms energy: -242.284305
where:
bonds (distance) C4'-P energy: -43.422
bonds (distance) P-C4' energy: -48.689
flat angles C4'-P-C4' energy: -52.622
flat angles P-C4'-P energy: -26.519
tors. eta vs tors. theta energy: -71.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -813.412661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.412661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.412661 (E_RNA)
where:
Base-Base interactions energy: -566.300
where: short stacking energy: -253.479
Base-Backbone interact. energy: 0.604
local terms energy: -247.716822
where:
bonds (distance) C4'-P energy: -43.645
bonds (distance) P-C4' energy: -44.786
flat angles C4'-P-C4' energy: -54.409
flat angles P-C4'-P energy: -32.461
tors. eta vs tors. theta energy: -72.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -729.765113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.765113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.765113 (E_RNA)
where:
Base-Base interactions energy: -495.712
where: short stacking energy: -201.228
Base-Backbone interact. energy: 1.691
local terms energy: -235.744184
where:
bonds (distance) C4'-P energy: -42.725
bonds (distance) P-C4' energy: -51.784
flat angles C4'-P-C4' energy: -52.405
flat angles P-C4'-P energy: -34.430
tors. eta vs tors. theta energy: -54.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -682.330669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.330669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.330669 (E_RNA)
where:
Base-Base interactions energy: -471.633
where: short stacking energy: -208.367
Base-Backbone interact. energy: -1.072
local terms energy: -209.625216
where:
bonds (distance) C4'-P energy: -34.514
bonds (distance) P-C4' energy: -53.886
flat angles C4'-P-C4' energy: -50.557
flat angles P-C4'-P energy: -27.195
tors. eta vs tors. theta energy: -43.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -645.478162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.478162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.478162 (E_RNA)
where:
Base-Base interactions energy: -425.913
where: short stacking energy: -185.078
Base-Backbone interact. energy: 3.111
local terms energy: -222.675651
where:
bonds (distance) C4'-P energy: -47.076
bonds (distance) P-C4' energy: -50.906
flat angles C4'-P-C4' energy: -52.274
flat angles P-C4'-P energy: -25.777
tors. eta vs tors. theta energy: -46.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -673.352398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.352398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.352398 (E_RNA)
where:
Base-Base interactions energy: -462.898
where: short stacking energy: -183.356
Base-Backbone interact. energy: -2.174
local terms energy: -208.279713
where:
bonds (distance) C4'-P energy: -38.796
bonds (distance) P-C4' energy: -57.955
flat angles C4'-P-C4' energy: -48.421
flat angles P-C4'-P energy: -19.804
tors. eta vs tors. theta energy: -43.303
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: 10, replica: 3
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -464.265243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.265243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.265243 (E_RNA)
where:
Base-Base interactions energy: -303.577
where: short stacking energy: -136.564
Base-Backbone interact. energy: 1.593
local terms energy: -162.281645
where:
bonds (distance) C4'-P energy: -38.151
bonds (distance) P-C4' energy: -39.498
flat angles C4'-P-C4' energy: -45.952
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -24.794
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: 376
Temperature: 0.900000
Total energy: -961.745876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.745876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.745876 (E_RNA)
where:
Base-Base interactions energy: -669.603
where: short stacking energy: -277.769
Base-Backbone interact. energy: 0.169
local terms energy: -292.310940
where:
bonds (distance) C4'-P energy: -61.747
bonds (distance) P-C4' energy: -46.462
flat angles C4'-P-C4' energy: -64.362
flat angles P-C4'-P energy: -35.894
tors. eta vs tors. theta energy: -83.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -943.792878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.792878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.792878 (E_RNA)
where:
Base-Base interactions energy: -672.203
where: short stacking energy: -253.153
Base-Backbone interact. energy: -2.459
local terms energy: -269.130094
where:
bonds (distance) C4'-P energy: -51.852
bonds (distance) P-C4' energy: -48.086
flat angles C4'-P-C4' energy: -58.130
flat angles P-C4'-P energy: -38.252
tors. eta vs tors. theta energy: -72.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -927.487496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.487496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.487496 (E_RNA)
where:
Base-Base interactions energy: -649.375
where: short stacking energy: -264.736
Base-Backbone interact. energy: -1.859
local terms energy: -276.253407
where:
bonds (distance) C4'-P energy: -47.925
bonds (distance) P-C4' energy: -54.657
flat angles C4'-P-C4' energy: -54.618
flat angles P-C4'-P energy: -43.357
tors. eta vs tors. theta energy: -75.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -895.006489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.006489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.006489 (E_RNA)
where:
Base-Base interactions energy: -620.392
where: short stacking energy: -252.532
Base-Backbone interact. energy: 1.341
local terms energy: -275.955718
where:
bonds (distance) C4'-P energy: -55.804
bonds (distance) P-C4' energy: -52.938
flat angles C4'-P-C4' energy: -58.408
flat angles P-C4'-P energy: -40.426
tors. eta vs tors. theta energy: -68.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -818.893340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.893340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.893340 (E_RNA)
where:
Base-Base interactions energy: -575.455
where: short stacking energy: -232.537
Base-Backbone interact. energy: -2.383
local terms energy: -241.054757
where:
bonds (distance) C4'-P energy: -45.442
bonds (distance) P-C4' energy: -53.817
flat angles C4'-P-C4' energy: -46.744
flat angles P-C4'-P energy: -29.875
tors. eta vs tors. theta energy: -65.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -719.024309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.024309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.024309 (E_RNA)
where:
Base-Base interactions energy: -484.326
where: short stacking energy: -205.708
Base-Backbone interact. energy: -0.489
local terms energy: -234.208919
where:
bonds (distance) C4'-P energy: -52.687
bonds (distance) P-C4' energy: -33.632
flat angles C4'-P-C4' energy: -52.507
flat angles P-C4'-P energy: -39.314
tors. eta vs tors. theta energy: -56.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -721.328738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.328738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.328738 (E_RNA)
where:
Base-Base interactions energy: -493.797
where: short stacking energy: -201.853
Base-Backbone interact. energy: -0.712
local terms energy: -226.820401
where:
bonds (distance) C4'-P energy: -54.702
bonds (distance) P-C4' energy: -43.365
flat angles C4'-P-C4' energy: -44.744
flat angles P-C4'-P energy: -35.840
tors. eta vs tors. theta energy: -48.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -667.039280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.039280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.039280 (E_RNA)
where:
Base-Base interactions energy: -452.943
where: short stacking energy: -196.975
Base-Backbone interact. energy: -1.133
local terms energy: -212.962735
where:
bonds (distance) C4'-P energy: -37.780
bonds (distance) P-C4' energy: -44.532
flat angles C4'-P-C4' energy: -45.329
flat angles P-C4'-P energy: -36.749
tors. eta vs tors. theta energy: -48.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -655.854454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.854454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.854454 (E_RNA)
where:
Base-Base interactions energy: -442.442
where: short stacking energy: -199.059
Base-Backbone interact. energy: 0.648
local terms energy: -214.060745
where:
bonds (distance) C4'-P energy: -31.359
bonds (distance) P-C4' energy: -56.353
flat angles C4'-P-C4' energy: -50.381
flat angles P-C4'-P energy: -26.808
tors. eta vs tors. theta energy: -49.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -494.694342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.694342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.694342 (E_RNA)
where:
Base-Base interactions energy: -310.433
where: short stacking energy: -138.449
Base-Backbone interact. energy: -0.907
local terms energy: -183.354846
where:
bonds (distance) C4'-P energy: -39.322
bonds (distance) P-C4' energy: -44.984
flat angles C4'-P-C4' energy: -44.093
flat angles P-C4'-P energy: -33.614
tors. eta vs tors. theta energy: -21.342
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: 377
Temperature: 0.900000
Total energy: -953.918940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.918940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.918940 (E_RNA)
where:
Base-Base interactions energy: -673.489
where: short stacking energy: -276.329
Base-Backbone interact. energy: -1.320
local terms energy: -279.109902
where:
bonds (distance) C4'-P energy: -52.926
bonds (distance) P-C4' energy: -59.671
flat angles C4'-P-C4' energy: -54.184
flat angles P-C4'-P energy: -38.110
tors. eta vs tors. theta energy: -74.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -950.907047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.907047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.907047 (E_RNA)
where:
Base-Base interactions energy: -656.193
where: short stacking energy: -276.645
Base-Backbone interact. energy: -0.977
local terms energy: -293.736869
where:
bonds (distance) C4'-P energy: -52.929
bonds (distance) P-C4' energy: -57.134
flat angles C4'-P-C4' energy: -61.685
flat angles P-C4'-P energy: -42.151
tors. eta vs tors. theta energy: -79.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -902.470045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.470045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.470045 (E_RNA)
where:
Base-Base interactions energy: -631.654
where: short stacking energy: -255.659
Base-Backbone interact. energy: -1.377
local terms energy: -269.438081
where:
bonds (distance) C4'-P energy: -47.086
bonds (distance) P-C4' energy: -53.090
flat angles C4'-P-C4' energy: -52.511
flat angles P-C4'-P energy: -44.665
tors. eta vs tors. theta energy: -72.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -894.997183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.997183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.997183 (E_RNA)
where:
Base-Base interactions energy: -641.069
where: short stacking energy: -238.919
Base-Backbone interact. energy: 4.922
local terms energy: -258.850204
where:
bonds (distance) C4'-P energy: -49.348
bonds (distance) P-C4' energy: -50.140
flat angles C4'-P-C4' energy: -49.953
flat angles P-C4'-P energy: -37.329
tors. eta vs tors. theta energy: -72.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -836.463562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.463562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.463562 (E_RNA)
where:
Base-Base interactions energy: -587.271
where: short stacking energy: -230.165
Base-Backbone interact. energy: -1.435
local terms energy: -247.757445
where:
bonds (distance) C4'-P energy: -47.527
bonds (distance) P-C4' energy: -57.066
flat angles C4'-P-C4' energy: -54.461
flat angles P-C4'-P energy: -30.667
tors. eta vs tors. theta energy: -58.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -777.203616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.203616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.203616 (E_RNA)
where:
Base-Base interactions energy: -543.569
where: short stacking energy: -224.656
Base-Backbone interact. energy: -0.236
local terms energy: -233.398930
where:
bonds (distance) C4'-P energy: -57.261
bonds (distance) P-C4' energy: -50.455
flat angles C4'-P-C4' energy: -42.509
flat angles P-C4'-P energy: -30.800
tors. eta vs tors. theta energy: -52.373
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: 7
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -723.032748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.032748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.032748 (E_RNA)
where:
Base-Base interactions energy: -502.242
where: short stacking energy: -221.302
Base-Backbone interact. energy: -3.118
local terms energy: -217.673281
where:
bonds (distance) C4'-P energy: -44.505
bonds (distance) P-C4' energy: -53.082
flat angles C4'-P-C4' energy: -40.087
flat angles P-C4'-P energy: -23.552
tors. eta vs tors. theta energy: -56.446
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: 2
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -658.982833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.982833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.982833 (E_RNA)
where:
Base-Base interactions energy: -453.022
where: short stacking energy: -194.688
Base-Backbone interact. energy: 0.282
local terms energy: -206.242319
where:
bonds (distance) C4'-P energy: -37.469
bonds (distance) P-C4' energy: -43.215
flat angles C4'-P-C4' energy: -48.954
flat angles P-C4'-P energy: -34.039
tors. eta vs tors. theta energy: -42.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -631.504441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.504441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.504441 (E_RNA)
where:
Base-Base interactions energy: -408.398
where: short stacking energy: -175.816
Base-Backbone interact. energy: -1.715
local terms energy: -221.391166
where:
bonds (distance) C4'-P energy: -40.867
bonds (distance) P-C4' energy: -48.525
flat angles C4'-P-C4' energy: -50.994
flat angles P-C4'-P energy: -31.342
tors. eta vs tors. theta energy: -49.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -481.081212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.081212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.081212 (E_RNA)
where:
Base-Base interactions energy: -282.403
where: short stacking energy: -133.189
Base-Backbone interact. energy: 0.343
local terms energy: -199.021832
where:
bonds (distance) C4'-P energy: -43.949
bonds (distance) P-C4' energy: -53.074
flat angles C4'-P-C4' energy: -47.935
flat angles P-C4'-P energy: -31.118
tors. eta vs tors. theta energy: -22.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -968.584018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.584018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.584018 (E_RNA)
where:
Base-Base interactions energy: -667.356
where: short stacking energy: -287.081
Base-Backbone interact. energy: -0.531
local terms energy: -300.696813
where:
bonds (distance) C4'-P energy: -51.407
bonds (distance) P-C4' energy: -57.305
flat angles C4'-P-C4' energy: -61.447
flat angles P-C4'-P energy: -42.633
tors. eta vs tors. theta energy: -87.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -954.518170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.518170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.518170 (E_RNA)
where:
Base-Base interactions energy: -665.980
where: short stacking energy: -278.291
Base-Backbone interact. energy: -2.144
local terms energy: -286.394162
where:
bonds (distance) C4'-P energy: -62.453
bonds (distance) P-C4' energy: -56.453
flat angles C4'-P-C4' energy: -54.426
flat angles P-C4'-P energy: -34.814
tors. eta vs tors. theta energy: -78.248
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: 378
Temperature: 1.000000
Total energy: -884.978699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.978699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.978699 (E_RNA)
where:
Base-Base interactions energy: -636.009
where: short stacking energy: -246.216
Base-Backbone interact. energy: -0.828
local terms energy: -248.141966
where:
bonds (distance) C4'-P energy: -46.188
bonds (distance) P-C4' energy: -43.015
flat angles C4'-P-C4' energy: -60.032
flat angles P-C4'-P energy: -38.171
tors. eta vs tors. theta energy: -60.737
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: 4
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -897.037057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.037057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.037057 (E_RNA)
where:
Base-Base interactions energy: -637.681
where: short stacking energy: -259.058
Base-Backbone interact. energy: -2.805
local terms energy: -256.551178
where:
bonds (distance) C4'-P energy: -42.881
bonds (distance) P-C4' energy: -49.281
flat angles C4'-P-C4' energy: -54.694
flat angles P-C4'-P energy: -39.947
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: 5, replica: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -831.118825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.118825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.118825 (E_RNA)
where:
Base-Base interactions energy: -581.674
where: short stacking energy: -227.908
Base-Backbone interact. energy: -0.770
local terms energy: -248.675537
where:
bonds (distance) C4'-P energy: -54.093
bonds (distance) P-C4' energy: -50.961
flat angles C4'-P-C4' energy: -47.573
flat angles P-C4'-P energy: -39.859
tors. eta vs tors. theta energy: -56.189
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: 378
Temperature: 1.150000
Total energy: -771.815429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.815429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.815429 (E_RNA)
where:
Base-Base interactions energy: -540.795
where: short stacking energy: -222.030
Base-Backbone interact. energy: -2.089
local terms energy: -228.931660
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -44.125
flat angles C4'-P-C4' energy: -45.241
flat angles P-C4'-P energy: -35.405
tors. eta vs tors. theta energy: -52.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -705.712827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.712827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.712827 (E_RNA)
where:
Base-Base interactions energy: -475.388
where: short stacking energy: -196.887
Base-Backbone interact. energy: -0.860
local terms energy: -229.464823
where:
bonds (distance) C4'-P energy: -50.662
bonds (distance) P-C4' energy: -43.469
flat angles C4'-P-C4' energy: -56.849
flat angles P-C4'-P energy: -28.114
tors. eta vs tors. theta energy: -50.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -672.727033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.727033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.727033 (E_RNA)
where:
Base-Base interactions energy: -470.389
where: short stacking energy: -194.084
Base-Backbone interact. energy: -0.379
local terms energy: -201.959124
where:
bonds (distance) C4'-P energy: -47.635
bonds (distance) P-C4' energy: -36.009
flat angles C4'-P-C4' energy: -47.103
flat angles P-C4'-P energy: -27.013
tors. eta vs tors. theta energy: -44.199
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: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -619.647486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.647486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.647486 (E_RNA)
where:
Base-Base interactions energy: -433.444
where: short stacking energy: -179.203
Base-Backbone interact. energy: 3.216
local terms energy: -189.420037
where:
bonds (distance) C4'-P energy: -29.890
bonds (distance) P-C4' energy: -48.572
flat angles C4'-P-C4' energy: -36.849
flat angles P-C4'-P energy: -38.416
tors. eta vs tors. theta energy: -35.693
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: 3
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -467.398756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.398756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.398756 (E_RNA)
where:
Base-Base interactions energy: -296.520
where: short stacking energy: -133.706
Base-Backbone interact. energy: 3.546
local terms energy: -174.424394
where:
bonds (distance) C4'-P energy: -47.915
bonds (distance) P-C4' energy: -39.870
flat angles C4'-P-C4' energy: -46.470
flat angles P-C4'-P energy: -26.567
tors. eta vs tors. theta energy: -13.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -978.267094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.267094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.267094 (E_RNA)
where:
Base-Base interactions energy: -683.700
where: short stacking energy: -277.118
Base-Backbone interact. energy: -1.453
local terms energy: -293.114570
where:
bonds (distance) C4'-P energy: -56.361
bonds (distance) P-C4' energy: -50.648
flat angles C4'-P-C4' energy: -61.033
flat angles P-C4'-P energy: -41.936
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: 2, replica: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -947.052751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.052751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.052751 (E_RNA)
where:
Base-Base interactions energy: -671.830
where: short stacking energy: -270.577
Base-Backbone interact. energy: 6.293
local terms energy: -281.515090
where:
bonds (distance) C4'-P energy: -54.220
bonds (distance) P-C4' energy: -50.675
flat angles C4'-P-C4' energy: -57.258
flat angles P-C4'-P energy: -40.165
tors. eta vs tors. theta energy: -79.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -914.262256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.262256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.262256 (E_RNA)
where:
Base-Base interactions energy: -630.606
where: short stacking energy: -253.398
Base-Backbone interact. energy: -2.177
local terms energy: -281.480006
where:
bonds (distance) C4'-P energy: -50.808
bonds (distance) P-C4' energy: -58.161
flat angles C4'-P-C4' energy: -51.304
flat angles P-C4'-P energy: -45.576
tors. eta vs tors. theta energy: -75.632
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: 10
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -873.815822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.815822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.815822 (E_RNA)
where:
Base-Base interactions energy: -621.026
where: short stacking energy: -260.124
Base-Backbone interact. energy: 0.347
local terms energy: -253.136912
where:
bonds (distance) C4'-P energy: -49.573
bonds (distance) P-C4' energy: -53.984
flat angles C4'-P-C4' energy: -48.511
flat angles P-C4'-P energy: -34.735
tors. eta vs tors. theta energy: -66.333
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: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -853.306399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.306399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.306399 (E_RNA)
where:
Base-Base interactions energy: -586.019
where: short stacking energy: -251.817
Base-Backbone interact. energy: -2.126
local terms energy: -265.162099
where:
bonds (distance) C4'-P energy: -49.120
bonds (distance) P-C4' energy: -57.893
flat angles C4'-P-C4' energy: -55.286
flat angles P-C4'-P energy: -41.220
tors. eta vs tors. theta energy: -61.644
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: 379
Temperature: 1.150000
Total energy: -748.836841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.836841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.836841 (E_RNA)
where:
Base-Base interactions energy: -522.589
where: short stacking energy: -209.350
Base-Backbone interact. energy: -1.106
local terms energy: -225.141444
where:
bonds (distance) C4'-P energy: -45.992
bonds (distance) P-C4' energy: -41.559
flat angles C4'-P-C4' energy: -50.024
flat angles P-C4'-P energy: -34.641
tors. eta vs tors. theta energy: -52.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -691.716964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.716964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.716964 (E_RNA)
where:
Base-Base interactions energy: -472.996
where: short stacking energy: -181.495
Base-Backbone interact. energy: -0.400
local terms energy: -218.321254
where:
bonds (distance) C4'-P energy: -45.648
bonds (distance) P-C4' energy: -49.076
flat angles C4'-P-C4' energy: -52.310
flat angles P-C4'-P energy: -33.436
tors. eta vs tors. theta energy: -37.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -676.413605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.413605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.413605 (E_RNA)
where:
Base-Base interactions energy: -462.173
where: short stacking energy: -207.918
Base-Backbone interact. energy: -1.521
local terms energy: -212.719764
where:
bonds (distance) C4'-P energy: -47.467
bonds (distance) P-C4' energy: -47.218
flat angles C4'-P-C4' energy: -46.542
flat angles P-C4'-P energy: -22.999
tors. eta vs tors. theta energy: -48.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -592.919945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.919945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.919945 (E_RNA)
where:
Base-Base interactions energy: -391.794
where: short stacking energy: -168.172
Base-Backbone interact. energy: 1.131
local terms energy: -202.257040
where:
bonds (distance) C4'-P energy: -40.286
bonds (distance) P-C4' energy: -54.256
flat angles C4'-P-C4' energy: -44.637
flat angles P-C4'-P energy: -35.952
tors. eta vs tors. theta energy: -27.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -444.030028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.030028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.030028 (E_RNA)
where:
Base-Base interactions energy: -293.838
where: short stacking energy: -137.499
Base-Backbone interact. energy: 1.239
local terms energy: -151.430640
where:
bonds (distance) C4'-P energy: -40.712
bonds (distance) P-C4' energy: -31.817
flat angles C4'-P-C4' energy: -27.387
flat angles P-C4'-P energy: -31.974
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -984.738843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.738843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.738843 (E_RNA)
where:
Base-Base interactions energy: -694.871
where: short stacking energy: -280.323
Base-Backbone interact. energy: -0.774
local terms energy: -289.093443
where:
bonds (distance) C4'-P energy: -54.873
bonds (distance) P-C4' energy: -45.160
flat angles C4'-P-C4' energy: -58.235
flat angles P-C4'-P energy: -45.034
tors. eta vs tors. theta energy: -85.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -927.095374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.095374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.095374 (E_RNA)
where:
Base-Base interactions energy: -641.121
where: short stacking energy: -254.995
Base-Backbone interact. energy: 0.230
local terms energy: -286.204402
where:
bonds (distance) C4'-P energy: -51.656
bonds (distance) P-C4' energy: -53.829
flat angles C4'-P-C4' energy: -57.750
flat angles P-C4'-P energy: -42.915
tors. eta vs tors. theta energy: -80.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -903.591341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.591341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.591341 (E_RNA)
where:
Base-Base interactions energy: -631.591
where: short stacking energy: -263.337
Base-Backbone interact. energy: -1.574
local terms energy: -270.426822
where:
bonds (distance) C4'-P energy: -54.021
bonds (distance) P-C4' energy: -55.423
flat angles C4'-P-C4' energy: -53.389
flat angles P-C4'-P energy: -39.116
tors. eta vs tors. theta energy: -68.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -872.267595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.267595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.267595 (E_RNA)
where:
Base-Base interactions energy: -623.319
where: short stacking energy: -244.572
Base-Backbone interact. energy: -1.351
local terms energy: -247.598263
where:
bonds (distance) C4'-P energy: -55.935
bonds (distance) P-C4' energy: -41.298
flat angles C4'-P-C4' energy: -51.944
flat angles P-C4'-P energy: -31.761
tors. eta vs tors. theta energy: -66.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -818.551716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.551716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.551716 (E_RNA)
where:
Base-Base interactions energy: -583.258
where: short stacking energy: -242.124
Base-Backbone interact. energy: -1.165
local terms energy: -234.128118
where:
bonds (distance) C4'-P energy: -44.010
bonds (distance) P-C4' energy: -46.273
flat angles C4'-P-C4' energy: -56.298
flat angles P-C4'-P energy: -30.787
tors. eta vs tors. theta energy: -56.760
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: 6
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -729.581466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.581466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.581466 (E_RNA)
where:
Base-Base interactions energy: -511.893
where: short stacking energy: -207.555
Base-Backbone interact. energy: 0.334
local terms energy: -218.021711
where:
bonds (distance) C4'-P energy: -44.981
bonds (distance) P-C4' energy: -40.670
flat angles C4'-P-C4' energy: -56.040
flat angles P-C4'-P energy: -30.671
tors. eta vs tors. theta energy: -45.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -669.677524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.677524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.677524 (E_RNA)
where:
Base-Base interactions energy: -463.521
where: short stacking energy: -193.846
Base-Backbone interact. energy: 0.555
local terms energy: -206.712433
where:
bonds (distance) C4'-P energy: -45.250
bonds (distance) P-C4' energy: -47.357
flat angles C4'-P-C4' energy: -45.574
flat angles P-C4'-P energy: -30.115
tors. eta vs tors. theta energy: -38.416
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: 2
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -696.734144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.734144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.734144 (E_RNA)
where:
Base-Base interactions energy: -463.974
where: short stacking energy: -199.769
Base-Backbone interact. energy: -0.862
local terms energy: -231.897885
where:
bonds (distance) C4'-P energy: -49.405
bonds (distance) P-C4' energy: -51.447
flat angles C4'-P-C4' energy: -48.962
flat angles P-C4'-P energy: -31.539
tors. eta vs tors. theta energy: -50.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -613.499633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.499633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.499633 (E_RNA)
where:
Base-Base interactions energy: -419.589
where: short stacking energy: -171.284
Base-Backbone interact. energy: 0.968
local terms energy: -194.878815
where:
bonds (distance) C4'-P energy: -24.090
bonds (distance) P-C4' energy: -48.564
flat angles C4'-P-C4' energy: -53.818
flat angles P-C4'-P energy: -35.028
tors. eta vs tors. theta energy: -33.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -486.385881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.385881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.385881 (E_RNA)
where:
Base-Base interactions energy: -321.759
where: short stacking energy: -136.154
Base-Backbone interact. energy: -0.973
local terms energy: -163.654276
where:
bonds (distance) C4'-P energy: -30.339
bonds (distance) P-C4' energy: -44.593
flat angles C4'-P-C4' energy: -44.395
flat angles P-C4'-P energy: -23.033
tors. eta vs tors. theta energy: -21.295
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: 9
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1003.461031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.461031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.461031 (E_RNA)
where:
Base-Base interactions energy: -709.890
where: short stacking energy: -286.908
Base-Backbone interact. energy: 0.729
local terms energy: -294.300204
where:
bonds (distance) C4'-P energy: -49.990
bonds (distance) P-C4' energy: -53.505
flat angles C4'-P-C4' energy: -63.238
flat angles P-C4'-P energy: -46.940
tors. eta vs tors. theta energy: -80.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -932.899482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.899482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.899482 (E_RNA)
where:
Base-Base interactions energy: -649.100
where: short stacking energy: -260.954
Base-Backbone interact. energy: -2.604
local terms energy: -281.195382
where:
bonds (distance) C4'-P energy: -37.125
bonds (distance) P-C4' energy: -61.647
flat angles C4'-P-C4' energy: -60.124
flat angles P-C4'-P energy: -46.340
tors. eta vs tors. theta energy: -75.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -908.601118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.601118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.601118 (E_RNA)
where:
Base-Base interactions energy: -631.984
where: short stacking energy: -263.625
Base-Backbone interact. energy: -1.402
local terms energy: -275.215220
where:
bonds (distance) C4'-P energy: -49.273
bonds (distance) P-C4' energy: -48.959
flat angles C4'-P-C4' energy: -56.095
flat angles P-C4'-P energy: -46.165
tors. eta vs tors. theta energy: -74.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -902.017522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.017522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.017522 (E_RNA)
where:
Base-Base interactions energy: -636.915
where: short stacking energy: -258.200
Base-Backbone interact. energy: -2.859
local terms energy: -262.242975
where:
bonds (distance) C4'-P energy: -56.014
bonds (distance) P-C4' energy: -38.220
flat angles C4'-P-C4' energy: -61.739
flat angles P-C4'-P energy: -37.884
tors. eta vs tors. theta energy: -68.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -816.168593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.168593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.168593 (E_RNA)
where:
Base-Base interactions energy: -565.691
where: short stacking energy: -218.876
Base-Backbone interact. energy: -1.593
local terms energy: -248.884504
where:
bonds (distance) C4'-P energy: -49.894
bonds (distance) P-C4' energy: -48.724
flat angles C4'-P-C4' energy: -52.840
flat angles P-C4'-P energy: -34.732
tors. eta vs tors. theta energy: -62.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -736.958756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.958756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.958756 (E_RNA)
where:
Base-Base interactions energy: -514.837
where: short stacking energy: -202.982
Base-Backbone interact. energy: 0.500
local terms energy: -222.621709
where:
bonds (distance) C4'-P energy: -53.779
bonds (distance) P-C4' energy: -47.791
flat angles C4'-P-C4' energy: -51.651
flat angles P-C4'-P energy: -24.268
tors. eta vs tors. theta energy: -45.132
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: 7, replica: 7
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -696.648849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.648849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.648849 (E_RNA)
where:
Base-Base interactions energy: -482.921
where: short stacking energy: -207.494
Base-Backbone interact. energy: 0.034
local terms energy: -213.762197
where:
bonds (distance) C4'-P energy: -45.181
bonds (distance) P-C4' energy: -45.892
flat angles C4'-P-C4' energy: -45.449
flat angles P-C4'-P energy: -27.669
tors. eta vs tors. theta energy: -49.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -725.304324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.304324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.304324 (E_RNA)
where:
Base-Base interactions energy: -501.550
where: short stacking energy: -205.240
Base-Backbone interact. energy: -0.824
local terms energy: -222.931006
where:
bonds (distance) C4'-P energy: -46.139
bonds (distance) P-C4' energy: -29.867
flat angles C4'-P-C4' energy: -52.676
flat angles P-C4'-P energy: -38.140
tors. eta vs tors. theta energy: -56.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -654.293163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.293163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.293163 (E_RNA)
where:
Base-Base interactions energy: -439.664
where: short stacking energy: -195.848
Base-Backbone interact. energy: -0.803
local terms energy: -213.826571
where:
bonds (distance) C4'-P energy: -39.720
bonds (distance) P-C4' energy: -48.743
flat angles C4'-P-C4' energy: -54.600
flat angles P-C4'-P energy: -28.349
tors. eta vs tors. theta energy: -42.415
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: 3
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -466.641535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.641535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.641535 (E_RNA)
where:
Base-Base interactions energy: -284.487
where: short stacking energy: -142.573
Base-Backbone interact. energy: 0.226
local terms energy: -182.381310
where:
bonds (distance) C4'-P energy: -53.599
bonds (distance) P-C4' energy: -43.143
flat angles C4'-P-C4' energy: -39.994
flat angles P-C4'-P energy: -25.751
tors. eta vs tors. theta energy: -19.894
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: 1, replica: 9
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -982.826812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.826812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.826812 (E_RNA)
where:
Base-Base interactions energy: -685.040
where: short stacking energy: -295.376
Base-Backbone interact. energy: -0.392
local terms energy: -297.394821
where:
bonds (distance) C4'-P energy: -53.583
bonds (distance) P-C4' energy: -53.032
flat angles C4'-P-C4' energy: -63.092
flat angles P-C4'-P energy: -43.923
tors. eta vs tors. theta energy: -83.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -926.363858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.363858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.363858 (E_RNA)
where:
Base-Base interactions energy: -664.662
where: short stacking energy: -265.289
Base-Backbone interact. energy: -2.686
local terms energy: -259.015796
where:
bonds (distance) C4'-P energy: -37.981
bonds (distance) P-C4' energy: -44.617
flat angles C4'-P-C4' energy: -62.510
flat angles P-C4'-P energy: -45.528
tors. eta vs tors. theta energy: -68.379
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: 3, replica: 1
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -911.671670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.671670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.671670 (E_RNA)
where:
Base-Base interactions energy: -630.912
where: short stacking energy: -274.910
Base-Backbone interact. energy: -0.533
local terms energy: -280.226604
where:
bonds (distance) C4'-P energy: -47.725
bonds (distance) P-C4' energy: -50.093
flat angles C4'-P-C4' energy: -60.279
flat angles P-C4'-P energy: -41.978
tors. eta vs tors. theta energy: -80.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -869.952662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.952662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.952662 (E_RNA)
where:
Base-Base interactions energy: -602.907
where: short stacking energy: -224.776
Base-Backbone interact. energy: -0.194
local terms energy: -266.851606
where:
bonds (distance) C4'-P energy: -46.450
bonds (distance) P-C4' energy: -59.642
flat angles C4'-P-C4' energy: -49.821
flat angles P-C4'-P energy: -41.106
tors. eta vs tors. theta energy: -69.833
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: 5, replica: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -822.896245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.896245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.896245 (E_RNA)
where:
Base-Base interactions energy: -559.282
where: short stacking energy: -226.497
Base-Backbone interact. energy: -2.679
local terms energy: -260.935414
where:
bonds (distance) C4'-P energy: -50.804
bonds (distance) P-C4' energy: -51.445
flat angles C4'-P-C4' energy: -54.612
flat angles P-C4'-P energy: -41.610
tors. eta vs tors. theta energy: -62.465
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: 6
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -739.023003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.023003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.023003 (E_RNA)
where:
Base-Base interactions energy: -515.592
where: short stacking energy: -215.283
Base-Backbone interact. energy: -1.215
local terms energy: -222.215421
where:
bonds (distance) C4'-P energy: -50.744
bonds (distance) P-C4' energy: -50.115
flat angles C4'-P-C4' energy: -47.121
flat angles P-C4'-P energy: -30.642
tors. eta vs tors. theta energy: -43.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -748.899650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.899650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.899650 (E_RNA)
where:
Base-Base interactions energy: -502.288
where: short stacking energy: -210.373
Base-Backbone interact. energy: -0.733
local terms energy: -245.878862
where:
bonds (distance) C4'-P energy: -52.973
bonds (distance) P-C4' energy: -47.949
flat angles C4'-P-C4' energy: -46.041
flat angles P-C4'-P energy: -37.357
tors. eta vs tors. theta energy: -61.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -677.284890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.284890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.284890 (E_RNA)
where:
Base-Base interactions energy: -462.048
where: short stacking energy: -180.453
Base-Backbone interact. energy: -0.466
local terms energy: -214.770806
where:
bonds (distance) C4'-P energy: -42.646
bonds (distance) P-C4' energy: -45.800
flat angles C4'-P-C4' energy: -51.901
flat angles P-C4'-P energy: -32.785
tors. eta vs tors. theta energy: -41.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -598.131435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.131435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.131435 (E_RNA)
where:
Base-Base interactions energy: -395.888
where: short stacking energy: -175.592
Base-Backbone interact. energy: -0.018
local terms energy: -202.224740
where:
bonds (distance) C4'-P energy: -52.730
bonds (distance) P-C4' energy: -45.706
flat angles C4'-P-C4' energy: -40.003
flat angles P-C4'-P energy: -22.817
tors. eta vs tors. theta energy: -40.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -522.344387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.344387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.344387 (E_RNA)
where:
Base-Base interactions energy: -324.879
where: short stacking energy: -140.284
Base-Backbone interact. energy: -0.162
local terms energy: -197.303969
where:
bonds (distance) C4'-P energy: -51.268
bonds (distance) P-C4' energy: -46.211
flat angles C4'-P-C4' energy: -49.205
flat angles P-C4'-P energy: -29.420
tors. eta vs tors. theta energy: -21.199
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: 1, replica: 9
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -969.979611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.979611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.979611 (E_RNA)
where:
Base-Base interactions energy: -685.471
where: short stacking energy: -269.626
Base-Backbone interact. energy: 0.881
local terms energy: -285.389930
where:
bonds (distance) C4'-P energy: -52.332
bonds (distance) P-C4' energy: -59.092
flat angles C4'-P-C4' energy: -61.751
flat angles P-C4'-P energy: -34.446
tors. eta vs tors. theta energy: -77.768
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: 383
Temperature: 0.950000
Total energy: -930.274580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.274580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.274580 (E_RNA)
where:
Base-Base interactions energy: -655.696
where: short stacking energy: -268.696
Base-Backbone interact. energy: -3.396
local terms energy: -271.181968
where:
bonds (distance) C4'-P energy: -52.881
bonds (distance) P-C4' energy: -45.587
flat angles C4'-P-C4' energy: -61.749
flat angles P-C4'-P energy: -42.685
tors. eta vs tors. theta energy: -68.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -922.370625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.370625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.370625 (E_RNA)
where:
Base-Base interactions energy: -648.818
where: short stacking energy: -262.125
Base-Backbone interact. energy: 0.409
local terms energy: -273.961600
where:
bonds (distance) C4'-P energy: -56.250
bonds (distance) P-C4' energy: -53.571
flat angles C4'-P-C4' energy: -54.704
flat angles P-C4'-P energy: -39.516
tors. eta vs tors. theta energy: -69.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -879.949804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.949804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.949804 (E_RNA)
where:
Base-Base interactions energy: -636.370
where: short stacking energy: -246.729
Base-Backbone interact. energy: -0.203
local terms energy: -243.376855
where:
bonds (distance) C4'-P energy: -38.276
bonds (distance) P-C4' energy: -46.573
flat angles C4'-P-C4' energy: -57.342
flat angles P-C4'-P energy: -40.057
tors. eta vs tors. theta energy: -61.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -849.369612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.369612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.369612 (E_RNA)
where:
Base-Base interactions energy: -583.251
where: short stacking energy: -250.316
Base-Backbone interact. energy: -1.773
local terms energy: -264.345644
where:
bonds (distance) C4'-P energy: -58.420
bonds (distance) P-C4' energy: -48.488
flat angles C4'-P-C4' energy: -54.537
flat angles P-C4'-P energy: -34.821
tors. eta vs tors. theta energy: -68.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -745.076653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.076653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.076653 (E_RNA)
where:
Base-Base interactions energy: -499.997
where: short stacking energy: -211.210
Base-Backbone interact. energy: -0.550
local terms energy: -244.529568
where:
bonds (distance) C4'-P energy: -43.951
bonds (distance) P-C4' energy: -52.722
flat angles C4'-P-C4' energy: -53.235
flat angles P-C4'-P energy: -32.713
tors. eta vs tors. theta energy: -61.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -729.643771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.643771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.643771 (E_RNA)
where:
Base-Base interactions energy: -492.156
where: short stacking energy: -212.374
Base-Backbone interact. energy: -0.355
local terms energy: -237.133187
where:
bonds (distance) C4'-P energy: -49.758
bonds (distance) P-C4' energy: -50.415
flat angles C4'-P-C4' energy: -52.101
flat angles P-C4'-P energy: -33.468
tors. eta vs tors. theta energy: -51.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -645.423690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.423690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.423690 (E_RNA)
where:
Base-Base interactions energy: -433.515
where: short stacking energy: -188.987
Base-Backbone interact. energy: -1.339
local terms energy: -210.569456
where:
bonds (distance) C4'-P energy: -51.402
bonds (distance) P-C4' energy: -42.020
flat angles C4'-P-C4' energy: -48.855
flat angles P-C4'-P energy: -28.218
tors. eta vs tors. theta energy: -40.075
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: 8
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -610.575287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.575287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.575287 (E_RNA)
where:
Base-Base interactions energy: -406.809
where: short stacking energy: -177.773
Base-Backbone interact. energy: -0.114
local terms energy: -203.652080
where:
bonds (distance) C4'-P energy: -42.075
bonds (distance) P-C4' energy: -47.596
flat angles C4'-P-C4' energy: -48.292
flat angles P-C4'-P energy: -28.735
tors. eta vs tors. theta energy: -36.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -527.624263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.624263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.624263 (E_RNA)
where:
Base-Base interactions energy: -325.980
where: short stacking energy: -141.051
Base-Backbone interact. energy: 0.276
local terms energy: -201.920278
where:
bonds (distance) C4'-P energy: -45.510
bonds (distance) P-C4' energy: -52.003
flat angles C4'-P-C4' energy: -48.239
flat angles P-C4'-P energy: -29.971
tors. eta vs tors. theta energy: -26.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -976.231434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.231434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.231434 (E_RNA)
where:
Base-Base interactions energy: -697.614
where: short stacking energy: -290.170
Base-Backbone interact. energy: -0.001
local terms energy: -278.616040
where:
bonds (distance) C4'-P energy: -51.387
bonds (distance) P-C4' energy: -45.923
flat angles C4'-P-C4' energy: -57.109
flat angles P-C4'-P energy: -43.939
tors. eta vs tors. theta energy: -80.257
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: 1
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -936.950777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.950777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.950777 (E_RNA)
where:
Base-Base interactions energy: -651.969
where: short stacking energy: -277.870
Base-Backbone interact. energy: -1.957
local terms energy: -283.024651
where:
bonds (distance) C4'-P energy: -57.695
bonds (distance) P-C4' energy: -49.203
flat angles C4'-P-C4' energy: -60.935
flat angles P-C4'-P energy: -42.739
tors. eta vs tors. theta energy: -72.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -908.809355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.809355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.809355 (E_RNA)
where:
Base-Base interactions energy: -640.065
where: short stacking energy: -241.100
Base-Backbone interact. energy: 1.012
local terms energy: -269.756770
where:
bonds (distance) C4'-P energy: -57.143
bonds (distance) P-C4' energy: -43.210
flat angles C4'-P-C4' energy: -55.873
flat angles P-C4'-P energy: -42.202
tors. eta vs tors. theta energy: -71.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -877.674203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.674203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.674203 (E_RNA)
where:
Base-Base interactions energy: -611.926
where: short stacking energy: -249.242
Base-Backbone interact. energy: 0.161
local terms energy: -265.910117
where:
bonds (distance) C4'-P energy: -45.365
bonds (distance) P-C4' energy: -52.818
flat angles C4'-P-C4' energy: -60.982
flat angles P-C4'-P energy: -37.461
tors. eta vs tors. theta energy: -69.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -835.445597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.445597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.445597 (E_RNA)
where:
Base-Base interactions energy: -595.580
where: short stacking energy: -234.952
Base-Backbone interact. energy: -1.596
local terms energy: -238.269316
where:
bonds (distance) C4'-P energy: -40.800
bonds (distance) P-C4' energy: -56.535
flat angles C4'-P-C4' energy: -47.310
flat angles P-C4'-P energy: -32.797
tors. eta vs tors. theta energy: -60.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -747.576880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.576880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.576880 (E_RNA)
where:
Base-Base interactions energy: -487.363
where: short stacking energy: -207.422
Base-Backbone interact. energy: -1.485
local terms energy: -258.729613
where:
bonds (distance) C4'-P energy: -49.616
bonds (distance) P-C4' energy: -51.658
flat angles C4'-P-C4' energy: -51.002
flat angles P-C4'-P energy: -37.270
tors. eta vs tors. theta energy: -69.183
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: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -754.331083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.331083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.331083 (E_RNA)
where:
Base-Base interactions energy: -522.751
where: short stacking energy: -208.618
Base-Backbone interact. energy: -2.417
local terms energy: -229.163313
where:
bonds (distance) C4'-P energy: -38.503
bonds (distance) P-C4' energy: -38.869
flat angles C4'-P-C4' energy: -53.308
flat angles P-C4'-P energy: -37.585
tors. eta vs tors. theta energy: -60.899
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: 384
Temperature: 1.250000
Total energy: -654.842162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.842162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.842162 (E_RNA)
where:
Base-Base interactions energy: -433.429
where: short stacking energy: -182.451
Base-Backbone interact. energy: -1.328
local terms energy: -220.084623
where:
bonds (distance) C4'-P energy: -46.138
bonds (distance) P-C4' energy: -56.597
flat angles C4'-P-C4' energy: -44.767
flat angles P-C4'-P energy: -28.055
tors. eta vs tors. theta energy: -44.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -575.961734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.961734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.961734 (E_RNA)
where:
Base-Base interactions energy: -366.183
where: short stacking energy: -161.548
Base-Backbone interact. energy: -1.589
local terms energy: -208.190484
where:
bonds (distance) C4'-P energy: -44.603
bonds (distance) P-C4' energy: -44.274
flat angles C4'-P-C4' energy: -42.679
flat angles P-C4'-P energy: -41.260
tors. eta vs tors. theta energy: -35.374
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: 3
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -498.128532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.128532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.128532 (E_RNA)
where:
Base-Base interactions energy: -325.683
where: short stacking energy: -147.401
Base-Backbone interact. energy: 0.387
local terms energy: -172.833048
where:
bonds (distance) C4'-P energy: -46.853
bonds (distance) P-C4' energy: -43.753
flat angles C4'-P-C4' energy: -41.341
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -22.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -974.166209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.166209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.166209 (E_RNA)
where:
Base-Base interactions energy: -693.077
where: short stacking energy: -277.093
Base-Backbone interact. energy: -0.455
local terms energy: -280.634326
where:
bonds (distance) C4'-P energy: -46.588
bonds (distance) P-C4' energy: -53.421
flat angles C4'-P-C4' energy: -63.658
flat angles P-C4'-P energy: -40.861
tors. eta vs tors. theta energy: -76.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -949.332625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.332625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.332625 (E_RNA)
where:
Base-Base interactions energy: -668.990
where: short stacking energy: -279.329
Base-Backbone interact. energy: -0.454
local terms energy: -279.888673
where:
bonds (distance) C4'-P energy: -51.792
bonds (distance) P-C4' energy: -42.901
flat angles C4'-P-C4' energy: -64.220
flat angles P-C4'-P energy: -36.548
tors. eta vs tors. theta energy: -84.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -900.951043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.951043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.951043 (E_RNA)
where:
Base-Base interactions energy: -632.749
where: short stacking energy: -260.219
Base-Backbone interact. energy: 0.885
local terms energy: -269.087012
where:
bonds (distance) C4'-P energy: -56.364
bonds (distance) P-C4' energy: -54.016
flat angles C4'-P-C4' energy: -53.135
flat angles P-C4'-P energy: -38.812
tors. eta vs tors. theta energy: -66.759
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: 10
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -861.013591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.013591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.013591 (E_RNA)
where:
Base-Base interactions energy: -603.497
where: short stacking energy: -237.137
Base-Backbone interact. energy: 0.895
local terms energy: -258.411875
where:
bonds (distance) C4'-P energy: -45.554
bonds (distance) P-C4' energy: -54.376
flat angles C4'-P-C4' energy: -54.495
flat angles P-C4'-P energy: -37.464
tors. eta vs tors. theta energy: -66.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -837.036514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.036514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.036514 (E_RNA)
where:
Base-Base interactions energy: -591.314
where: short stacking energy: -249.913
Base-Backbone interact. energy: -0.685
local terms energy: -245.037716
where:
bonds (distance) C4'-P energy: -54.985
bonds (distance) P-C4' energy: -44.311
flat angles C4'-P-C4' energy: -48.359
flat angles P-C4'-P energy: -26.122
tors. eta vs tors. theta energy: -71.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -769.653461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.653461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.653461 (E_RNA)
where:
Base-Base interactions energy: -532.956
where: short stacking energy: -219.797
Base-Backbone interact. energy: -1.091
local terms energy: -235.606916
where:
bonds (distance) C4'-P energy: -42.044
bonds (distance) P-C4' energy: -45.446
flat angles C4'-P-C4' energy: -52.985
flat angles P-C4'-P energy: -33.434
tors. eta vs tors. theta energy: -61.697
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: 2
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -741.141030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.141030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.141030 (E_RNA)
where:
Base-Base interactions energy: -507.381
where: short stacking energy: -205.743
Base-Backbone interact. energy: -0.705
local terms energy: -233.055022
where:
bonds (distance) C4'-P energy: -43.677
bonds (distance) P-C4' energy: -56.249
flat angles C4'-P-C4' energy: -36.602
flat angles P-C4'-P energy: -38.613
tors. eta vs tors. theta energy: -57.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -696.618086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.618086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.618086 (E_RNA)
where:
Base-Base interactions energy: -488.381
where: short stacking energy: -195.216
Base-Backbone interact. energy: -1.811
local terms energy: -206.425787
where:
bonds (distance) C4'-P energy: -35.887
bonds (distance) P-C4' energy: -49.146
flat angles C4'-P-C4' energy: -42.043
flat angles P-C4'-P energy: -27.650
tors. eta vs tors. theta energy: -51.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -569.110180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.110180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.110180 (E_RNA)
where:
Base-Base interactions energy: -376.267
where: short stacking energy: -160.805
Base-Backbone interact. energy: -1.708
local terms energy: -191.134906
where:
bonds (distance) C4'-P energy: -40.935
bonds (distance) P-C4' energy: -37.330
flat angles C4'-P-C4' energy: -55.417
flat angles P-C4'-P energy: -28.162
tors. eta vs tors. theta energy: -29.291
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: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -541.492573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.492573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.492573 (E_RNA)
where:
Base-Base interactions energy: -360.158
where: short stacking energy: -152.760
Base-Backbone interact. energy: 1.402
local terms energy: -182.737037
where:
bonds (distance) C4'-P energy: -28.652
bonds (distance) P-C4' energy: -38.723
flat angles C4'-P-C4' energy: -47.272
flat angles P-C4'-P energy: -30.968
tors. eta vs tors. theta energy: -37.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -987.203932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.203932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.203932 (E_RNA)
where:
Base-Base interactions energy: -688.352
where: short stacking energy: -285.488
Base-Backbone interact. energy: -1.894
local terms energy: -296.957947
where:
bonds (distance) C4'-P energy: -49.596
bonds (distance) P-C4' energy: -53.285
flat angles C4'-P-C4' energy: -60.514
flat angles P-C4'-P energy: -47.011
tors. eta vs tors. theta energy: -86.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -956.532210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.532210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.532210 (E_RNA)
where:
Base-Base interactions energy: -667.567
where: short stacking energy: -270.697
Base-Backbone interact. energy: -1.479
local terms energy: -287.485845
where:
bonds (distance) C4'-P energy: -58.719
bonds (distance) P-C4' energy: -55.407
flat angles C4'-P-C4' energy: -58.023
flat angles P-C4'-P energy: -37.366
tors. eta vs tors. theta energy: -77.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -904.975041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.975041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.975041 (E_RNA)
where:
Base-Base interactions energy: -638.278
where: short stacking energy: -253.167
Base-Backbone interact. energy: -2.561
local terms energy: -264.136874
where:
bonds (distance) C4'-P energy: -55.642
bonds (distance) P-C4' energy: -52.307
flat angles C4'-P-C4' energy: -48.201
flat angles P-C4'-P energy: -36.446
tors. eta vs tors. theta energy: -71.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -880.886361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.886361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.886361 (E_RNA)
where:
Base-Base interactions energy: -614.169
where: short stacking energy: -252.265
Base-Backbone interact. energy: -1.651
local terms energy: -265.066508
where:
bonds (distance) C4'-P energy: -57.483
bonds (distance) P-C4' energy: -47.461
flat angles C4'-P-C4' energy: -50.991
flat angles P-C4'-P energy: -41.527
tors. eta vs tors. theta energy: -67.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -845.195463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.195463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.195463 (E_RNA)
where:
Base-Base interactions energy: -586.942
where: short stacking energy: -226.979
Base-Backbone interact. energy: -1.585
local terms energy: -256.668562
where:
bonds (distance) C4'-P energy: -56.637
bonds (distance) P-C4' energy: -49.809
flat angles C4'-P-C4' energy: -50.927
flat angles P-C4'-P energy: -33.510
tors. eta vs tors. theta energy: -65.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -764.926219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.926219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.926219 (E_RNA)
where:
Base-Base interactions energy: -538.112
where: short stacking energy: -216.610
Base-Backbone interact. energy: -0.528
local terms energy: -226.285345
where:
bonds (distance) C4'-P energy: -46.454
bonds (distance) P-C4' energy: -51.431
flat angles C4'-P-C4' energy: -51.118
flat angles P-C4'-P energy: -34.033
tors. eta vs tors. theta energy: -43.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -724.331133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.331133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.331133 (E_RNA)
where:
Base-Base interactions energy: -490.042
where: short stacking energy: -222.178
Base-Backbone interact. energy: 1.257
local terms energy: -235.546532
where:
bonds (distance) C4'-P energy: -40.187
bonds (distance) P-C4' energy: -45.592
flat angles C4'-P-C4' energy: -59.688
flat angles P-C4'-P energy: -26.923
tors. eta vs tors. theta energy: -63.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -683.979023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.979023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.979023 (E_RNA)
where:
Base-Base interactions energy: -456.615
where: short stacking energy: -189.260
Base-Backbone interact. energy: -2.089
local terms energy: -225.274885
where:
bonds (distance) C4'-P energy: -56.262
bonds (distance) P-C4' energy: -45.385
flat angles C4'-P-C4' energy: -39.265
flat angles P-C4'-P energy: -33.739
tors. eta vs tors. theta energy: -50.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -613.962139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.962139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.962139 (E_RNA)
where:
Base-Base interactions energy: -416.468
where: short stacking energy: -183.560
Base-Backbone interact. energy: -0.688
local terms energy: -196.806535
where:
bonds (distance) C4'-P energy: -39.416
bonds (distance) P-C4' energy: -43.212
flat angles C4'-P-C4' energy: -51.602
flat angles P-C4'-P energy: -26.810
tors. eta vs tors. theta energy: -35.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -514.816237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.816237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.816237 (E_RNA)
where:
Base-Base interactions energy: -343.981
where: short stacking energy: -152.287
Base-Backbone interact. energy: -0.256
local terms energy: -170.579202
where:
bonds (distance) C4'-P energy: -43.726
bonds (distance) P-C4' energy: -29.744
flat angles C4'-P-C4' energy: -34.880
flat angles P-C4'-P energy: -28.954
tors. eta vs tors. theta energy: -33.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -954.916162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.916162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.916162 (E_RNA)
where:
Base-Base interactions energy: -664.130
where: short stacking energy: -261.095
Base-Backbone interact. energy: -1.562
local terms energy: -289.223385
where:
bonds (distance) C4'-P energy: -59.089
bonds (distance) P-C4' energy: -53.821
flat angles C4'-P-C4' energy: -56.891
flat angles P-C4'-P energy: -43.665
tors. eta vs tors. theta energy: -75.756
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: 387
Temperature: 0.950000
Total energy: -923.164785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.164785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.164785 (E_RNA)
where:
Base-Base interactions energy: -644.901
where: short stacking energy: -271.642
Base-Backbone interact. energy: -0.781
local terms energy: -277.482287
where:
bonds (distance) C4'-P energy: -56.202
bonds (distance) P-C4' energy: -46.365
flat angles C4'-P-C4' energy: -61.549
flat angles P-C4'-P energy: -38.160
tors. eta vs tors. theta energy: -75.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -902.242929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.242929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.242929 (E_RNA)
where:
Base-Base interactions energy: -642.272
where: short stacking energy: -251.971
Base-Backbone interact. energy: 0.409
local terms energy: -260.379960
where:
bonds (distance) C4'-P energy: -51.273
bonds (distance) P-C4' energy: -46.138
flat angles C4'-P-C4' energy: -51.573
flat angles P-C4'-P energy: -41.618
tors. eta vs tors. theta energy: -69.778
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: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -887.479943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.479943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.479943 (E_RNA)
where:
Base-Base interactions energy: -622.951
where: short stacking energy: -250.401
Base-Backbone interact. energy: -2.311
local terms energy: -262.218665
where:
bonds (distance) C4'-P energy: -52.905
bonds (distance) P-C4' energy: -37.183
flat angles C4'-P-C4' energy: -59.057
flat angles P-C4'-P energy: -43.145
tors. eta vs tors. theta energy: -69.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -857.120921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.120921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.120921 (E_RNA)
where:
Base-Base interactions energy: -595.657
where: short stacking energy: -256.872
Base-Backbone interact. energy: -0.160
local terms energy: -261.303161
where:
bonds (distance) C4'-P energy: -42.859
bonds (distance) P-C4' energy: -56.604
flat angles C4'-P-C4' energy: -57.229
flat angles P-C4'-P energy: -41.979
tors. eta vs tors. theta energy: -62.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -748.533991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.533991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.533991 (E_RNA)
where:
Base-Base interactions energy: -527.579
where: short stacking energy: -223.299
Base-Backbone interact. energy: -0.374
local terms energy: -220.580782
where:
bonds (distance) C4'-P energy: -40.223
bonds (distance) P-C4' energy: -41.791
flat angles C4'-P-C4' energy: -49.589
flat angles P-C4'-P energy: -27.066
tors. eta vs tors. theta energy: -61.912
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: 7, replica: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -742.515520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.515520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.515520 (E_RNA)
where:
Base-Base interactions energy: -497.333
where: short stacking energy: -210.439
Base-Backbone interact. energy: -1.372
local terms energy: -243.809889
where:
bonds (distance) C4'-P energy: -49.263
bonds (distance) P-C4' energy: -48.363
flat angles C4'-P-C4' energy: -54.781
flat angles P-C4'-P energy: -35.538
tors. eta vs tors. theta energy: -55.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -654.702254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.702254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.702254 (E_RNA)
where:
Base-Base interactions energy: -445.614
where: short stacking energy: -171.753
Base-Backbone interact. energy: -2.204
local terms energy: -206.884046
where:
bonds (distance) C4'-P energy: -50.946
bonds (distance) P-C4' energy: -34.273
flat angles C4'-P-C4' energy: -44.037
flat angles P-C4'-P energy: -39.332
tors. eta vs tors. theta energy: -38.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -600.121091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.121091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.121091 (E_RNA)
where:
Base-Base interactions energy: -404.380
where: short stacking energy: -163.039
Base-Backbone interact. energy: 3.628
local terms energy: -199.369104
where:
bonds (distance) C4'-P energy: -29.087
bonds (distance) P-C4' energy: -45.031
flat angles C4'-P-C4' energy: -47.886
flat angles P-C4'-P energy: -38.260
tors. eta vs tors. theta energy: -39.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -452.437283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.437283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.437283 (E_RNA)
where:
Base-Base interactions energy: -275.216
where: short stacking energy: -128.134
Base-Backbone interact. energy: 1.438
local terms energy: -178.659653
where:
bonds (distance) C4'-P energy: -42.096
bonds (distance) P-C4' energy: -51.353
flat angles C4'-P-C4' energy: -39.844
flat angles P-C4'-P energy: -30.045
tors. eta vs tors. theta energy: -15.322
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: 9
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -962.646717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.646717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.646717 (E_RNA)
where:
Base-Base interactions energy: -676.704
where: short stacking energy: -277.595
Base-Backbone interact. energy: 0.537
local terms energy: -286.479564
where:
bonds (distance) C4'-P energy: -54.348
bonds (distance) P-C4' energy: -51.642
flat angles C4'-P-C4' energy: -64.541
flat angles P-C4'-P energy: -37.841
tors. eta vs tors. theta energy: -78.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -938.174323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.174323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.174323 (E_RNA)
where:
Base-Base interactions energy: -657.482
where: short stacking energy: -281.199
Base-Backbone interact. energy: -2.122
local terms energy: -278.569949
where:
bonds (distance) C4'-P energy: -48.138
bonds (distance) P-C4' energy: -48.218
flat angles C4'-P-C4' energy: -58.850
flat angles P-C4'-P energy: -44.173
tors. eta vs tors. theta energy: -79.191
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: 10
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -871.450843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.450843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.450843 (E_RNA)
where:
Base-Base interactions energy: -626.496
where: short stacking energy: -255.204
Base-Backbone interact. energy: -0.218
local terms energy: -244.735867
where:
bonds (distance) C4'-P energy: -51.287
bonds (distance) P-C4' energy: -39.483
flat angles C4'-P-C4' energy: -48.481
flat angles P-C4'-P energy: -43.397
tors. eta vs tors. theta energy: -62.088
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: 388
Temperature: 1.050000
Total energy: -868.332470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.332470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.332470 (E_RNA)
where:
Base-Base interactions energy: -619.203
where: short stacking energy: -238.233
Base-Backbone interact. energy: 0.379
local terms energy: -249.508571
where:
bonds (distance) C4'-P energy: -43.780
bonds (distance) P-C4' energy: -51.320
flat angles C4'-P-C4' energy: -47.661
flat angles P-C4'-P energy: -37.110
tors. eta vs tors. theta energy: -69.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -857.647937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.647937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.647937 (E_RNA)
where:
Base-Base interactions energy: -599.030
where: short stacking energy: -239.629
Base-Backbone interact. energy: -1.617
local terms energy: -257.000746
where:
bonds (distance) C4'-P energy: -43.643
bonds (distance) P-C4' energy: -50.095
flat angles C4'-P-C4' energy: -61.136
flat angles P-C4'-P energy: -40.076
tors. eta vs tors. theta energy: -62.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -774.793035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.793035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.793035 (E_RNA)
where:
Base-Base interactions energy: -536.040
where: short stacking energy: -203.953
Base-Backbone interact. energy: 0.460
local terms energy: -239.212730
where:
bonds (distance) C4'-P energy: -38.663
bonds (distance) P-C4' energy: -52.075
flat angles C4'-P-C4' energy: -57.933
flat angles P-C4'-P energy: -34.276
tors. eta vs tors. theta energy: -56.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -736.579818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.579818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.579818 (E_RNA)
where:
Base-Base interactions energy: -517.197
where: short stacking energy: -207.818
Base-Backbone interact. energy: 0.882
local terms energy: -220.265420
where:
bonds (distance) C4'-P energy: -46.194
bonds (distance) P-C4' energy: -49.921
flat angles C4'-P-C4' energy: -53.045
flat angles P-C4'-P energy: -29.854
tors. eta vs tors. theta energy: -41.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -688.554483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.554483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.554483 (E_RNA)
where:
Base-Base interactions energy: -463.287
where: short stacking energy: -184.956
Base-Backbone interact. energy: 3.006
local terms energy: -228.273107
where:
bonds (distance) C4'-P energy: -47.896
bonds (distance) P-C4' energy: -47.198
flat angles C4'-P-C4' energy: -49.209
flat angles P-C4'-P energy: -32.311
tors. eta vs tors. theta energy: -51.659
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: 8
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -553.854961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.854961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.854961 (E_RNA)
where:
Base-Base interactions energy: -351.655
where: short stacking energy: -148.300
Base-Backbone interact. energy: -1.239
local terms energy: -200.961219
where:
bonds (distance) C4'-P energy: -54.106
bonds (distance) P-C4' energy: -44.687
flat angles C4'-P-C4' energy: -40.949
flat angles P-C4'-P energy: -32.178
tors. eta vs tors. theta energy: -29.042
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: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -501.247102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.247102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.247102 (E_RNA)
where:
Base-Base interactions energy: -295.983
where: short stacking energy: -140.311
Base-Backbone interact. energy: 1.003
local terms energy: -206.266811
where:
bonds (distance) C4'-P energy: -44.776
bonds (distance) P-C4' energy: -60.501
flat angles C4'-P-C4' energy: -43.711
flat angles P-C4'-P energy: -32.204
tors. eta vs tors. theta energy: -25.074
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: 9
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -972.513202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.513202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.513202 (E_RNA)
where:
Base-Base interactions energy: -684.943
where: short stacking energy: -275.741
Base-Backbone interact. energy: -4.449
local terms energy: -283.120678
where:
bonds (distance) C4'-P energy: -50.724
bonds (distance) P-C4' energy: -58.101
flat angles C4'-P-C4' energy: -53.654
flat angles P-C4'-P energy: -42.954
tors. eta vs tors. theta energy: -77.688
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: 1
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -955.623873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.623873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.623873 (E_RNA)
where:
Base-Base interactions energy: -667.007
where: short stacking energy: -281.029
Base-Backbone interact. energy: -0.123
local terms energy: -288.493828
where:
bonds (distance) C4'-P energy: -60.965
bonds (distance) P-C4' energy: -54.854
flat angles C4'-P-C4' energy: -53.453
flat angles P-C4'-P energy: -38.888
tors. eta vs tors. theta energy: -80.334
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: 10
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -897.200921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.200921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.200921 (E_RNA)
where:
Base-Base interactions energy: -632.816
where: short stacking energy: -261.037
Base-Backbone interact. energy: -2.195
local terms energy: -262.190059
where:
bonds (distance) C4'-P energy: -52.912
bonds (distance) P-C4' energy: -47.510
flat angles C4'-P-C4' energy: -53.064
flat angles P-C4'-P energy: -38.991
tors. eta vs tors. theta energy: -69.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -849.520379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.520379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.520379 (E_RNA)
where:
Base-Base interactions energy: -599.121
where: short stacking energy: -231.945
Base-Backbone interact. energy: -2.543
local terms energy: -247.855751
where:
bonds (distance) C4'-P energy: -51.679
bonds (distance) P-C4' energy: -50.466
flat angles C4'-P-C4' energy: -51.467
flat angles P-C4'-P energy: -36.114
tors. eta vs tors. theta energy: -58.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -842.283664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.283664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.283664 (E_RNA)
where:
Base-Base interactions energy: -596.744
where: short stacking energy: -246.449
Base-Backbone interact. energy: -2.148
local terms energy: -243.391817
where:
bonds (distance) C4'-P energy: -36.599
bonds (distance) P-C4' energy: -51.283
flat angles C4'-P-C4' energy: -52.090
flat angles P-C4'-P energy: -37.652
tors. eta vs tors. theta energy: -65.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -788.069786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.069786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.069786 (E_RNA)
where:
Base-Base interactions energy: -536.166
where: short stacking energy: -213.543
Base-Backbone interact. energy: -1.586
local terms energy: -250.317649
where:
bonds (distance) C4'-P energy: -43.569
bonds (distance) P-C4' energy: -54.224
flat angles C4'-P-C4' energy: -56.503
flat angles P-C4'-P energy: -29.958
tors. eta vs tors. theta energy: -66.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -731.638059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.638059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.638059 (E_RNA)
where:
Base-Base interactions energy: -511.621
where: short stacking energy: -199.929
Base-Backbone interact. energy: -2.094
local terms energy: -217.923816
where:
bonds (distance) C4'-P energy: -32.749
bonds (distance) P-C4' energy: -51.114
flat angles C4'-P-C4' energy: -52.770
flat angles P-C4'-P energy: -29.892
tors. eta vs tors. theta energy: -51.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -663.749845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.749845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.749845 (E_RNA)
where:
Base-Base interactions energy: -456.805
where: short stacking energy: -188.172
Base-Backbone interact. energy: -0.777
local terms energy: -206.168167
where:
bonds (distance) C4'-P energy: -40.343
bonds (distance) P-C4' energy: -45.953
flat angles C4'-P-C4' energy: -43.790
flat angles P-C4'-P energy: -29.918
tors. eta vs tors. theta energy: -46.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -587.770463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.770463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.770463 (E_RNA)
where:
Base-Base interactions energy: -392.002
where: short stacking energy: -178.341
Base-Backbone interact. energy: -0.841
local terms energy: -194.927548
where:
bonds (distance) C4'-P energy: -41.554
bonds (distance) P-C4' energy: -36.460
flat angles C4'-P-C4' energy: -38.198
flat angles P-C4'-P energy: -38.585
tors. eta vs tors. theta energy: -40.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -534.172345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.172345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.172345 (E_RNA)
where:
Base-Base interactions energy: -331.688
where: short stacking energy: -155.565
Base-Backbone interact. energy: -0.081
local terms energy: -202.402582
where:
bonds (distance) C4'-P energy: -41.078
bonds (distance) P-C4' energy: -48.361
flat angles C4'-P-C4' energy: -47.470
flat angles P-C4'-P energy: -31.226
tors. eta vs tors. theta energy: -34.268
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: 9
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -959.891739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.891739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.891739 (E_RNA)
where:
Base-Base interactions energy: -663.680
where: short stacking energy: -249.496
Base-Backbone interact. energy: 0.098
local terms energy: -296.310232
where:
bonds (distance) C4'-P energy: -64.228
bonds (distance) P-C4' energy: -53.350
flat angles C4'-P-C4' energy: -58.980
flat angles P-C4'-P energy: -40.066
tors. eta vs tors. theta energy: -79.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -951.973788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.973788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.973788 (E_RNA)
where:
Base-Base interactions energy: -657.840
where: short stacking energy: -263.627
Base-Backbone interact. energy: -1.274
local terms energy: -292.859948
where:
bonds (distance) C4'-P energy: -51.670
bonds (distance) P-C4' energy: -59.219
flat angles C4'-P-C4' energy: -56.040
flat angles P-C4'-P energy: -45.591
tors. eta vs tors. theta energy: -80.341
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: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -894.883801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.883801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.883801 (E_RNA)
where:
Base-Base interactions energy: -632.540
where: short stacking energy: -255.556
Base-Backbone interact. energy: 0.101
local terms energy: -262.444239
where:
bonds (distance) C4'-P energy: -58.252
bonds (distance) P-C4' energy: -53.617
flat angles C4'-P-C4' energy: -48.518
flat angles P-C4'-P energy: -32.532
tors. eta vs tors. theta energy: -69.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -903.831037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.831037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.831037 (E_RNA)
where:
Base-Base interactions energy: -632.421
where: short stacking energy: -251.216
Base-Backbone interact. energy: -0.561
local terms energy: -270.848780
where:
bonds (distance) C4'-P energy: -57.197
bonds (distance) P-C4' energy: -53.153
flat angles C4'-P-C4' energy: -57.457
flat angles P-C4'-P energy: -30.627
tors. eta vs tors. theta energy: -72.415
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: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -840.402492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.402492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.402492 (E_RNA)
where:
Base-Base interactions energy: -602.875
where: short stacking energy: -244.624
Base-Backbone interact. energy: 0.055
local terms energy: -237.582215
where:
bonds (distance) C4'-P energy: -32.804
bonds (distance) P-C4' energy: -46.828
flat angles C4'-P-C4' energy: -53.011
flat angles P-C4'-P energy: -44.880
tors. eta vs tors. theta energy: -60.059
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: 6, replica: 7
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -736.275464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.275464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.275464 (E_RNA)
where:
Base-Base interactions energy: -509.396
where: short stacking energy: -214.269
Base-Backbone interact. energy: -0.635
local terms energy: -226.245100
where:
bonds (distance) C4'-P energy: -45.972
bonds (distance) P-C4' energy: -45.634
flat angles C4'-P-C4' energy: -49.896
flat angles P-C4'-P energy: -28.014
tors. eta vs tors. theta energy: -56.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -739.206686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.206686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.206686 (E_RNA)
where:
Base-Base interactions energy: -508.094
where: short stacking energy: -203.612
Base-Backbone interact. energy: -1.552
local terms energy: -229.560687
where:
bonds (distance) C4'-P energy: -42.818
bonds (distance) P-C4' energy: -49.845
flat angles C4'-P-C4' energy: -58.529
flat angles P-C4'-P energy: -26.687
tors. eta vs tors. theta energy: -51.681
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: 8, replica: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -640.009013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.009013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.009013 (E_RNA)
where:
Base-Base interactions energy: -420.794
where: short stacking energy: -167.083
Base-Backbone interact. energy: -1.217
local terms energy: -217.997666
where:
bonds (distance) C4'-P energy: -41.039
bonds (distance) P-C4' energy: -49.824
flat angles C4'-P-C4' energy: -48.952
flat angles P-C4'-P energy: -37.052
tors. eta vs tors. theta energy: -41.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -559.548557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.548557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.548557 (E_RNA)
where:
Base-Base interactions energy: -383.872
where: short stacking energy: -160.791
Base-Backbone interact. energy: 0.000
local terms energy: -175.676766
where:
bonds (distance) C4'-P energy: -34.603
bonds (distance) P-C4' energy: -51.672
flat angles C4'-P-C4' energy: -36.579
flat angles P-C4'-P energy: -23.509
tors. eta vs tors. theta energy: -29.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -511.362112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.362112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.362112 (E_RNA)
where:
Base-Base interactions energy: -322.616
where: short stacking energy: -130.052
Base-Backbone interact. energy: 2.217
local terms energy: -190.963776
where:
bonds (distance) C4'-P energy: -44.845
bonds (distance) P-C4' energy: -42.648
flat angles C4'-P-C4' energy: -52.706
flat angles P-C4'-P energy: -28.823
tors. eta vs tors. theta energy: -21.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -972.680870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.680870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.680870 (E_RNA)
where:
Base-Base interactions energy: -682.030
where: short stacking energy: -276.827
Base-Backbone interact. energy: -0.294
local terms energy: -290.357283
where:
bonds (distance) C4'-P energy: -59.109
bonds (distance) P-C4' energy: -61.776
flat angles C4'-P-C4' energy: -55.195
flat angles P-C4'-P energy: -39.772
tors. eta vs tors. theta energy: -74.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -969.831193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.831193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.831193 (E_RNA)
where:
Base-Base interactions energy: -680.529
where: short stacking energy: -277.937
Base-Backbone interact. energy: -1.051
local terms energy: -288.250528
where:
bonds (distance) C4'-P energy: -56.135
bonds (distance) P-C4' energy: -53.316
flat angles C4'-P-C4' energy: -59.596
flat angles P-C4'-P energy: -39.490
tors. eta vs tors. theta energy: -79.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -886.956252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.956252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.956252 (E_RNA)
where:
Base-Base interactions energy: -618.321
where: short stacking energy: -249.949
Base-Backbone interact. energy: -0.940
local terms energy: -267.695501
where:
bonds (distance) C4'-P energy: -56.446
bonds (distance) P-C4' energy: -59.274
flat angles C4'-P-C4' energy: -47.651
flat angles P-C4'-P energy: -39.879
tors. eta vs tors. theta energy: -64.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -902.433709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.433709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.433709 (E_RNA)
where:
Base-Base interactions energy: -641.494
where: short stacking energy: -258.851
Base-Backbone interact. energy: -1.859
local terms energy: -259.080238
where:
bonds (distance) C4'-P energy: -47.429
bonds (distance) P-C4' energy: -47.230
flat angles C4'-P-C4' energy: -55.080
flat angles P-C4'-P energy: -42.322
tors. eta vs tors. theta energy: -67.020
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: 10
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -848.820247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.820247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.820247 (E_RNA)
where:
Base-Base interactions energy: -604.097
where: short stacking energy: -232.889
Base-Backbone interact. energy: -1.601
local terms energy: -243.122623
where:
bonds (distance) C4'-P energy: -50.695
bonds (distance) P-C4' energy: -48.561
flat angles C4'-P-C4' energy: -60.223
flat angles P-C4'-P energy: -27.137
tors. eta vs tors. theta energy: -56.506
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: 6
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -744.039321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.039321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.039321 (E_RNA)
where:
Base-Base interactions energy: -532.413
where: short stacking energy: -209.039
Base-Backbone interact. energy: -0.489
local terms energy: -211.137921
where:
bonds (distance) C4'-P energy: -45.267
bonds (distance) P-C4' energy: -38.849
flat angles C4'-P-C4' energy: -48.837
flat angles P-C4'-P energy: -30.935
tors. eta vs tors. theta energy: -47.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -727.160107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.160107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.160107 (E_RNA)
where:
Base-Base interactions energy: -508.780
where: short stacking energy: -199.000
Base-Backbone interact. energy: -1.715
local terms energy: -216.664325
where:
bonds (distance) C4'-P energy: -46.132
bonds (distance) P-C4' energy: -39.907
flat angles C4'-P-C4' energy: -41.435
flat angles P-C4'-P energy: -35.365
tors. eta vs tors. theta energy: -53.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -622.169460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.169460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.169460 (E_RNA)
where:
Base-Base interactions energy: -416.953
where: short stacking energy: -165.594
Base-Backbone interact. energy: -1.353
local terms energy: -203.863575
where:
bonds (distance) C4'-P energy: -36.570
bonds (distance) P-C4' energy: -49.771
flat angles C4'-P-C4' energy: -41.048
flat angles P-C4'-P energy: -36.432
tors. eta vs tors. theta energy: -40.043
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: 2
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -603.089604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.089604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.089604 (E_RNA)
where:
Base-Base interactions energy: -402.344
where: short stacking energy: -155.632
Base-Backbone interact. energy: 1.456
local terms energy: -202.201938
where:
bonds (distance) C4'-P energy: -54.202
bonds (distance) P-C4' energy: -44.349
flat angles C4'-P-C4' energy: -36.623
flat angles P-C4'-P energy: -35.030
tors. eta vs tors. theta energy: -31.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -458.148298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.148298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.148298 (E_RNA)
where:
Base-Base interactions energy: -296.645
where: short stacking energy: -130.129
Base-Backbone interact. energy: 1.736
local terms energy: -163.239587
where:
bonds (distance) C4'-P energy: -31.846
bonds (distance) P-C4' energy: -31.228
flat angles C4'-P-C4' energy: -40.277
flat angles P-C4'-P energy: -29.917
tors. eta vs tors. theta energy: -29.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -963.904378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.904378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.904378 (E_RNA)
where:
Base-Base interactions energy: -671.443
where: short stacking energy: -267.080
Base-Backbone interact. energy: 0.373
local terms energy: -292.834225
where:
bonds (distance) C4'-P energy: -56.088
bonds (distance) P-C4' energy: -53.456
flat angles C4'-P-C4' energy: -63.104
flat angles P-C4'-P energy: -47.131
tors. eta vs tors. theta energy: -73.055
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: 1
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -961.884269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.884269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.884269 (E_RNA)
where:
Base-Base interactions energy: -670.114
where: short stacking energy: -273.103
Base-Backbone interact. energy: -1.291
local terms energy: -290.478444
where:
bonds (distance) C4'-P energy: -57.042
bonds (distance) P-C4' energy: -51.450
flat angles C4'-P-C4' energy: -58.207
flat angles P-C4'-P energy: -42.517
tors. eta vs tors. theta energy: -81.262
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: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -880.009608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.009608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.009608 (E_RNA)
where:
Base-Base interactions energy: -608.289
where: short stacking energy: -237.281
Base-Backbone interact. energy: -2.750
local terms energy: -268.970485
where:
bonds (distance) C4'-P energy: -52.695
bonds (distance) P-C4' energy: -58.727
flat angles C4'-P-C4' energy: -56.608
flat angles P-C4'-P energy: -39.842
tors. eta vs tors. theta energy: -61.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -864.048358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.048358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.048358 (E_RNA)
where:
Base-Base interactions energy: -604.624
where: short stacking energy: -254.086
Base-Backbone interact. energy: -1.246
local terms energy: -258.178081
where:
bonds (distance) C4'-P energy: -40.462
bonds (distance) P-C4' energy: -52.694
flat angles C4'-P-C4' energy: -56.232
flat angles P-C4'-P energy: -36.593
tors. eta vs tors. theta energy: -72.198
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: 5, replica: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -760.759952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.759952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.759952 (E_RNA)
where:
Base-Base interactions energy: -525.600
where: short stacking energy: -220.056
Base-Backbone interact. energy: 2.197
local terms energy: -237.357501
where:
bonds (distance) C4'-P energy: -48.977
bonds (distance) P-C4' energy: -48.896
flat angles C4'-P-C4' energy: -57.117
flat angles P-C4'-P energy: -33.566
tors. eta vs tors. theta energy: -48.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -833.742818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.742818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.742818 (E_RNA)
where:
Base-Base interactions energy: -602.996
where: short stacking energy: -250.652
Base-Backbone interact. energy: 1.494
local terms energy: -232.240617
where:
bonds (distance) C4'-P energy: -39.005
bonds (distance) P-C4' energy: -47.517
flat angles C4'-P-C4' energy: -46.477
flat angles P-C4'-P energy: -34.712
tors. eta vs tors. theta energy: -64.530
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: 7
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -718.068532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.068532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.068532 (E_RNA)
where:
Base-Base interactions energy: -502.038
where: short stacking energy: -206.794
Base-Backbone interact. energy: -0.945
local terms energy: -215.085083
where:
bonds (distance) C4'-P energy: -39.613
bonds (distance) P-C4' energy: -53.790
flat angles C4'-P-C4' energy: -43.308
flat angles P-C4'-P energy: -25.073
tors. eta vs tors. theta energy: -53.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -633.215732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.215732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.215732 (E_RNA)
where:
Base-Base interactions energy: -420.905
where: short stacking energy: -171.870
Base-Backbone interact. energy: 1.796
local terms energy: -214.106788
where:
bonds (distance) C4'-P energy: -32.991
bonds (distance) P-C4' energy: -56.843
flat angles C4'-P-C4' energy: -49.886
flat angles P-C4'-P energy: -34.078
tors. eta vs tors. theta energy: -40.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -639.874049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.874049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.874049 (E_RNA)
where:
Base-Base interactions energy: -426.001
where: short stacking energy: -168.324
Base-Backbone interact. energy: -3.216
local terms energy: -210.656702
where:
bonds (distance) C4'-P energy: -47.654
bonds (distance) P-C4' energy: -47.013
flat angles C4'-P-C4' energy: -43.835
flat angles P-C4'-P energy: -30.366
tors. eta vs tors. theta energy: -41.788
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: 3
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -490.642655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.642655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.642655 (E_RNA)
where:
Base-Base interactions energy: -298.434
where: short stacking energy: -137.270
Base-Backbone interact. energy: -0.290
local terms energy: -191.918982
where:
bonds (distance) C4'-P energy: -49.402
bonds (distance) P-C4' energy: -42.920
flat angles C4'-P-C4' energy: -50.827
flat angles P-C4'-P energy: -26.519
tors. eta vs tors. theta energy: -22.251
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: 9
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -973.624877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.624877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.624877 (E_RNA)
where:
Base-Base interactions energy: -685.753
where: short stacking energy: -283.741
Base-Backbone interact. energy: -2.490
local terms energy: -285.381704
where:
bonds (distance) C4'-P energy: -54.335
bonds (distance) P-C4' energy: -57.360
flat angles C4'-P-C4' energy: -53.057
flat angles P-C4'-P energy: -43.549
tors. eta vs tors. theta energy: -77.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -960.800915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.800915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.800915 (E_RNA)
where:
Base-Base interactions energy: -666.214
where: short stacking energy: -276.366
Base-Backbone interact. energy: -0.632
local terms energy: -293.954864
where:
bonds (distance) C4'-P energy: -53.391
bonds (distance) P-C4' energy: -62.304
flat angles C4'-P-C4' energy: -55.935
flat angles P-C4'-P energy: -41.181
tors. eta vs tors. theta energy: -81.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -882.899424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.899424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.899424 (E_RNA)
where:
Base-Base interactions energy: -615.138
where: short stacking energy: -245.882
Base-Backbone interact. energy: 0.784
local terms energy: -268.545559
where:
bonds (distance) C4'-P energy: -48.726
bonds (distance) P-C4' energy: -54.557
flat angles C4'-P-C4' energy: -56.502
flat angles P-C4'-P energy: -43.130
tors. eta vs tors. theta energy: -65.631
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: 4, replica: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -903.088784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.088784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.088784 (E_RNA)
where:
Base-Base interactions energy: -632.442
where: short stacking energy: -259.644
Base-Backbone interact. energy: -0.190
local terms energy: -270.457506
where:
bonds (distance) C4'-P energy: -52.375
bonds (distance) P-C4' energy: -47.732
flat angles C4'-P-C4' energy: -59.466
flat angles P-C4'-P energy: -35.650
tors. eta vs tors. theta energy: -75.236
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: 393
Temperature: 1.100000
Total energy: -801.341955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.341955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.341955 (E_RNA)
where:
Base-Base interactions energy: -572.007
where: short stacking energy: -238.589
Base-Backbone interact. energy: 3.304
local terms energy: -232.638596
where:
bonds (distance) C4'-P energy: -34.358
bonds (distance) P-C4' energy: -45.236
flat angles C4'-P-C4' energy: -59.022
flat angles P-C4'-P energy: -29.818
tors. eta vs tors. theta energy: -64.205
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: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -847.919296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.919296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.919296 (E_RNA)
where:
Base-Base interactions energy: -599.048
where: short stacking energy: -250.805
Base-Backbone interact. energy: -0.874
local terms energy: -247.997704
where:
bonds (distance) C4'-P energy: -38.823
bonds (distance) P-C4' energy: -48.611
flat angles C4'-P-C4' energy: -48.652
flat angles P-C4'-P energy: -40.746
tors. eta vs tors. theta energy: -71.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -724.092744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.092744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.092744 (E_RNA)
where:
Base-Base interactions energy: -500.310
where: short stacking energy: -209.912
Base-Backbone interact. energy: -1.860
local terms energy: -221.922483
where:
bonds (distance) C4'-P energy: -46.113
bonds (distance) P-C4' energy: -40.399
flat angles C4'-P-C4' energy: -45.205
flat angles P-C4'-P energy: -40.051
tors. eta vs tors. theta energy: -50.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -622.032737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.032737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.032737 (E_RNA)
where:
Base-Base interactions energy: -426.985
where: short stacking energy: -183.231
Base-Backbone interact. energy: 2.511
local terms energy: -197.558944
where:
bonds (distance) C4'-P energy: -36.839
bonds (distance) P-C4' energy: -40.159
flat angles C4'-P-C4' energy: -44.964
flat angles P-C4'-P energy: -34.327
tors. eta vs tors. theta energy: -41.271
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: 9, replica: 2
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -665.424800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.424800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.424800 (E_RNA)
where:
Base-Base interactions energy: -457.284
where: short stacking energy: -183.155
Base-Backbone interact. energy: -0.290
local terms energy: -207.851025
where:
bonds (distance) C4'-P energy: -45.659
bonds (distance) P-C4' energy: -42.718
flat angles C4'-P-C4' energy: -44.339
flat angles P-C4'-P energy: -23.320
tors. eta vs tors. theta energy: -51.815
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: 3
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -501.111107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.111107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.111107 (E_RNA)
where:
Base-Base interactions energy: -322.591
where: short stacking energy: -156.766
Base-Backbone interact. energy: 4.510
local terms energy: -183.030237
where:
bonds (distance) C4'-P energy: -38.598
bonds (distance) P-C4' energy: -51.098
flat angles C4'-P-C4' energy: -41.198
flat angles P-C4'-P energy: -32.204
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -966.752400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.752400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.752400 (E_RNA)
where:
Base-Base interactions energy: -674.598
where: short stacking energy: -288.318
Base-Backbone interact. energy: -0.962
local terms energy: -291.192596
where:
bonds (distance) C4'-P energy: -46.912
bonds (distance) P-C4' energy: -58.465
flat angles C4'-P-C4' energy: -61.990
flat angles P-C4'-P energy: -43.822
tors. eta vs tors. theta energy: -80.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -960.687898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.687898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.687898 (E_RNA)
where:
Base-Base interactions energy: -673.390
where: short stacking energy: -273.606
Base-Backbone interact. energy: 1.901
local terms energy: -289.199293
where:
bonds (distance) C4'-P energy: -46.139
bonds (distance) P-C4' energy: -58.400
flat angles C4'-P-C4' energy: -58.454
flat angles P-C4'-P energy: -46.281
tors. eta vs tors. theta energy: -79.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -910.396203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.396203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.396203 (E_RNA)
where:
Base-Base interactions energy: -637.430
where: short stacking energy: -262.281
Base-Backbone interact. energy: -1.863
local terms energy: -271.103539
where:
bonds (distance) C4'-P energy: -41.550
bonds (distance) P-C4' energy: -54.042
flat angles C4'-P-C4' energy: -61.716
flat angles P-C4'-P energy: -41.905
tors. eta vs tors. theta energy: -71.889
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: 394
Temperature: 1.050000
Total energy: -864.016488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.016488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.016488 (E_RNA)
where:
Base-Base interactions energy: -604.798
where: short stacking energy: -231.292
Base-Backbone interact. energy: -0.639
local terms energy: -258.579067
where:
bonds (distance) C4'-P energy: -45.691
bonds (distance) P-C4' energy: -52.121
flat angles C4'-P-C4' energy: -52.417
flat angles P-C4'-P energy: -41.443
tors. eta vs tors. theta energy: -66.907
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: 10
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -862.555056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.555056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.555056 (E_RNA)
where:
Base-Base interactions energy: -609.184
where: short stacking energy: -235.825
Base-Backbone interact. energy: -0.987
local terms energy: -252.383745
where:
bonds (distance) C4'-P energy: -41.556
bonds (distance) P-C4' energy: -41.809
flat angles C4'-P-C4' energy: -58.586
flat angles P-C4'-P energy: -40.618
tors. eta vs tors. theta energy: -69.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -784.900253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.900253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.900253 (E_RNA)
where:
Base-Base interactions energy: -542.096
where: short stacking energy: -220.172
Base-Backbone interact. energy: -1.239
local terms energy: -241.564687
where:
bonds (distance) C4'-P energy: -55.701
bonds (distance) P-C4' energy: -42.906
flat angles C4'-P-C4' energy: -50.531
flat angles P-C4'-P energy: -36.233
tors. eta vs tors. theta energy: -56.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -714.485894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.485894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.485894 (E_RNA)
where:
Base-Base interactions energy: -496.726
where: short stacking energy: -193.679
Base-Backbone interact. energy: -1.573
local terms energy: -216.186645
where:
bonds (distance) C4'-P energy: -46.024
bonds (distance) P-C4' energy: -48.378
flat angles C4'-P-C4' energy: -49.955
flat angles P-C4'-P energy: -37.442
tors. eta vs tors. theta energy: -34.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -616.286566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.286566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.286566 (E_RNA)
where:
Base-Base interactions energy: -393.041
where: short stacking energy: -176.380
Base-Backbone interact. energy: -0.836
local terms energy: -222.409209
where:
bonds (distance) C4'-P energy: -42.443
bonds (distance) P-C4' energy: -59.555
flat angles C4'-P-C4' energy: -49.509
flat angles P-C4'-P energy: -34.689
tors. eta vs tors. theta energy: -36.213
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: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -687.907187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.907187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.907187 (E_RNA)
where:
Base-Base interactions energy: -484.649
where: short stacking energy: -195.221
Base-Backbone interact. energy: -0.261
local terms energy: -202.997679
where:
bonds (distance) C4'-P energy: -44.686
bonds (distance) P-C4' energy: -36.677
flat angles C4'-P-C4' energy: -40.020
flat angles P-C4'-P energy: -35.079
tors. eta vs tors. theta energy: -46.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -497.130680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.130680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.130680 (E_RNA)
where:
Base-Base interactions energy: -310.356
where: short stacking energy: -133.314
Base-Backbone interact. energy: -1.330
local terms energy: -185.444988
where:
bonds (distance) C4'-P energy: -43.900
bonds (distance) P-C4' energy: -44.536
flat angles C4'-P-C4' energy: -43.875
flat angles P-C4'-P energy: -30.234
tors. eta vs tors. theta energy: -22.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -984.153396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.153396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.153396 (E_RNA)
where:
Base-Base interactions energy: -705.079
where: short stacking energy: -286.967
Base-Backbone interact. energy: -1.333
local terms energy: -277.740920
where:
bonds (distance) C4'-P energy: -46.768
bonds (distance) P-C4' energy: -55.122
flat angles C4'-P-C4' energy: -58.118
flat angles P-C4'-P energy: -36.126
tors. eta vs tors. theta energy: -81.607
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: 2, replica: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -964.460273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.460273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.460273 (E_RNA)
where:
Base-Base interactions energy: -676.670
where: short stacking energy: -274.623
Base-Backbone interact. energy: -1.405
local terms energy: -286.385203
where:
bonds (distance) C4'-P energy: -51.751
bonds (distance) P-C4' energy: -49.563
flat angles C4'-P-C4' energy: -60.559
flat angles P-C4'-P energy: -44.332
tors. eta vs tors. theta energy: -80.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -937.122915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.122915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.122915 (E_RNA)
where:
Base-Base interactions energy: -649.154
where: short stacking energy: -268.280
Base-Backbone interact. energy: -1.497
local terms energy: -286.471083
where:
bonds (distance) C4'-P energy: -47.898
bonds (distance) P-C4' energy: -52.954
flat angles C4'-P-C4' energy: -63.640
flat angles P-C4'-P energy: -43.083
tors. eta vs tors. theta energy: -78.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -874.481755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.481755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.481755 (E_RNA)
where:
Base-Base interactions energy: -613.848
where: short stacking energy: -250.771
Base-Backbone interact. energy: 1.424
local terms energy: -262.057758
where:
bonds (distance) C4'-P energy: -42.762
bonds (distance) P-C4' energy: -49.776
flat angles C4'-P-C4' energy: -57.562
flat angles P-C4'-P energy: -42.849
tors. eta vs tors. theta energy: -69.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -848.134395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.134395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.134395 (E_RNA)
where:
Base-Base interactions energy: -587.012
where: short stacking energy: -232.383
Base-Backbone interact. energy: -1.351
local terms energy: -259.772052
where:
bonds (distance) C4'-P energy: -50.796
bonds (distance) P-C4' energy: -45.352
flat angles C4'-P-C4' energy: -57.933
flat angles P-C4'-P energy: -38.244
tors. eta vs tors. theta energy: -67.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -775.259575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.259575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.259575 (E_RNA)
where:
Base-Base interactions energy: -537.932
where: short stacking energy: -224.636
Base-Backbone interact. energy: -1.045
local terms energy: -236.283360
where:
bonds (distance) C4'-P energy: -48.990
bonds (distance) P-C4' energy: -51.555
flat angles C4'-P-C4' energy: -43.166
flat angles P-C4'-P energy: -37.742
tors. eta vs tors. theta energy: -54.831
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: 7
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -716.271023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.271023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.271023 (E_RNA)
where:
Base-Base interactions energy: -511.018
where: short stacking energy: -200.040
Base-Backbone interact. energy: 0.262
local terms energy: -205.515862
where:
bonds (distance) C4'-P energy: -42.513
bonds (distance) P-C4' energy: -46.871
flat angles C4'-P-C4' energy: -53.495
flat angles P-C4'-P energy: -20.703
tors. eta vs tors. theta energy: -41.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -700.977013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.977013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.977013 (E_RNA)
where:
Base-Base interactions energy: -486.152
where: short stacking energy: -205.799
Base-Backbone interact. energy: -2.213
local terms energy: -212.612606
where:
bonds (distance) C4'-P energy: -43.497
bonds (distance) P-C4' energy: -47.620
flat angles C4'-P-C4' energy: -44.707
flat angles P-C4'-P energy: -26.853
tors. eta vs tors. theta energy: -49.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -591.439082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.439082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.439082 (E_RNA)
where:
Base-Base interactions energy: -407.279
where: short stacking energy: -180.806
Base-Backbone interact. energy: -0.027
local terms energy: -184.132247
where:
bonds (distance) C4'-P energy: -36.835
bonds (distance) P-C4' energy: -36.817
flat angles C4'-P-C4' energy: -41.366
flat angles P-C4'-P energy: -31.241
tors. eta vs tors. theta energy: -37.874
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: 10, replica: 3
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -497.619475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.619475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.619475 (E_RNA)
where:
Base-Base interactions energy: -301.100
where: short stacking energy: -144.144
Base-Backbone interact. energy: 0.299
local terms energy: -196.817618
where:
bonds (distance) C4'-P energy: -45.019
bonds (distance) P-C4' energy: -45.815
flat angles C4'-P-C4' energy: -40.568
flat angles P-C4'-P energy: -32.017
tors. eta vs tors. theta energy: -33.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -984.859163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.859163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.859163 (E_RNA)
where:
Base-Base interactions energy: -702.693
where: short stacking energy: -275.115
Base-Backbone interact. energy: -2.855
local terms energy: -279.311234
where:
bonds (distance) C4'-P energy: -43.152
bonds (distance) P-C4' energy: -57.635
flat angles C4'-P-C4' energy: -55.683
flat angles P-C4'-P energy: -38.702
tors. eta vs tors. theta energy: -84.138
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: 396
Temperature: 0.950000
Total energy: -954.651824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.651824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.651824 (E_RNA)
where:
Base-Base interactions energy: -669.590
where: short stacking energy: -265.074
Base-Backbone interact. energy: -0.894
local terms energy: -284.167666
where:
bonds (distance) C4'-P energy: -50.496
bonds (distance) P-C4' energy: -56.289
flat angles C4'-P-C4' energy: -60.445
flat angles P-C4'-P energy: -44.535
tors. eta vs tors. theta energy: -72.403
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: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -939.430150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.430150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.430150 (E_RNA)
where:
Base-Base interactions energy: -655.103
where: short stacking energy: -265.449
Base-Backbone interact. energy: -2.188
local terms energy: -282.138808
where:
bonds (distance) C4'-P energy: -50.948
bonds (distance) P-C4' energy: -50.354
flat angles C4'-P-C4' energy: -60.317
flat angles P-C4'-P energy: -43.470
tors. eta vs tors. theta energy: -77.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -876.506643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.506643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.506643 (E_RNA)
where:
Base-Base interactions energy: -620.924
where: short stacking energy: -267.502
Base-Backbone interact. energy: 1.030
local terms energy: -256.612403
where:
bonds (distance) C4'-P energy: -47.703
bonds (distance) P-C4' energy: -53.404
flat angles C4'-P-C4' energy: -44.033
flat angles P-C4'-P energy: -37.332
tors. eta vs tors. theta energy: -74.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -879.636004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.636004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.636004 (E_RNA)
where:
Base-Base interactions energy: -617.366
where: short stacking energy: -239.633
Base-Backbone interact. energy: -1.083
local terms energy: -261.187005
where:
bonds (distance) C4'-P energy: -51.950
bonds (distance) P-C4' energy: -50.801
flat angles C4'-P-C4' energy: -58.172
flat angles P-C4'-P energy: -36.038
tors. eta vs tors. theta energy: -64.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -809.585036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.585036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.585036 (E_RNA)
where:
Base-Base interactions energy: -569.982
where: short stacking energy: -217.825
Base-Backbone interact. energy: -0.873
local terms energy: -238.730604
where:
bonds (distance) C4'-P energy: -47.424
bonds (distance) P-C4' energy: -44.386
flat angles C4'-P-C4' energy: -49.807
flat angles P-C4'-P energy: -34.170
tors. eta vs tors. theta energy: -62.943
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: 7
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -723.885236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.885236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.885236 (E_RNA)
where:
Base-Base interactions energy: -476.684
where: short stacking energy: -197.536
Base-Backbone interact. energy: -1.530
local terms energy: -245.670742
where:
bonds (distance) C4'-P energy: -57.207
bonds (distance) P-C4' energy: -46.282
flat angles C4'-P-C4' energy: -44.357
flat angles P-C4'-P energy: -40.882
tors. eta vs tors. theta energy: -56.944
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: 2
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -677.124091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.124091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.124091 (E_RNA)
where:
Base-Base interactions energy: -464.917
where: short stacking energy: -187.792
Base-Backbone interact. energy: -2.569
local terms energy: -209.637651
where:
bonds (distance) C4'-P energy: -40.369
bonds (distance) P-C4' energy: -52.750
flat angles C4'-P-C4' energy: -43.607
flat angles P-C4'-P energy: -32.242
tors. eta vs tors. theta energy: -40.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -592.827268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.827268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.827268 (E_RNA)
where:
Base-Base interactions energy: -404.815
where: short stacking energy: -167.919
Base-Backbone interact. energy: 2.431
local terms energy: -190.443193
where:
bonds (distance) C4'-P energy: -41.111
bonds (distance) P-C4' energy: -52.080
flat angles C4'-P-C4' energy: -31.714
flat angles P-C4'-P energy: -32.092
tors. eta vs tors. theta energy: -33.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -492.560251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.560251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.560251 (E_RNA)
where:
Base-Base interactions energy: -320.804
where: short stacking energy: -154.234
Base-Backbone interact. energy: 3.767
local terms energy: -175.523350
where:
bonds (distance) C4'-P energy: -39.647
bonds (distance) P-C4' energy: -41.496
flat angles C4'-P-C4' energy: -30.710
flat angles P-C4'-P energy: -32.597
tors. eta vs tors. theta energy: -31.074
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: 9
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -974.783664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.783664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.783664 (E_RNA)
where:
Base-Base interactions energy: -702.770
where: short stacking energy: -264.371
Base-Backbone interact. energy: -1.943
local terms energy: -270.070373
where:
bonds (distance) C4'-P energy: -47.144
bonds (distance) P-C4' energy: -49.600
flat angles C4'-P-C4' energy: -56.870
flat angles P-C4'-P energy: -44.549
tors. eta vs tors. theta energy: -71.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -950.328166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.328166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.328166 (E_RNA)
where:
Base-Base interactions energy: -660.068
where: short stacking energy: -277.823
Base-Backbone interact. energy: -2.748
local terms energy: -287.512227
where:
bonds (distance) C4'-P energy: -48.348
bonds (distance) P-C4' energy: -52.416
flat angles C4'-P-C4' energy: -59.420
flat angles P-C4'-P energy: -46.560
tors. eta vs tors. theta energy: -80.768
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: 1
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -936.498699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.498699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.498699 (E_RNA)
where:
Base-Base interactions energy: -653.767
where: short stacking energy: -269.659
Base-Backbone interact. energy: -1.890
local terms energy: -280.840962
where:
bonds (distance) C4'-P energy: -48.364
bonds (distance) P-C4' energy: -51.286
flat angles C4'-P-C4' energy: -58.758
flat angles P-C4'-P energy: -40.795
tors. eta vs tors. theta energy: -81.639
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: 10
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -889.674098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.674098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.674098 (E_RNA)
where:
Base-Base interactions energy: -629.843
where: short stacking energy: -247.408
Base-Backbone interact. energy: -0.854
local terms energy: -258.977488
where:
bonds (distance) C4'-P energy: -52.981
bonds (distance) P-C4' energy: -51.076
flat angles C4'-P-C4' energy: -50.408
flat angles P-C4'-P energy: -37.375
tors. eta vs tors. theta energy: -67.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -853.306599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.306599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.306599 (E_RNA)
where:
Base-Base interactions energy: -596.706
where: short stacking energy: -239.352
Base-Backbone interact. energy: 0.236
local terms energy: -256.835855
where:
bonds (distance) C4'-P energy: -49.831
bonds (distance) P-C4' energy: -44.957
flat angles C4'-P-C4' energy: -55.966
flat angles P-C4'-P energy: -41.759
tors. eta vs tors. theta energy: -64.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -747.823749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.823749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.823749 (E_RNA)
where:
Base-Base interactions energy: -521.993
where: short stacking energy: -225.524
Base-Backbone interact. energy: -0.929
local terms energy: -224.901454
where:
bonds (distance) C4'-P energy: -40.552
bonds (distance) P-C4' energy: -50.789
flat angles C4'-P-C4' energy: -51.870
flat angles P-C4'-P energy: -33.537
tors. eta vs tors. theta energy: -48.153
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: 397
Temperature: 1.200000
Total energy: -808.019150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.019150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.019150 (E_RNA)
where:
Base-Base interactions energy: -560.307
where: short stacking energy: -223.148
Base-Backbone interact. energy: 1.042
local terms energy: -248.753645
where:
bonds (distance) C4'-P energy: -48.414
bonds (distance) P-C4' energy: -51.001
flat angles C4'-P-C4' energy: -58.248
flat angles P-C4'-P energy: -29.125
tors. eta vs tors. theta energy: -61.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -668.282510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.282510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.282510 (E_RNA)
where:
Base-Base interactions energy: -452.763
where: short stacking energy: -194.708
Base-Backbone interact. energy: -1.841
local terms energy: -213.677881
where:
bonds (distance) C4'-P energy: -45.585
bonds (distance) P-C4' energy: -40.548
flat angles C4'-P-C4' energy: -48.919
flat angles P-C4'-P energy: -29.297
tors. eta vs tors. theta energy: -49.329
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: 8
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -616.011213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.011213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.011213 (E_RNA)
where:
Base-Base interactions energy: -404.144
where: short stacking energy: -170.858
Base-Backbone interact. energy: -0.149
local terms energy: -211.717752
where:
bonds (distance) C4'-P energy: -53.274
bonds (distance) P-C4' energy: -45.630
flat angles C4'-P-C4' energy: -44.994
flat angles P-C4'-P energy: -41.585
tors. eta vs tors. theta energy: -26.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -554.088774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.088774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.088774 (E_RNA)
where:
Base-Base interactions energy: -357.170
where: short stacking energy: -164.448
Base-Backbone interact. energy: 0.134
local terms energy: -197.052139
where:
bonds (distance) C4'-P energy: -35.750
bonds (distance) P-C4' energy: -50.480
flat angles C4'-P-C4' energy: -49.520
flat angles P-C4'-P energy: -34.615
tors. eta vs tors. theta energy: -26.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -984.114294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.114294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.114294 (E_RNA)
where:
Base-Base interactions energy: -683.985
where: short stacking energy: -283.176
Base-Backbone interact. energy: -3.806
local terms energy: -296.323735
where:
bonds (distance) C4'-P energy: -48.120
bonds (distance) P-C4' energy: -59.828
flat angles C4'-P-C4' energy: -58.953
flat angles P-C4'-P energy: -48.476
tors. eta vs tors. theta energy: -80.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -950.465604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.465604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.465604 (E_RNA)
where:
Base-Base interactions energy: -679.505
where: short stacking energy: -264.401
Base-Backbone interact. energy: 3.506
local terms energy: -274.466847
where:
bonds (distance) C4'-P energy: -50.553
bonds (distance) P-C4' energy: -50.344
flat angles C4'-P-C4' energy: -58.751
flat angles P-C4'-P energy: -39.564
tors. eta vs tors. theta energy: -75.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -918.543136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.543136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.543136 (E_RNA)
where:
Base-Base interactions energy: -655.802
where: short stacking energy: -264.714
Base-Backbone interact. energy: -1.110
local terms energy: -261.630781
where:
bonds (distance) C4'-P energy: -52.499
bonds (distance) P-C4' energy: -43.493
flat angles C4'-P-C4' energy: -59.215
flat angles P-C4'-P energy: -35.485
tors. eta vs tors. theta energy: -70.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -907.954481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.954481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.954481 (E_RNA)
where:
Base-Base interactions energy: -628.911
where: short stacking energy: -266.502
Base-Backbone interact. energy: -1.353
local terms energy: -277.690504
where:
bonds (distance) C4'-P energy: -45.033
bonds (distance) P-C4' energy: -57.142
flat angles C4'-P-C4' energy: -52.701
flat angles P-C4'-P energy: -41.058
tors. eta vs tors. theta energy: -81.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -854.245910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.245910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.245910 (E_RNA)
where:
Base-Base interactions energy: -595.383
where: short stacking energy: -231.515
Base-Backbone interact. energy: -1.800
local terms energy: -257.062937
where:
bonds (distance) C4'-P energy: -46.918
bonds (distance) P-C4' energy: -59.003
flat angles C4'-P-C4' energy: -48.399
flat angles P-C4'-P energy: -39.497
tors. eta vs tors. theta energy: -63.247
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: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -761.859979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.859979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.859979 (E_RNA)
where:
Base-Base interactions energy: -521.766
where: short stacking energy: -217.588
Base-Backbone interact. energy: -0.347
local terms energy: -239.747739
where:
bonds (distance) C4'-P energy: -43.318
bonds (distance) P-C4' energy: -48.112
flat angles C4'-P-C4' energy: -51.616
flat angles P-C4'-P energy: -36.754
tors. eta vs tors. theta energy: -59.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -674.465136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.465136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.465136 (E_RNA)
where:
Base-Base interactions energy: -447.546
where: short stacking energy: -178.784
Base-Backbone interact. energy: -1.740
local terms energy: -225.178764
where:
bonds (distance) C4'-P energy: -44.587
bonds (distance) P-C4' energy: -57.708
flat angles C4'-P-C4' energy: -45.287
flat angles P-C4'-P energy: -37.053
tors. eta vs tors. theta energy: -40.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -788.423410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.423410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.423410 (E_RNA)
where:
Base-Base interactions energy: -558.114
where: short stacking energy: -217.990
Base-Backbone interact. energy: 0.196
local terms energy: -230.505232
where:
bonds (distance) C4'-P energy: -41.971
bonds (distance) P-C4' energy: -43.451
flat angles C4'-P-C4' energy: -49.234
flat angles P-C4'-P energy: -34.967
tors. eta vs tors. theta energy: -60.883
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: 8
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -625.948291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.948291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.948291 (E_RNA)
where:
Base-Base interactions energy: -408.851
where: short stacking energy: -170.361
Base-Backbone interact. energy: -0.306
local terms energy: -216.791549
where:
bonds (distance) C4'-P energy: -50.157
bonds (distance) P-C4' energy: -47.471
flat angles C4'-P-C4' energy: -44.967
flat angles P-C4'-P energy: -36.757
tors. eta vs tors. theta energy: -37.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -469.768260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.768260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.768260 (E_RNA)
where:
Base-Base interactions energy: -285.271
where: short stacking energy: -119.681
Base-Backbone interact. energy: 2.865
local terms energy: -187.361811
where:
bonds (distance) C4'-P energy: -45.526
bonds (distance) P-C4' energy: -54.927
flat angles C4'-P-C4' energy: -46.097
flat angles P-C4'-P energy: -18.961
tors. eta vs tors. theta energy: -21.851
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: 1, replica: 4
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -970.995354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.995354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.995354 (E_RNA)
where:
Base-Base interactions energy: -672.029
where: short stacking energy: -283.386
Base-Backbone interact. energy: -1.762
local terms energy: -297.204769
where:
bonds (distance) C4'-P energy: -58.733
bonds (distance) P-C4' energy: -52.262
flat angles C4'-P-C4' energy: -59.781
flat angles P-C4'-P energy: -45.405
tors. eta vs tors. theta energy: -81.023
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: 9
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -936.062243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.062243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.062243 (E_RNA)
where:
Base-Base interactions energy: -660.254
where: short stacking energy: -267.639
Base-Backbone interact. energy: -0.402
local terms energy: -275.406427
where:
bonds (distance) C4'-P energy: -49.953
bonds (distance) P-C4' energy: -49.196
flat angles C4'-P-C4' energy: -59.063
flat angles P-C4'-P energy: -38.219
tors. eta vs tors. theta energy: -78.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -950.368820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.368820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.368820 (E_RNA)
where:
Base-Base interactions energy: -681.477
where: short stacking energy: -284.266
Base-Backbone interact. energy: -0.620
local terms energy: -268.272513
where:
bonds (distance) C4'-P energy: -49.286
bonds (distance) P-C4' energy: -50.752
flat angles C4'-P-C4' energy: -50.583
flat angles P-C4'-P energy: -39.845
tors. eta vs tors. theta energy: -77.806
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: 10
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -895.750231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.750231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.750231 (E_RNA)
where:
Base-Base interactions energy: -627.872
where: short stacking energy: -246.979
Base-Backbone interact. energy: -1.457
local terms energy: -266.422022
where:
bonds (distance) C4'-P energy: -49.395
bonds (distance) P-C4' energy: -48.333
flat angles C4'-P-C4' energy: -54.808
flat angles P-C4'-P energy: -37.613
tors. eta vs tors. theta energy: -76.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -878.139974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.139974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.139974 (E_RNA)
where:
Base-Base interactions energy: -611.735
where: short stacking energy: -250.071
Base-Backbone interact. energy: -2.600
local terms energy: -263.805446
where:
bonds (distance) C4'-P energy: -52.990
bonds (distance) P-C4' energy: -36.984
flat angles C4'-P-C4' energy: -59.352
flat angles P-C4'-P energy: -39.435
tors. eta vs tors. theta energy: -75.044
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: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -744.483374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.483374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.483374 (E_RNA)
where:
Base-Base interactions energy: -518.307
where: short stacking energy: -211.383
Base-Backbone interact. energy: -0.696
local terms energy: -225.480806
where:
bonds (distance) C4'-P energy: -43.953
bonds (distance) P-C4' energy: -54.296
flat angles C4'-P-C4' energy: -46.449
flat angles P-C4'-P energy: -25.207
tors. eta vs tors. theta energy: -55.576
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: 2
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -664.156496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.156496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.156496 (E_RNA)
where:
Base-Base interactions energy: -449.688
where: short stacking energy: -188.021
Base-Backbone interact. energy: 2.178
local terms energy: -216.646735
where:
bonds (distance) C4'-P energy: -36.975
bonds (distance) P-C4' energy: -49.109
flat angles C4'-P-C4' energy: -52.797
flat angles P-C4'-P energy: -37.242
tors. eta vs tors. theta energy: -40.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -731.220507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.220507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.220507 (E_RNA)
where:
Base-Base interactions energy: -500.554
where: short stacking energy: -202.974
Base-Backbone interact. energy: -0.247
local terms energy: -230.419856
where:
bonds (distance) C4'-P energy: -47.391
bonds (distance) P-C4' energy: -46.998
flat angles C4'-P-C4' energy: -42.179
flat angles P-C4'-P energy: -36.459
tors. eta vs tors. theta energy: -57.393
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: 8
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -640.765716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.765716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.765716 (E_RNA)
where:
Base-Base interactions energy: -418.394
where: short stacking energy: -176.347
Base-Backbone interact. energy: -0.302
local terms energy: -222.069934
where:
bonds (distance) C4'-P energy: -48.817
bonds (distance) P-C4' energy: -45.102
flat angles C4'-P-C4' energy: -55.834
flat angles P-C4'-P energy: -31.906
tors. eta vs tors. theta energy: -40.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -462.281340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.281340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.281340 (E_RNA)
where:
Base-Base interactions energy: -290.647
where: short stacking energy: -119.478
Base-Backbone interact. energy: -1.536
local terms energy: -170.099130
where:
bonds (distance) C4'-P energy: -41.600
bonds (distance) P-C4' energy: -51.055
flat angles C4'-P-C4' energy: -38.599
flat angles P-C4'-P energy: -19.891
tors. eta vs tors. theta energy: -18.955
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: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -975.763046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.763046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.763046 (E_RNA)
where:
Base-Base interactions energy: -684.260
where: short stacking energy: -293.645
Base-Backbone interact. energy: -1.037
local terms energy: -290.466125
where:
bonds (distance) C4'-P energy: -56.933
bonds (distance) P-C4' energy: -46.002
flat angles C4'-P-C4' energy: -62.745
flat angles P-C4'-P energy: -39.846
tors. eta vs tors. theta energy: -84.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -959.481020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.481020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.481020 (E_RNA)
where:
Base-Base interactions energy: -680.352
where: short stacking energy: -266.770
Base-Backbone interact. energy: 0.848
local terms energy: -279.976220
where:
bonds (distance) C4'-P energy: -56.064
bonds (distance) P-C4' energy: -46.836
flat angles C4'-P-C4' energy: -60.498
flat angles P-C4'-P energy: -40.571
tors. eta vs tors. theta energy: -76.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -920.061780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.061780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.061780 (E_RNA)
where:
Base-Base interactions energy: -660.562
where: short stacking energy: -271.016
Base-Backbone interact. energy: -0.757
local terms energy: -258.743106
where:
bonds (distance) C4'-P energy: -40.791
bonds (distance) P-C4' energy: -47.629
flat angles C4'-P-C4' energy: -56.277
flat angles P-C4'-P energy: -38.061
tors. eta vs tors. theta energy: -75.985
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: 10
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -888.459633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.459633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.459633 (E_RNA)
where:
Base-Base interactions energy: -633.956
where: short stacking energy: -247.998
Base-Backbone interact. energy: -1.818
local terms energy: -252.686053
where:
bonds (distance) C4'-P energy: -49.143
bonds (distance) P-C4' energy: -54.546
flat angles C4'-P-C4' energy: -46.355
flat angles P-C4'-P energy: -35.306
tors. eta vs tors. theta energy: -67.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -883.927838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.927838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.927838 (E_RNA)
where:
Base-Base interactions energy: -629.616
where: short stacking energy: -247.557
Base-Backbone interact. energy: -1.471
local terms energy: -252.840963
where:
bonds (distance) C4'-P energy: -54.142
bonds (distance) P-C4' energy: -45.356
flat angles C4'-P-C4' energy: -45.989
flat angles P-C4'-P energy: -37.379
tors. eta vs tors. theta energy: -69.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -762.990199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.990199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.990199 (E_RNA)
where:
Base-Base interactions energy: -530.423
where: short stacking energy: -205.065
Base-Backbone interact. energy: -0.677
local terms energy: -231.890613
where:
bonds (distance) C4'-P energy: -53.660
bonds (distance) P-C4' energy: -39.343
flat angles C4'-P-C4' energy: -52.363
flat angles P-C4'-P energy: -34.324
tors. eta vs tors. theta energy: -52.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -705.586942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.586942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.586942 (E_RNA)
where:
Base-Base interactions energy: -482.171
where: short stacking energy: -203.714
Base-Backbone interact. energy: -0.345
local terms energy: -223.070013
where:
bonds (distance) C4'-P energy: -40.357
bonds (distance) P-C4' energy: -49.014
flat angles C4'-P-C4' energy: -47.495
flat angles P-C4'-P energy: -35.473
tors. eta vs tors. theta energy: -50.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -688.731916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.731916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.731916 (E_RNA)
where:
Base-Base interactions energy: -469.333
where: short stacking energy: -177.752
Base-Backbone interact. energy: -0.556
local terms energy: -218.842669
where:
bonds (distance) C4'-P energy: -51.701
bonds (distance) P-C4' energy: -45.832
flat angles C4'-P-C4' energy: -49.568
flat angles P-C4'-P energy: -27.410
tors. eta vs tors. theta energy: -44.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -641.687643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.687643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.687643 (E_RNA)
where:
Base-Base interactions energy: -417.361
where: short stacking energy: -177.532
Base-Backbone interact. energy: 0.189
local terms energy: -224.516328
where:
bonds (distance) C4'-P energy: -46.872
bonds (distance) P-C4' energy: -50.102
flat angles C4'-P-C4' energy: -48.173
flat angles P-C4'-P energy: -36.493
tors. eta vs tors. theta energy: -42.877
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: 10, replica: 3
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -507.248867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.248867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.248867 (E_RNA)
where:
Base-Base interactions energy: -325.764
where: short stacking energy: -159.225
Base-Backbone interact. energy: -1.051
local terms energy: -180.433763
where:
bonds (distance) C4'-P energy: -29.210
bonds (distance) P-C4' energy: -47.356
flat angles C4'-P-C4' energy: -41.028
flat angles P-C4'-P energy: -30.737
tors. eta vs tors. theta energy: -32.103
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: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -965.443427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.443427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.443427 (E_RNA)
where:
Base-Base interactions energy: -668.197
where: short stacking energy: -283.780
Base-Backbone interact. energy: 0.286
local terms energy: -297.532173
where:
bonds (distance) C4'-P energy: -51.948
bonds (distance) P-C4' energy: -55.989
flat angles C4'-P-C4' energy: -64.087
flat angles P-C4'-P energy: -48.266
tors. eta vs tors. theta energy: -77.243
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: 9
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -934.901519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.901519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.901519 (E_RNA)
where:
Base-Base interactions energy: -666.835
where: short stacking energy: -269.834
Base-Backbone interact. energy: 1.150
local terms energy: -269.216696
where:
bonds (distance) C4'-P energy: -56.213
bonds (distance) P-C4' energy: -51.128
flat angles C4'-P-C4' energy: -51.519
flat angles P-C4'-P energy: -39.451
tors. eta vs tors. theta energy: -70.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -909.602013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.602013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.602013 (E_RNA)
where:
Base-Base interactions energy: -635.434
where: short stacking energy: -256.746
Base-Backbone interact. energy: -1.150
local terms energy: -273.017603
where:
bonds (distance) C4'-P energy: -51.699
bonds (distance) P-C4' energy: -47.850
flat angles C4'-P-C4' energy: -60.774
flat angles P-C4'-P energy: -38.127
tors. eta vs tors. theta energy: -74.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -869.968698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.968698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.968698 (E_RNA)
where:
Base-Base interactions energy: -611.540
where: short stacking energy: -233.324
Base-Backbone interact. energy: -0.269
local terms energy: -258.158941
where:
bonds (distance) C4'-P energy: -49.066
bonds (distance) P-C4' energy: -42.620
flat angles C4'-P-C4' energy: -58.661
flat angles P-C4'-P energy: -36.215
tors. eta vs tors. theta energy: -71.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -882.881388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.881388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.881388 (E_RNA)
where:
Base-Base interactions energy: -618.258
where: short stacking energy: -245.731
Base-Backbone interact. energy: -1.398
local terms energy: -263.225124
where:
bonds (distance) C4'-P energy: -48.599
bonds (distance) P-C4' energy: -51.246
flat angles C4'-P-C4' energy: -54.364
flat angles P-C4'-P energy: -39.841
tors. eta vs tors. theta energy: -69.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -756.478050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.478050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.478050 (E_RNA)
where:
Base-Base interactions energy: -524.429
where: short stacking energy: -229.299
Base-Backbone interact. energy: -0.174
local terms energy: -231.874573
where:
bonds (distance) C4'-P energy: -43.542
bonds (distance) P-C4' energy: -37.326
flat angles C4'-P-C4' energy: -56.598
flat angles P-C4'-P energy: -34.010
tors. eta vs tors. theta energy: -60.398
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: 7, replica: 7
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -732.340560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.340560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.340560 (E_RNA)
where:
Base-Base interactions energy: -490.485
where: short stacking energy: -190.555
Base-Backbone interact. energy: -0.390
local terms energy: -241.465175
where:
bonds (distance) C4'-P energy: -50.549
bonds (distance) P-C4' energy: -46.158
flat angles C4'-P-C4' energy: -58.845
flat angles P-C4'-P energy: -31.719
tors. eta vs tors. theta energy: -54.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -715.446229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.446229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.446229 (E_RNA)
where:
Base-Base interactions energy: -499.524
where: short stacking energy: -200.666
Base-Backbone interact. energy: -1.086
local terms energy: -214.836609
where:
bonds (distance) C4'-P energy: -37.060
bonds (distance) P-C4' energy: -40.135
flat angles C4'-P-C4' energy: -53.337
flat angles P-C4'-P energy: -35.568
tors. eta vs tors. theta energy: -48.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -606.501614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.501614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.501614 (E_RNA)
where:
Base-Base interactions energy: -391.085
where: short stacking energy: -146.723
Base-Backbone interact. energy: -2.164
local terms energy: -213.252348
where:
bonds (distance) C4'-P energy: -47.687
bonds (distance) P-C4' energy: -46.369
flat angles C4'-P-C4' energy: -50.628
flat angles P-C4'-P energy: -32.029
tors. eta vs tors. theta energy: -36.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -454.998510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.998510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.998510 (E_RNA)
where:
Base-Base interactions energy: -298.496
where: short stacking energy: -126.220
Base-Backbone interact. energy: 1.356
local terms energy: -157.857941
where:
bonds (distance) C4'-P energy: -43.815
bonds (distance) P-C4' energy: -39.289
flat angles C4'-P-C4' energy: -36.503
flat angles P-C4'-P energy: -20.470
tors. eta vs tors. theta energy: -17.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -973.501491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.501491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.501491 (E_RNA)
where:
Base-Base interactions energy: -691.788
where: short stacking energy: -288.542
Base-Backbone interact. energy: -0.207
local terms energy: -281.506620
where:
bonds (distance) C4'-P energy: -53.798
bonds (distance) P-C4' energy: -44.271
flat angles C4'-P-C4' energy: -62.959
flat angles P-C4'-P energy: -36.902
tors. eta vs tors. theta energy: -83.577
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: 402
Temperature: 0.950000
Total energy: -948.720353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.720353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.720353 (E_RNA)
where:
Base-Base interactions energy: -669.536
where: short stacking energy: -259.978
Base-Backbone interact. energy: -0.926
local terms energy: -278.257874
where:
bonds (distance) C4'-P energy: -55.081
bonds (distance) P-C4' energy: -49.389
flat angles C4'-P-C4' energy: -54.256
flat angles P-C4'-P energy: -44.940
tors. eta vs tors. theta energy: -74.592
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: 3, replica: 1
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -932.050138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.050138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.050138 (E_RNA)
where:
Base-Base interactions energy: -655.883
where: short stacking energy: -264.056
Base-Backbone interact. energy: -0.849
local terms energy: -275.318274
where:
bonds (distance) C4'-P energy: -52.869
bonds (distance) P-C4' energy: -52.444
flat angles C4'-P-C4' energy: -60.034
flat angles P-C4'-P energy: -34.116
tors. eta vs tors. theta energy: -75.855
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: 402
Temperature: 1.050000
Total energy: -891.211344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.211344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.211344 (E_RNA)
where:
Base-Base interactions energy: -634.869
where: short stacking energy: -247.608
Base-Backbone interact. energy: 0.694
local terms energy: -257.036970
where:
bonds (distance) C4'-P energy: -53.739
bonds (distance) P-C4' energy: -49.168
flat angles C4'-P-C4' energy: -55.205
flat angles P-C4'-P energy: -32.231
tors. eta vs tors. theta energy: -66.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -860.720672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.720672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.720672 (E_RNA)
where:
Base-Base interactions energy: -596.288
where: short stacking energy: -250.728
Base-Backbone interact. energy: -2.344
local terms energy: -262.087928
where:
bonds (distance) C4'-P energy: -50.643
bonds (distance) P-C4' energy: -53.265
flat angles C4'-P-C4' energy: -53.258
flat angles P-C4'-P energy: -41.979
tors. eta vs tors. theta energy: -62.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -749.193326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.193326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.193326 (E_RNA)
where:
Base-Base interactions energy: -521.067
where: short stacking energy: -205.630
Base-Backbone interact. energy: 1.166
local terms energy: -229.293138
where:
bonds (distance) C4'-P energy: -45.077
bonds (distance) P-C4' energy: -43.083
flat angles C4'-P-C4' energy: -51.133
flat angles P-C4'-P energy: -40.341
tors. eta vs tors. theta energy: -49.660
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: 2
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -723.753534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.753534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.753534 (E_RNA)
where:
Base-Base interactions energy: -506.051
where: short stacking energy: -212.163
Base-Backbone interact. energy: 1.396
local terms energy: -219.098752
where:
bonds (distance) C4'-P energy: -56.726
bonds (distance) P-C4' energy: -43.110
flat angles C4'-P-C4' energy: -42.942
flat angles P-C4'-P energy: -30.317
tors. eta vs tors. theta energy: -46.003
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: 402
Temperature: 1.250000
Total energy: -684.023880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.023880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.023880 (E_RNA)
where:
Base-Base interactions energy: -439.253
where: short stacking energy: -189.687
Base-Backbone interact. energy: -0.950
local terms energy: -243.820841
where:
bonds (distance) C4'-P energy: -49.440
bonds (distance) P-C4' energy: -42.736
flat angles C4'-P-C4' energy: -53.872
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -57.459
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: 9, replica: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -590.996452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.996452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.996452 (E_RNA)
where:
Base-Base interactions energy: -407.700
where: short stacking energy: -172.012
Base-Backbone interact. energy: 2.654
local terms energy: -185.950682
where:
bonds (distance) C4'-P energy: -35.062
bonds (distance) P-C4' energy: -39.728
flat angles C4'-P-C4' energy: -48.360
flat angles P-C4'-P energy: -31.253
tors. eta vs tors. theta energy: -31.548
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: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -494.123108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.123108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.123108 (E_RNA)
where:
Base-Base interactions energy: -309.557
where: short stacking energy: -144.063
Base-Backbone interact. energy: -0.393
local terms energy: -184.173387
where:
bonds (distance) C4'-P energy: -43.859
bonds (distance) P-C4' energy: -41.471
flat angles C4'-P-C4' energy: -39.742
flat angles P-C4'-P energy: -34.340
tors. eta vs tors. theta energy: -24.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -967.886297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.886297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.886297 (E_RNA)
where:
Base-Base interactions energy: -694.951
where: short stacking energy: -291.240
Base-Backbone interact. energy: -1.239
local terms energy: -271.696288
where:
bonds (distance) C4'-P energy: -46.895
bonds (distance) P-C4' energy: -47.843
flat angles C4'-P-C4' energy: -59.606
flat angles P-C4'-P energy: -33.692
tors. eta vs tors. theta energy: -83.659
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: 1
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -935.933513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.933513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.933513 (E_RNA)
where:
Base-Base interactions energy: -666.084
where: short stacking energy: -277.683
Base-Backbone interact. energy: -0.669
local terms energy: -269.180236
where:
bonds (distance) C4'-P energy: -48.088
bonds (distance) P-C4' energy: -52.135
flat angles C4'-P-C4' energy: -60.406
flat angles P-C4'-P energy: -32.846
tors. eta vs tors. theta energy: -75.705
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: 403
Temperature: 1.000000
Total energy: -905.901614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.901614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.901614 (E_RNA)
where:
Base-Base interactions energy: -635.712
where: short stacking energy: -251.392
Base-Backbone interact. energy: -0.123
local terms energy: -270.066293
where:
bonds (distance) C4'-P energy: -47.518
bonds (distance) P-C4' energy: -54.433
flat angles C4'-P-C4' energy: -55.676
flat angles P-C4'-P energy: -36.488
tors. eta vs tors. theta energy: -75.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -890.482705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.482705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.482705 (E_RNA)
where:
Base-Base interactions energy: -619.438
where: short stacking energy: -250.486
Base-Backbone interact. energy: -2.420
local terms energy: -268.625385
where:
bonds (distance) C4'-P energy: -53.435
bonds (distance) P-C4' energy: -43.813
flat angles C4'-P-C4' energy: -58.282
flat angles P-C4'-P energy: -37.083
tors. eta vs tors. theta energy: -76.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -855.336074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.336074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.336074 (E_RNA)
where:
Base-Base interactions energy: -610.638
where: short stacking energy: -242.181
Base-Backbone interact. energy: 1.081
local terms energy: -245.779170
where:
bonds (distance) C4'-P energy: -50.809
bonds (distance) P-C4' energy: -45.771
flat angles C4'-P-C4' energy: -56.284
flat angles P-C4'-P energy: -30.371
tors. eta vs tors. theta energy: -62.544
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: 403
Temperature: 1.150000
Total energy: -745.468276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.468276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.468276 (E_RNA)
where:
Base-Base interactions energy: -516.909
where: short stacking energy: -218.632
Base-Backbone interact. energy: -1.369
local terms energy: -227.190448
where:
bonds (distance) C4'-P energy: -45.215
bonds (distance) P-C4' energy: -59.643
flat angles C4'-P-C4' energy: -46.572
flat angles P-C4'-P energy: -30.094
tors. eta vs tors. theta energy: -45.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -713.781134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.781134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.781134 (E_RNA)
where:
Base-Base interactions energy: -496.960
where: short stacking energy: -212.651
Base-Backbone interact. energy: -1.813
local terms energy: -215.008389
where:
bonds (distance) C4'-P energy: -50.818
bonds (distance) P-C4' energy: -36.834
flat angles C4'-P-C4' energy: -50.586
flat angles P-C4'-P energy: -26.973
tors. eta vs tors. theta energy: -49.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -670.337812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.337812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.337812 (E_RNA)
where:
Base-Base interactions energy: -452.070
where: short stacking energy: -183.478
Base-Backbone interact. energy: 0.692
local terms energy: -218.959408
where:
bonds (distance) C4'-P energy: -35.109
bonds (distance) P-C4' energy: -49.206
flat angles C4'-P-C4' energy: -51.648
flat angles P-C4'-P energy: -26.777
tors. eta vs tors. theta energy: -56.219
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: 8
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -613.601153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.601153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.601153 (E_RNA)
where:
Base-Base interactions energy: -396.706
where: short stacking energy: -169.941
Base-Backbone interact. energy: -0.218
local terms energy: -216.677768
where:
bonds (distance) C4'-P energy: -45.959
bonds (distance) P-C4' energy: -45.006
flat angles C4'-P-C4' energy: -48.974
flat angles P-C4'-P energy: -36.602
tors. eta vs tors. theta energy: -40.136
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: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -506.639391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.639391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.639391 (E_RNA)
where:
Base-Base interactions energy: -318.134
where: short stacking energy: -137.551
Base-Backbone interact. energy: -1.402
local terms energy: -187.103682
where:
bonds (distance) C4'-P energy: -38.130
bonds (distance) P-C4' energy: -44.075
flat angles C4'-P-C4' energy: -41.526
flat angles P-C4'-P energy: -30.093
tors. eta vs tors. theta energy: -33.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -966.225632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.225632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.225632 (E_RNA)
where:
Base-Base interactions energy: -682.354
where: short stacking energy: -260.365
Base-Backbone interact. energy: 0.296
local terms energy: -284.166969
where:
bonds (distance) C4'-P energy: -54.686
bonds (distance) P-C4' energy: -49.711
flat angles C4'-P-C4' energy: -59.230
flat angles P-C4'-P energy: -44.764
tors. eta vs tors. theta energy: -75.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -936.538419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.538419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.538419 (E_RNA)
where:
Base-Base interactions energy: -681.516
where: short stacking energy: -282.865
Base-Backbone interact. energy: -1.067
local terms energy: -253.954720
where:
bonds (distance) C4'-P energy: -45.769
bonds (distance) P-C4' energy: -34.977
flat angles C4'-P-C4' energy: -59.921
flat angles P-C4'-P energy: -38.383
tors. eta vs tors. theta energy: -74.905
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: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -928.169723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.169723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.169723 (E_RNA)
where:
Base-Base interactions energy: -650.124
where: short stacking energy: -253.491
Base-Backbone interact. energy: -0.820
local terms energy: -277.225397
where:
bonds (distance) C4'-P energy: -49.414
bonds (distance) P-C4' energy: -51.959
flat angles C4'-P-C4' energy: -51.979
flat angles P-C4'-P energy: -43.488
tors. eta vs tors. theta energy: -80.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -896.676291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.676291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.676291 (E_RNA)
where:
Base-Base interactions energy: -628.466
where: short stacking energy: -268.062
Base-Backbone interact. energy: -1.977
local terms energy: -266.233304
where:
bonds (distance) C4'-P energy: -39.311
bonds (distance) P-C4' energy: -48.802
flat angles C4'-P-C4' energy: -59.816
flat angles P-C4'-P energy: -36.157
tors. eta vs tors. theta energy: -82.146
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: 10
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -864.602224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.602224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.602224 (E_RNA)
where:
Base-Base interactions energy: -610.199
where: short stacking energy: -242.591
Base-Backbone interact. energy: -1.868
local terms energy: -252.534967
where:
bonds (distance) C4'-P energy: -53.836
bonds (distance) P-C4' energy: -49.947
flat angles C4'-P-C4' energy: -55.211
flat angles P-C4'-P energy: -31.101
tors. eta vs tors. theta energy: -62.440
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: 6, replica: 6
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -746.128951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.128951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.128951 (E_RNA)
where:
Base-Base interactions energy: -521.842
where: short stacking energy: -211.821
Base-Backbone interact. energy: -1.643
local terms energy: -222.644033
where:
bonds (distance) C4'-P energy: -41.833
bonds (distance) P-C4' energy: -44.236
flat angles C4'-P-C4' energy: -54.884
flat angles P-C4'-P energy: -33.750
tors. eta vs tors. theta energy: -47.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -727.832270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.832270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.832270 (E_RNA)
where:
Base-Base interactions energy: -502.710
where: short stacking energy: -218.560
Base-Backbone interact. energy: -0.384
local terms energy: -224.738890
where:
bonds (distance) C4'-P energy: -42.153
bonds (distance) P-C4' energy: -52.962
flat angles C4'-P-C4' energy: -53.849
flat angles P-C4'-P energy: -30.065
tors. eta vs tors. theta energy: -45.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -649.218657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.218657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.218657 (E_RNA)
where:
Base-Base interactions energy: -433.015
where: short stacking energy: -180.529
Base-Backbone interact. energy: 0.125
local terms energy: -216.327981
where:
bonds (distance) C4'-P energy: -52.227
bonds (distance) P-C4' energy: -48.303
flat angles C4'-P-C4' energy: -52.051
flat angles P-C4'-P energy: -21.877
tors. eta vs tors. theta energy: -41.870
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: 3
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -507.907842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.907842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.907842 (E_RNA)
where:
Base-Base interactions energy: -334.746
where: short stacking energy: -156.848
Base-Backbone interact. energy: -1.565
local terms energy: -171.597022
where:
bonds (distance) C4'-P energy: -36.071
bonds (distance) P-C4' energy: -44.774
flat angles C4'-P-C4' energy: -40.712
flat angles P-C4'-P energy: -24.294
tors. eta vs tors. theta energy: -25.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -570.946344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.946344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.946344 (E_RNA)
where:
Base-Base interactions energy: -394.540
where: short stacking energy: -166.502
Base-Backbone interact. energy: 1.567
local terms energy: -177.973955
where:
bonds (distance) C4'-P energy: -29.400
bonds (distance) P-C4' energy: -32.655
flat angles C4'-P-C4' energy: -47.953
flat angles P-C4'-P energy: -34.384
tors. eta vs tors. theta energy: -33.581
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: 1, replica: 9
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -969.190449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.190449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.190449 (E_RNA)
where:
Base-Base interactions energy: -682.588
where: short stacking energy: -278.756
Base-Backbone interact. energy: -1.292
local terms energy: -285.310599
where:
bonds (distance) C4'-P energy: -58.249
bonds (distance) P-C4' energy: -48.756
flat angles C4'-P-C4' energy: -64.012
flat angles P-C4'-P energy: -38.650
tors. eta vs tors. theta energy: -75.643
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: 2, replica: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -937.506413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.506413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.506413 (E_RNA)
where:
Base-Base interactions energy: -651.311
where: short stacking energy: -263.195
Base-Backbone interact. energy: -1.044
local terms energy: -285.151308
where:
bonds (distance) C4'-P energy: -62.305
bonds (distance) P-C4' energy: -38.951
flat angles C4'-P-C4' energy: -62.876
flat angles P-C4'-P energy: -43.728
tors. eta vs tors. theta energy: -77.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -895.805291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.805291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.805291 (E_RNA)
where:
Base-Base interactions energy: -629.378
where: short stacking energy: -257.677
Base-Backbone interact. energy: -1.243
local terms energy: -265.184553
where:
bonds (distance) C4'-P energy: -50.153
bonds (distance) P-C4' energy: -46.556
flat angles C4'-P-C4' energy: -54.176
flat angles P-C4'-P energy: -39.913
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: 4, replica: 4
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -888.371459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.371459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.371459 (E_RNA)
where:
Base-Base interactions energy: -636.309
where: short stacking energy: -254.328
Base-Backbone interact. energy: -1.344
local terms energy: -250.718130
where:
bonds (distance) C4'-P energy: -52.182
bonds (distance) P-C4' energy: -49.651
flat angles C4'-P-C4' energy: -45.923
flat angles P-C4'-P energy: -34.563
tors. eta vs tors. theta energy: -68.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -854.751458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.751458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.751458 (E_RNA)
where:
Base-Base interactions energy: -611.377
where: short stacking energy: -249.198
Base-Backbone interact. energy: -1.313
local terms energy: -242.061550
where:
bonds (distance) C4'-P energy: -48.469
bonds (distance) P-C4' energy: -46.077
flat angles C4'-P-C4' energy: -53.838
flat angles P-C4'-P energy: -23.399
tors. eta vs tors. theta energy: -70.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -743.729702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.729702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.729702 (E_RNA)
where:
Base-Base interactions energy: -511.626
where: short stacking energy: -184.019
Base-Backbone interact. energy: 5.414
local terms energy: -237.517396
where:
bonds (distance) C4'-P energy: -51.250
bonds (distance) P-C4' energy: -47.686
flat angles C4'-P-C4' energy: -54.909
flat angles P-C4'-P energy: -39.019
tors. eta vs tors. theta energy: -44.653
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: 2
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -738.489039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.489039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.489039 (E_RNA)
where:
Base-Base interactions energy: -509.895
where: short stacking energy: -208.475
Base-Backbone interact. energy: -0.742
local terms energy: -227.852362
where:
bonds (distance) C4'-P energy: -46.660
bonds (distance) P-C4' energy: -44.766
flat angles C4'-P-C4' energy: -51.637
flat angles P-C4'-P energy: -28.747
tors. eta vs tors. theta energy: -56.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -658.153062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.153062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.153062 (E_RNA)
where:
Base-Base interactions energy: -431.522
where: short stacking energy: -182.929
Base-Backbone interact. energy: -1.479
local terms energy: -225.152014
where:
bonds (distance) C4'-P energy: -51.879
bonds (distance) P-C4' energy: -48.678
flat angles C4'-P-C4' energy: -50.013
flat angles P-C4'-P energy: -33.140
tors. eta vs tors. theta energy: -41.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -529.015450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.015450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.015450 (E_RNA)
where:
Base-Base interactions energy: -319.539
where: short stacking energy: -149.042
Base-Backbone interact. energy: -0.549
local terms energy: -208.926887
where:
bonds (distance) C4'-P energy: -48.483
bonds (distance) P-C4' energy: -44.099
flat angles C4'-P-C4' energy: -55.410
flat angles P-C4'-P energy: -36.060
tors. eta vs tors. theta energy: -24.875
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: 8
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -573.577940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.577940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.577940 (E_RNA)
where:
Base-Base interactions energy: -380.670
where: short stacking energy: -168.048
Base-Backbone interact. energy: -1.134
local terms energy: -191.774055
where:
bonds (distance) C4'-P energy: -39.474
bonds (distance) P-C4' energy: -50.217
flat angles C4'-P-C4' energy: -44.717
flat angles P-C4'-P energy: -30.337
tors. eta vs tors. theta energy: -27.029
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: 9
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -985.477017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.477017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.477017 (E_RNA)
where:
Base-Base interactions energy: -693.590
where: short stacking energy: -263.340
Base-Backbone interact. energy: -1.295
local terms energy: -290.591168
where:
bonds (distance) C4'-P energy: -59.521
bonds (distance) P-C4' energy: -53.025
flat angles C4'-P-C4' energy: -58.261
flat angles P-C4'-P energy: -40.450
tors. eta vs tors. theta energy: -79.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -938.409954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.409954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.409954 (E_RNA)
where:
Base-Base interactions energy: -669.728
where: short stacking energy: -262.720
Base-Backbone interact. energy: -1.343
local terms energy: -267.338858
where:
bonds (distance) C4'-P energy: -50.435
bonds (distance) P-C4' energy: -45.864
flat angles C4'-P-C4' energy: -60.890
flat angles P-C4'-P energy: -44.292
tors. eta vs tors. theta energy: -65.858
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: 3, replica: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -914.033016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.033016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.033016 (E_RNA)
where:
Base-Base interactions energy: -636.168
where: short stacking energy: -254.925
Base-Backbone interact. energy: -0.894
local terms energy: -276.971309
where:
bonds (distance) C4'-P energy: -56.089
bonds (distance) P-C4' energy: -53.965
flat angles C4'-P-C4' energy: -58.931
flat angles P-C4'-P energy: -36.631
tors. eta vs tors. theta energy: -71.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -884.080623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.080623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.080623 (E_RNA)
where:
Base-Base interactions energy: -615.311
where: short stacking energy: -247.738
Base-Backbone interact. energy: 0.166
local terms energy: -268.935582
where:
bonds (distance) C4'-P energy: -45.785
bonds (distance) P-C4' energy: -50.555
flat angles C4'-P-C4' energy: -56.833
flat angles P-C4'-P energy: -51.627
tors. eta vs tors. theta energy: -64.136
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: 10
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -828.269109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.269109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.269109 (E_RNA)
where:
Base-Base interactions energy: -576.124
where: short stacking energy: -222.487
Base-Backbone interact. energy: -2.220
local terms energy: -249.925719
where:
bonds (distance) C4'-P energy: -58.256
bonds (distance) P-C4' energy: -49.103
flat angles C4'-P-C4' energy: -53.569
flat angles P-C4'-P energy: -30.230
tors. eta vs tors. theta energy: -58.767
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: 6, replica: 6
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -740.959610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.959610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.959610 (E_RNA)
where:
Base-Base interactions energy: -510.625
where: short stacking energy: -208.880
Base-Backbone interact. energy: 0.985
local terms energy: -231.319630
where:
bonds (distance) C4'-P energy: -46.644
bonds (distance) P-C4' energy: -46.865
flat angles C4'-P-C4' energy: -47.840
flat angles P-C4'-P energy: -38.203
tors. eta vs tors. theta energy: -51.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -755.364329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.364329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.364329 (E_RNA)
where:
Base-Base interactions energy: -535.707
where: short stacking energy: -218.335
Base-Backbone interact. energy: -3.521
local terms energy: -216.135838
where:
bonds (distance) C4'-P energy: -37.271
bonds (distance) P-C4' energy: -42.637
flat angles C4'-P-C4' energy: -47.852
flat angles P-C4'-P energy: -32.679
tors. eta vs tors. theta energy: -55.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -642.950456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.950456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.950456 (E_RNA)
where:
Base-Base interactions energy: -422.230
where: short stacking energy: -183.906
Base-Backbone interact. energy: 1.722
local terms energy: -222.442348
where:
bonds (distance) C4'-P energy: -47.949
bonds (distance) P-C4' energy: -50.023
flat angles C4'-P-C4' energy: -49.421
flat angles P-C4'-P energy: -33.935
tors. eta vs tors. theta energy: -41.115
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: 9, replica: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -619.305593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.305593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.305593 (E_RNA)
where:
Base-Base interactions energy: -410.986
where: short stacking energy: -171.700
Base-Backbone interact. energy: -1.689
local terms energy: -206.631004
where:
bonds (distance) C4'-P energy: -40.591
bonds (distance) P-C4' energy: -51.893
flat angles C4'-P-C4' energy: -43.629
flat angles P-C4'-P energy: -29.483
tors. eta vs tors. theta energy: -41.035
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: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -459.839742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.839742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.839742 (E_RNA)
where:
Base-Base interactions energy: -294.144
where: short stacking energy: -135.936
Base-Backbone interact. energy: 0.680
local terms energy: -166.375372
where:
bonds (distance) C4'-P energy: -33.944
bonds (distance) P-C4' energy: -40.813
flat angles C4'-P-C4' energy: -39.271
flat angles P-C4'-P energy: -33.124
tors. eta vs tors. theta energy: -19.224
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: 9
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -981.135057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.135057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.135057 (E_RNA)
where:
Base-Base interactions energy: -694.210
where: short stacking energy: -271.395
Base-Backbone interact. energy: 2.048
local terms energy: -288.972970
where:
bonds (distance) C4'-P energy: -48.569
bonds (distance) P-C4' energy: -55.703
flat angles C4'-P-C4' energy: -62.653
flat angles P-C4'-P energy: -45.519
tors. eta vs tors. theta energy: -76.529
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: 5
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -958.159266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.159266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.159266 (E_RNA)
where:
Base-Base interactions energy: -663.941
where: short stacking energy: -271.693
Base-Backbone interact. energy: 2.356
local terms energy: -296.573650
where:
bonds (distance) C4'-P energy: -53.929
bonds (distance) P-C4' energy: -58.000
flat angles C4'-P-C4' energy: -61.712
flat angles P-C4'-P energy: -45.588
tors. eta vs tors. theta energy: -77.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -924.515500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.515500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.515500 (E_RNA)
where:
Base-Base interactions energy: -654.759
where: short stacking energy: -273.439
Base-Backbone interact. energy: -1.901
local terms energy: -267.855429
where:
bonds (distance) C4'-P energy: -39.386
bonds (distance) P-C4' energy: -52.464
flat angles C4'-P-C4' energy: -66.996
flat angles P-C4'-P energy: -34.112
tors. eta vs tors. theta energy: -74.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -914.429095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.429095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.429095 (E_RNA)
where:
Base-Base interactions energy: -646.553
where: short stacking energy: -247.314
Base-Backbone interact. energy: 9.571
local terms energy: -277.446336
where:
bonds (distance) C4'-P energy: -47.869
bonds (distance) P-C4' energy: -58.814
flat angles C4'-P-C4' energy: -48.651
flat angles P-C4'-P energy: -48.886
tors. eta vs tors. theta energy: -73.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -865.987582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.987582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.987582 (E_RNA)
where:
Base-Base interactions energy: -605.530
where: short stacking energy: -252.674
Base-Backbone interact. energy: -1.349
local terms energy: -259.107999
where:
bonds (distance) C4'-P energy: -43.845
bonds (distance) P-C4' energy: -49.415
flat angles C4'-P-C4' energy: -52.023
flat angles P-C4'-P energy: -43.817
tors. eta vs tors. theta energy: -70.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -769.992445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.992445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.992445 (E_RNA)
where:
Base-Base interactions energy: -519.751
where: short stacking energy: -215.198
Base-Backbone interact. energy: -0.426
local terms energy: -249.815462
where:
bonds (distance) C4'-P energy: -47.554
bonds (distance) P-C4' energy: -48.440
flat angles C4'-P-C4' energy: -50.661
flat angles P-C4'-P energy: -38.128
tors. eta vs tors. theta energy: -65.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -744.549957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.549957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.549957 (E_RNA)
where:
Base-Base interactions energy: -527.891
where: short stacking energy: -204.925
Base-Backbone interact. energy: -1.951
local terms energy: -214.707199
where:
bonds (distance) C4'-P energy: -48.540
bonds (distance) P-C4' energy: -52.152
flat angles C4'-P-C4' energy: -50.643
flat angles P-C4'-P energy: -20.208
tors. eta vs tors. theta energy: -43.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -648.396765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.396765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.396765 (E_RNA)
where:
Base-Base interactions energy: -439.125
where: short stacking energy: -193.352
Base-Backbone interact. energy: -0.006
local terms energy: -209.265953
where:
bonds (distance) C4'-P energy: -39.899
bonds (distance) P-C4' energy: -53.887
flat angles C4'-P-C4' energy: -43.324
flat angles P-C4'-P energy: -32.553
tors. eta vs tors. theta energy: -39.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -632.832511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.832511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.832511 (E_RNA)
where:
Base-Base interactions energy: -420.931
where: short stacking energy: -169.334
Base-Backbone interact. energy: -0.479
local terms energy: -211.422602
where:
bonds (distance) C4'-P energy: -41.665
bonds (distance) P-C4' energy: -48.749
flat angles C4'-P-C4' energy: -54.099
flat angles P-C4'-P energy: -32.309
tors. eta vs tors. theta energy: -34.601
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: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -512.997228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.997228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.997228 (E_RNA)
where:
Base-Base interactions energy: -336.903
where: short stacking energy: -147.503
Base-Backbone interact. energy: -0.538
local terms energy: -175.556123
where:
bonds (distance) C4'-P energy: -39.022
bonds (distance) P-C4' energy: -48.933
flat angles C4'-P-C4' energy: -38.346
flat angles P-C4'-P energy: -24.503
tors. eta vs tors. theta energy: -24.751
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: 9
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -999.222581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.222581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.222581 (E_RNA)
where:
Base-Base interactions energy: -709.493
where: short stacking energy: -275.336
Base-Backbone interact. energy: -0.999
local terms energy: -288.730420
where:
bonds (distance) C4'-P energy: -59.584
bonds (distance) P-C4' energy: -44.722
flat angles C4'-P-C4' energy: -66.657
flat angles P-C4'-P energy: -40.090
tors. eta vs tors. theta energy: -77.677
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: 5
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -968.899334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.899334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.899334 (E_RNA)
where:
Base-Base interactions energy: -677.588
where: short stacking energy: -276.957
Base-Backbone interact. energy: -0.738
local terms energy: -290.573827
where:
bonds (distance) C4'-P energy: -52.112
bonds (distance) P-C4' energy: -55.171
flat angles C4'-P-C4' energy: -57.250
flat angles P-C4'-P energy: -42.078
tors. eta vs tors. theta energy: -83.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -931.065727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.065727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.065727 (E_RNA)
where:
Base-Base interactions energy: -648.360
where: short stacking energy: -269.885
Base-Backbone interact. energy: 0.292
local terms energy: -282.997995
where:
bonds (distance) C4'-P energy: -45.756
bonds (distance) P-C4' energy: -51.765
flat angles C4'-P-C4' energy: -62.897
flat angles P-C4'-P energy: -41.308
tors. eta vs tors. theta energy: -81.272
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: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -885.308251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.308251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.308251 (E_RNA)
where:
Base-Base interactions energy: -626.207
where: short stacking energy: -240.149
Base-Backbone interact. energy: -1.486
local terms energy: -257.614715
where:
bonds (distance) C4'-P energy: -40.289
bonds (distance) P-C4' energy: -45.760
flat angles C4'-P-C4' energy: -56.499
flat angles P-C4'-P energy: -49.870
tors. eta vs tors. theta energy: -65.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -856.318348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.318348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.318348 (E_RNA)
where:
Base-Base interactions energy: -602.236
where: short stacking energy: -239.259
Base-Backbone interact. energy: -1.008
local terms energy: -253.074444
where:
bonds (distance) C4'-P energy: -41.898
bonds (distance) P-C4' energy: -47.002
flat angles C4'-P-C4' energy: -55.944
flat angles P-C4'-P energy: -41.985
tors. eta vs tors. theta energy: -66.245
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: 2
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -756.574222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.574222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.574222 (E_RNA)
where:
Base-Base interactions energy: -515.901
where: short stacking energy: -226.368
Base-Backbone interact. energy: -1.485
local terms energy: -239.187982
where:
bonds (distance) C4'-P energy: -48.360
bonds (distance) P-C4' energy: -45.163
flat angles C4'-P-C4' energy: -50.874
flat angles P-C4'-P energy: -40.633
tors. eta vs tors. theta energy: -54.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -725.288591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.288591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.288591 (E_RNA)
where:
Base-Base interactions energy: -497.572
where: short stacking energy: -198.509
Base-Backbone interact. energy: 0.881
local terms energy: -228.598125
where:
bonds (distance) C4'-P energy: -42.953
bonds (distance) P-C4' energy: -51.346
flat angles C4'-P-C4' energy: -49.571
flat angles P-C4'-P energy: -33.398
tors. eta vs tors. theta energy: -51.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -702.121577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.121577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.121577 (E_RNA)
where:
Base-Base interactions energy: -489.290
where: short stacking energy: -209.124
Base-Backbone interact. energy: 0.268
local terms energy: -213.099498
where:
bonds (distance) C4'-P energy: -45.890
bonds (distance) P-C4' energy: -41.518
flat angles C4'-P-C4' energy: -47.845
flat angles P-C4'-P energy: -28.209
tors. eta vs tors. theta energy: -49.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -582.824949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.824949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.824949 (E_RNA)
where:
Base-Base interactions energy: -385.029
where: short stacking energy: -165.062
Base-Backbone interact. energy: 4.445
local terms energy: -202.241717
where:
bonds (distance) C4'-P energy: -48.885
bonds (distance) P-C4' energy: -42.818
flat angles C4'-P-C4' energy: -42.005
flat angles P-C4'-P energy: -38.971
tors. eta vs tors. theta energy: -29.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -487.741784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.741784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.741784 (E_RNA)
where:
Base-Base interactions energy: -325.444
where: short stacking energy: -141.972
Base-Backbone interact. energy: -0.717
local terms energy: -161.581105
where:
bonds (distance) C4'-P energy: -27.277
bonds (distance) P-C4' energy: -41.949
flat angles C4'-P-C4' energy: -39.253
flat angles P-C4'-P energy: -21.359
tors. eta vs tors. theta energy: -31.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -973.409545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.409545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.409545 (E_RNA)
where:
Base-Base interactions energy: -692.145
where: short stacking energy: -285.025
Base-Backbone interact. energy: -1.110
local terms energy: -280.155013
where:
bonds (distance) C4'-P energy: -60.095
bonds (distance) P-C4' energy: -43.864
flat angles C4'-P-C4' energy: -56.059
flat angles P-C4'-P energy: -40.202
tors. eta vs tors. theta energy: -79.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -952.744086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.744086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.744086 (E_RNA)
where:
Base-Base interactions energy: -681.350
where: short stacking energy: -262.527
Base-Backbone interact. energy: -0.298
local terms energy: -271.096409
where:
bonds (distance) C4'-P energy: -50.305
bonds (distance) P-C4' energy: -50.326
flat angles C4'-P-C4' energy: -54.678
flat angles P-C4'-P energy: -38.384
tors. eta vs tors. theta energy: -77.402
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: 1
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -918.201123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.201123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.201123 (E_RNA)
where:
Base-Base interactions energy: -653.992
where: short stacking energy: -264.366
Base-Backbone interact. energy: -0.500
local terms energy: -263.709186
where:
bonds (distance) C4'-P energy: -50.158
bonds (distance) P-C4' energy: -47.696
flat angles C4'-P-C4' energy: -51.185
flat angles P-C4'-P energy: -42.321
tors. eta vs tors. theta energy: -72.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -885.778719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.778719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.778719 (E_RNA)
where:
Base-Base interactions energy: -618.079
where: short stacking energy: -227.166
Base-Backbone interact. energy: -0.849
local terms energy: -266.850764
where:
bonds (distance) C4'-P energy: -48.956
bonds (distance) P-C4' energy: -58.495
flat angles C4'-P-C4' energy: -55.125
flat angles P-C4'-P energy: -34.449
tors. eta vs tors. theta energy: -69.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -863.963283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.963283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.963283 (E_RNA)
where:
Base-Base interactions energy: -599.616
where: short stacking energy: -244.304
Base-Backbone interact. energy: -0.229
local terms energy: -264.118767
where:
bonds (distance) C4'-P energy: -53.950
bonds (distance) P-C4' energy: -48.492
flat angles C4'-P-C4' energy: -54.676
flat angles P-C4'-P energy: -37.623
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: 6, replica: 2
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -745.926543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.926543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.926543 (E_RNA)
where:
Base-Base interactions energy: -509.889
where: short stacking energy: -211.025
Base-Backbone interact. energy: -0.387
local terms energy: -235.649890
where:
bonds (distance) C4'-P energy: -42.384
bonds (distance) P-C4' energy: -51.932
flat angles C4'-P-C4' energy: -46.517
flat angles P-C4'-P energy: -33.113
tors. eta vs tors. theta energy: -61.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -713.150090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.150090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.150090 (E_RNA)
where:
Base-Base interactions energy: -495.228
where: short stacking energy: -202.446
Base-Backbone interact. energy: 0.711
local terms energy: -218.633430
where:
bonds (distance) C4'-P energy: -41.178
bonds (distance) P-C4' energy: -44.099
flat angles C4'-P-C4' energy: -52.139
flat angles P-C4'-P energy: -30.753
tors. eta vs tors. theta energy: -50.465
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: 409
Temperature: 1.250000
Total energy: -718.381510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.381510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.381510 (E_RNA)
where:
Base-Base interactions energy: -485.227
where: short stacking energy: -204.542
Base-Backbone interact. energy: -1.459
local terms energy: -231.695250
where:
bonds (distance) C4'-P energy: -48.766
bonds (distance) P-C4' energy: -48.611
flat angles C4'-P-C4' energy: -52.475
flat angles P-C4'-P energy: -30.494
tors. eta vs tors. theta energy: -51.350
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: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -577.778323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.778323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.778323 (E_RNA)
where:
Base-Base interactions energy: -374.312
where: short stacking energy: -154.413
Base-Backbone interact. energy: 2.060
local terms energy: -205.526674
where:
bonds (distance) C4'-P energy: -48.858
bonds (distance) P-C4' energy: -41.690
flat angles C4'-P-C4' energy: -48.164
flat angles P-C4'-P energy: -34.919
tors. eta vs tors. theta energy: -31.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -508.602683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.602683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.602683 (E_RNA)
where:
Base-Base interactions energy: -325.345
where: short stacking energy: -133.225
Base-Backbone interact. energy: -0.758
local terms energy: -182.499946
where:
bonds (distance) C4'-P energy: -49.639
bonds (distance) P-C4' energy: -38.496
flat angles C4'-P-C4' energy: -49.823
flat angles P-C4'-P energy: -23.596
tors. eta vs tors. theta energy: -20.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -976.341606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.341606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.341606 (E_RNA)
where:
Base-Base interactions energy: -681.316
where: short stacking energy: -275.511
Base-Backbone interact. energy: 0.187
local terms energy: -295.212507
where:
bonds (distance) C4'-P energy: -54.683
bonds (distance) P-C4' energy: -54.109
flat angles C4'-P-C4' energy: -61.673
flat angles P-C4'-P energy: -45.090
tors. eta vs tors. theta energy: -79.658
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: 2, replica: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -964.252981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.252981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.252981 (E_RNA)
where:
Base-Base interactions energy: -695.489
where: short stacking energy: -286.021
Base-Backbone interact. energy: 1.977
local terms energy: -270.740560
where:
bonds (distance) C4'-P energy: -53.484
bonds (distance) P-C4' energy: -46.259
flat angles C4'-P-C4' energy: -58.600
flat angles P-C4'-P energy: -34.574
tors. eta vs tors. theta energy: -77.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -903.274776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.274776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.274776 (E_RNA)
where:
Base-Base interactions energy: -638.390
where: short stacking energy: -266.737
Base-Backbone interact. energy: -2.145
local terms energy: -262.739739
where:
bonds (distance) C4'-P energy: -48.324
bonds (distance) P-C4' energy: -42.517
flat angles C4'-P-C4' energy: -59.340
flat angles P-C4'-P energy: -38.730
tors. eta vs tors. theta energy: -73.830
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: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -883.803391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.803391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.803391 (E_RNA)
where:
Base-Base interactions energy: -627.450
where: short stacking energy: -252.608
Base-Backbone interact. energy: -2.362
local terms energy: -253.992109
where:
bonds (distance) C4'-P energy: -44.705
bonds (distance) P-C4' energy: -42.059
flat angles C4'-P-C4' energy: -59.274
flat angles P-C4'-P energy: -34.499
tors. eta vs tors. theta energy: -73.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -818.572747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.572747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.572747 (E_RNA)
where:
Base-Base interactions energy: -591.699
where: short stacking energy: -219.860
Base-Backbone interact. energy: 0.437
local terms energy: -227.310109
where:
bonds (distance) C4'-P energy: -35.941
bonds (distance) P-C4' energy: -47.157
flat angles C4'-P-C4' energy: -45.843
flat angles P-C4'-P energy: -39.700
tors. eta vs tors. theta energy: -58.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -750.755682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.755682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.755682 (E_RNA)
where:
Base-Base interactions energy: -506.900
where: short stacking energy: -213.190
Base-Backbone interact. energy: -0.234
local terms energy: -243.621693
where:
bonds (distance) C4'-P energy: -47.440
bonds (distance) P-C4' energy: -47.841
flat angles C4'-P-C4' energy: -51.564
flat angles P-C4'-P energy: -39.353
tors. eta vs tors. theta energy: -57.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -747.020586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.020586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.020586 (E_RNA)
where:
Base-Base interactions energy: -514.921
where: short stacking energy: -215.212
Base-Backbone interact. energy: -0.981
local terms energy: -231.117891
where:
bonds (distance) C4'-P energy: -51.853
bonds (distance) P-C4' energy: -40.805
flat angles C4'-P-C4' energy: -51.643
flat angles P-C4'-P energy: -26.502
tors. eta vs tors. theta energy: -60.315
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: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -721.552229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.552229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.552229 (E_RNA)
where:
Base-Base interactions energy: -505.407
where: short stacking energy: -198.198
Base-Backbone interact. energy: -3.094
local terms energy: -213.051617
where:
bonds (distance) C4'-P energy: -39.436
bonds (distance) P-C4' energy: -38.671
flat angles C4'-P-C4' energy: -52.474
flat angles P-C4'-P energy: -31.810
tors. eta vs tors. theta energy: -50.660
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: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -592.178910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.178910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.178910 (E_RNA)
where:
Base-Base interactions energy: -406.299
where: short stacking energy: -184.430
Base-Backbone interact. energy: 1.437
local terms energy: -187.317117
where:
bonds (distance) C4'-P energy: -38.355
bonds (distance) P-C4' energy: -45.683
flat angles C4'-P-C4' energy: -38.892
flat angles P-C4'-P energy: -22.697
tors. eta vs tors. theta energy: -41.690
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: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -515.128703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.128703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.128703 (E_RNA)
where:
Base-Base interactions energy: -323.739
where: short stacking energy: -132.873
Base-Backbone interact. energy: -0.905
local terms energy: -190.485326
where:
bonds (distance) C4'-P energy: -41.957
bonds (distance) P-C4' energy: -42.717
flat angles C4'-P-C4' energy: -53.661
flat angles P-C4'-P energy: -22.246
tors. eta vs tors. theta energy: -29.906
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: 1, replica: 9
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -971.502547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.502547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.502547 (E_RNA)
where:
Base-Base interactions energy: -695.347
where: short stacking energy: -272.503
Base-Backbone interact. energy: 2.674
local terms energy: -278.829221
where:
bonds (distance) C4'-P energy: -46.918
bonds (distance) P-C4' energy: -56.619
flat angles C4'-P-C4' energy: -57.761
flat angles P-C4'-P energy: -42.129
tors. eta vs tors. theta energy: -75.401
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: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -973.956997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.956997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.956997 (E_RNA)
where:
Base-Base interactions energy: -676.565
where: short stacking energy: -275.100
Base-Backbone interact. energy: -0.746
local terms energy: -296.645955
where:
bonds (distance) C4'-P energy: -50.084
bonds (distance) P-C4' energy: -53.037
flat angles C4'-P-C4' energy: -61.751
flat angles P-C4'-P energy: -45.482
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: 3, replica: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -911.180134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.180134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.180134 (E_RNA)
where:
Base-Base interactions energy: -632.056
where: short stacking energy: -258.608
Base-Backbone interact. energy: -1.165
local terms energy: -277.958765
where:
bonds (distance) C4'-P energy: -53.277
bonds (distance) P-C4' energy: -54.084
flat angles C4'-P-C4' energy: -53.217
flat angles P-C4'-P energy: -41.608
tors. eta vs tors. theta energy: -75.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -878.799190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.799190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.799190 (E_RNA)
where:
Base-Base interactions energy: -628.838
where: short stacking energy: -242.563
Base-Backbone interact. energy: 0.812
local terms energy: -250.773090
where:
bonds (distance) C4'-P energy: -49.154
bonds (distance) P-C4' energy: -49.625
flat angles C4'-P-C4' energy: -60.334
flat angles P-C4'-P energy: -28.263
tors. eta vs tors. theta energy: -63.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -840.187280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.187280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.187280 (E_RNA)
where:
Base-Base interactions energy: -579.418
where: short stacking energy: -230.150
Base-Backbone interact. energy: -1.407
local terms energy: -259.363035
where:
bonds (distance) C4'-P energy: -41.553
bonds (distance) P-C4' energy: -54.878
flat angles C4'-P-C4' energy: -57.130
flat angles P-C4'-P energy: -40.848
tors. eta vs tors. theta energy: -64.955
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: 7
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -767.403587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.403587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.403587 (E_RNA)
where:
Base-Base interactions energy: -509.921
where: short stacking energy: -217.378
Base-Backbone interact. energy: -1.137
local terms energy: -256.346359
where:
bonds (distance) C4'-P energy: -47.833
bonds (distance) P-C4' energy: -55.354
flat angles C4'-P-C4' energy: -51.903
flat angles P-C4'-P energy: -38.512
tors. eta vs tors. theta energy: -62.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -743.989675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.989675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.989675 (E_RNA)
where:
Base-Base interactions energy: -505.544
where: short stacking energy: -223.286
Base-Backbone interact. energy: -1.271
local terms energy: -237.174981
where:
bonds (distance) C4'-P energy: -48.509
bonds (distance) P-C4' energy: -34.697
flat angles C4'-P-C4' energy: -58.808
flat angles P-C4'-P energy: -34.402
tors. eta vs tors. theta energy: -60.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -741.185439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.185439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.185439 (E_RNA)
where:
Base-Base interactions energy: -511.152
where: short stacking energy: -208.287
Base-Backbone interact. energy: -0.156
local terms energy: -229.878122
where:
bonds (distance) C4'-P energy: -48.293
bonds (distance) P-C4' energy: -47.455
flat angles C4'-P-C4' energy: -50.801
flat angles P-C4'-P energy: -34.245
tors. eta vs tors. theta energy: -49.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -606.927501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.927501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.927501 (E_RNA)
where:
Base-Base interactions energy: -423.979
where: short stacking energy: -182.524
Base-Backbone interact. energy: -1.052
local terms energy: -181.896225
where:
bonds (distance) C4'-P energy: -42.005
bonds (distance) P-C4' energy: -37.875
flat angles C4'-P-C4' energy: -36.515
flat angles P-C4'-P energy: -29.061
tors. eta vs tors. theta energy: -36.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -479.527542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.527542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.527542 (E_RNA)
where:
Base-Base interactions energy: -279.485
where: short stacking energy: -127.691
Base-Backbone interact. energy: 0.987
local terms energy: -201.028884
where:
bonds (distance) C4'-P energy: -51.280
bonds (distance) P-C4' energy: -47.910
flat angles C4'-P-C4' energy: -52.943
flat angles P-C4'-P energy: -31.286
tors. eta vs tors. theta energy: -17.610
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: 1, replica: 5
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -970.928521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.928521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.928521 (E_RNA)
where:
Base-Base interactions energy: -677.693
where: short stacking energy: -263.684
Base-Backbone interact. energy: -1.452
local terms energy: -291.783736
where:
bonds (distance) C4'-P energy: -52.495
bonds (distance) P-C4' energy: -56.124
flat angles C4'-P-C4' energy: -57.146
flat angles P-C4'-P energy: -44.789
tors. eta vs tors. theta energy: -81.230
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: 9
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -975.302541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.302541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.302541 (E_RNA)
where:
Base-Base interactions energy: -706.213
where: short stacking energy: -275.163
Base-Backbone interact. energy: -0.345
local terms energy: -268.744385
where:
bonds (distance) C4'-P energy: -48.002
bonds (distance) P-C4' energy: -41.883
flat angles C4'-P-C4' energy: -63.907
flat angles P-C4'-P energy: -42.447
tors. eta vs tors. theta energy: -72.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -920.160540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.160540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.160540 (E_RNA)
where:
Base-Base interactions energy: -635.677
where: short stacking energy: -267.637
Base-Backbone interact. energy: -1.491
local terms energy: -282.992554
where:
bonds (distance) C4'-P energy: -49.410
bonds (distance) P-C4' energy: -55.958
flat angles C4'-P-C4' energy: -59.893
flat angles P-C4'-P energy: -39.162
tors. eta vs tors. theta energy: -78.570
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: 412
Temperature: 1.050000
Total energy: -886.397971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.397971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.397971 (E_RNA)
where:
Base-Base interactions energy: -627.313
where: short stacking energy: -258.939
Base-Backbone interact. energy: -1.085
local terms energy: -257.999628
where:
bonds (distance) C4'-P energy: -45.526
bonds (distance) P-C4' energy: -51.561
flat angles C4'-P-C4' energy: -54.093
flat angles P-C4'-P energy: -35.304
tors. eta vs tors. theta energy: -71.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -853.363886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.363886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.363886 (E_RNA)
where:
Base-Base interactions energy: -607.321
where: short stacking energy: -231.103
Base-Backbone interact. energy: 1.062
local terms energy: -247.105415
where:
bonds (distance) C4'-P energy: -48.095
bonds (distance) P-C4' energy: -50.651
flat angles C4'-P-C4' energy: -53.895
flat angles P-C4'-P energy: -33.757
tors. eta vs tors. theta energy: -60.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -789.540315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.540315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.540315 (E_RNA)
where:
Base-Base interactions energy: -534.660
where: short stacking energy: -232.923
Base-Backbone interact. energy: -0.862
local terms energy: -254.018101
where:
bonds (distance) C4'-P energy: -48.452
bonds (distance) P-C4' energy: -45.227
flat angles C4'-P-C4' energy: -53.729
flat angles P-C4'-P energy: -41.308
tors. eta vs tors. theta energy: -65.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -725.411721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.411721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.411721 (E_RNA)
where:
Base-Base interactions energy: -497.892
where: short stacking energy: -210.098
Base-Backbone interact. energy: -1.426
local terms energy: -226.093166
where:
bonds (distance) C4'-P energy: -41.539
bonds (distance) P-C4' energy: -54.817
flat angles C4'-P-C4' energy: -46.527
flat angles P-C4'-P energy: -31.678
tors. eta vs tors. theta energy: -51.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -681.385222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.385222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.385222 (E_RNA)
where:
Base-Base interactions energy: -440.182
where: short stacking energy: -183.633
Base-Backbone interact. energy: -3.212
local terms energy: -237.991381
where:
bonds (distance) C4'-P energy: -46.812
bonds (distance) P-C4' energy: -59.648
flat angles C4'-P-C4' energy: -40.090
flat angles P-C4'-P energy: -39.686
tors. eta vs tors. theta energy: -51.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -528.411274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.411274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.411274 (E_RNA)
where:
Base-Base interactions energy: -327.797
where: short stacking energy: -144.521
Base-Backbone interact. energy: -0.797
local terms energy: -199.816909
where:
bonds (distance) C4'-P energy: -45.729
bonds (distance) P-C4' energy: -43.679
flat angles C4'-P-C4' energy: -53.724
flat angles P-C4'-P energy: -26.448
tors. eta vs tors. theta energy: -30.237
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: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -607.742091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.742091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.742091 (E_RNA)
where:
Base-Base interactions energy: -413.136
where: short stacking energy: -168.819
Base-Backbone interact. energy: 3.776
local terms energy: -198.382347
where:
bonds (distance) C4'-P energy: -40.899
bonds (distance) P-C4' energy: -48.513
flat angles C4'-P-C4' energy: -49.612
flat angles P-C4'-P energy: -25.324
tors. eta vs tors. theta energy: -34.034
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: 5
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -980.119924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.119924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.119924 (E_RNA)
where:
Base-Base interactions energy: -690.134
where: short stacking energy: -278.196
Base-Backbone interact. energy: -1.833
local terms energy: -288.153580
where:
bonds (distance) C4'-P energy: -49.237
bonds (distance) P-C4' energy: -60.662
flat angles C4'-P-C4' energy: -59.270
flat angles P-C4'-P energy: -44.330
tors. eta vs tors. theta energy: -74.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -954.956409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.956409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.956409 (E_RNA)
where:
Base-Base interactions energy: -677.747
where: short stacking energy: -265.890
Base-Backbone interact. energy: -1.646
local terms energy: -275.564088
where:
bonds (distance) C4'-P energy: -51.991
bonds (distance) P-C4' energy: -47.724
flat angles C4'-P-C4' energy: -63.317
flat angles P-C4'-P energy: -38.499
tors. eta vs tors. theta energy: -74.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -934.094735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.094735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.094735 (E_RNA)
where:
Base-Base interactions energy: -648.847
where: short stacking energy: -268.251
Base-Backbone interact. energy: -1.687
local terms energy: -283.560740
where:
bonds (distance) C4'-P energy: -56.367
bonds (distance) P-C4' energy: -49.208
flat angles C4'-P-C4' energy: -63.106
flat angles P-C4'-P energy: -39.868
tors. eta vs tors. theta energy: -75.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -896.405601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.405601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.405601 (E_RNA)
where:
Base-Base interactions energy: -631.740
where: short stacking energy: -258.603
Base-Backbone interact. energy: 0.441
local terms energy: -265.107267
where:
bonds (distance) C4'-P energy: -51.186
bonds (distance) P-C4' energy: -48.852
flat angles C4'-P-C4' energy: -56.125
flat angles P-C4'-P energy: -34.773
tors. eta vs tors. theta energy: -74.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -860.382545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.382545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.382545 (E_RNA)
where:
Base-Base interactions energy: -605.607
where: short stacking energy: -261.585
Base-Backbone interact. energy: -0.694
local terms energy: -254.081540
where:
bonds (distance) C4'-P energy: -35.472
bonds (distance) P-C4' energy: -53.273
flat angles C4'-P-C4' energy: -55.834
flat angles P-C4'-P energy: -38.290
tors. eta vs tors. theta energy: -71.213
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: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -794.155650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.155650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.155650 (E_RNA)
where:
Base-Base interactions energy: -540.530
where: short stacking energy: -226.055
Base-Backbone interact. energy: -1.089
local terms energy: -252.537381
where:
bonds (distance) C4'-P energy: -54.572
bonds (distance) P-C4' energy: -47.371
flat angles C4'-P-C4' energy: -56.307
flat angles P-C4'-P energy: -35.806
tors. eta vs tors. theta energy: -58.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -723.628692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.628692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.628692 (E_RNA)
where:
Base-Base interactions energy: -505.786
where: short stacking energy: -230.187
Base-Backbone interact. energy: 0.769
local terms energy: -218.611866
where:
bonds (distance) C4'-P energy: -43.674
bonds (distance) P-C4' energy: -43.192
flat angles C4'-P-C4' energy: -37.490
flat angles P-C4'-P energy: -36.250
tors. eta vs tors. theta energy: -58.006
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: 6
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -674.877381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.877381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.877381 (E_RNA)
where:
Base-Base interactions energy: -451.914
where: short stacking energy: -184.198
Base-Backbone interact. energy: -2.235
local terms energy: -220.727673
where:
bonds (distance) C4'-P energy: -41.507
bonds (distance) P-C4' energy: -50.118
flat angles C4'-P-C4' energy: -51.399
flat angles P-C4'-P energy: -38.690
tors. eta vs tors. theta energy: -39.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -522.648660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.648660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.648660 (E_RNA)
where:
Base-Base interactions energy: -326.947
where: short stacking energy: -165.045
Base-Backbone interact. energy: -0.696
local terms energy: -195.005669
where:
bonds (distance) C4'-P energy: -48.871
bonds (distance) P-C4' energy: -36.356
flat angles C4'-P-C4' energy: -44.814
flat angles P-C4'-P energy: -37.481
tors. eta vs tors. theta energy: -27.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -577.487148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.487148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.487148 (E_RNA)
where:
Base-Base interactions energy: -398.171
where: short stacking energy: -162.039
Base-Backbone interact. energy: 1.215
local terms energy: -180.531083
where:
bonds (distance) C4'-P energy: -43.090
bonds (distance) P-C4' energy: -34.771
flat angles C4'-P-C4' energy: -37.644
flat angles P-C4'-P energy: -34.040
tors. eta vs tors. theta energy: -30.986
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: 1, replica: 5
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -981.702806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.702806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.702806 (E_RNA)
where:
Base-Base interactions energy: -682.188
where: short stacking energy: -273.729
Base-Backbone interact. energy: -2.353
local terms energy: -297.161769
where:
bonds (distance) C4'-P energy: -51.927
bonds (distance) P-C4' energy: -54.517
flat angles C4'-P-C4' energy: -61.801
flat angles P-C4'-P energy: -45.952
tors. eta vs tors. theta energy: -82.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -966.169315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.169315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.169315 (E_RNA)
where:
Base-Base interactions energy: -690.769
where: short stacking energy: -268.571
Base-Backbone interact. energy: -0.572
local terms energy: -274.827696
where:
bonds (distance) C4'-P energy: -53.611
bonds (distance) P-C4' energy: -57.398
flat angles C4'-P-C4' energy: -54.714
flat angles P-C4'-P energy: -33.627
tors. eta vs tors. theta energy: -75.478
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: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -932.460602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.460602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.460602 (E_RNA)
where:
Base-Base interactions energy: -642.802
where: short stacking energy: -266.807
Base-Backbone interact. energy: -2.229
local terms energy: -287.430071
where:
bonds (distance) C4'-P energy: -51.835
bonds (distance) P-C4' energy: -48.091
flat angles C4'-P-C4' energy: -62.595
flat angles P-C4'-P energy: -46.604
tors. eta vs tors. theta energy: -78.305
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: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -884.662060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.662060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.662060 (E_RNA)
where:
Base-Base interactions energy: -622.839
where: short stacking energy: -257.219
Base-Backbone interact. energy: -0.955
local terms energy: -260.868228
where:
bonds (distance) C4'-P energy: -51.652
bonds (distance) P-C4' energy: -41.864
flat angles C4'-P-C4' energy: -59.342
flat angles P-C4'-P energy: -36.201
tors. eta vs tors. theta energy: -71.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -791.428186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.428186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.428186 (E_RNA)
where:
Base-Base interactions energy: -554.482
where: short stacking energy: -232.404
Base-Backbone interact. energy: -1.557
local terms energy: -235.389435
where:
bonds (distance) C4'-P energy: -44.508
bonds (distance) P-C4' energy: -44.972
flat angles C4'-P-C4' energy: -57.529
flat angles P-C4'-P energy: -36.985
tors. eta vs tors. theta energy: -51.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -819.997234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.997234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.997234 (E_RNA)
where:
Base-Base interactions energy: -562.667
where: short stacking energy: -218.198
Base-Backbone interact. energy: -0.535
local terms energy: -256.795264
where:
bonds (distance) C4'-P energy: -52.573
bonds (distance) P-C4' energy: -55.812
flat angles C4'-P-C4' energy: -54.225
flat angles P-C4'-P energy: -33.607
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: 7, replica: 2
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -734.876946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.876946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.876946 (E_RNA)
where:
Base-Base interactions energy: -502.362
where: short stacking energy: -204.860
Base-Backbone interact. energy: -1.594
local terms energy: -230.921225
where:
bonds (distance) C4'-P energy: -43.284
bonds (distance) P-C4' energy: -40.713
flat angles C4'-P-C4' energy: -52.574
flat angles P-C4'-P energy: -33.968
tors. eta vs tors. theta energy: -60.382
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: 6
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -676.314635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.314635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.314635 (E_RNA)
where:
Base-Base interactions energy: -467.380
where: short stacking energy: -176.721
Base-Backbone interact. energy: 0.697
local terms energy: -209.631930
where:
bonds (distance) C4'-P energy: -47.689
bonds (distance) P-C4' energy: -45.494
flat angles C4'-P-C4' energy: -47.146
flat angles P-C4'-P energy: -33.251
tors. eta vs tors. theta energy: -36.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -618.767218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.767218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.767218 (E_RNA)
where:
Base-Base interactions energy: -408.949
where: short stacking energy: -175.907
Base-Backbone interact. energy: -1.925
local terms energy: -207.893276
where:
bonds (distance) C4'-P energy: -45.482
bonds (distance) P-C4' energy: -34.196
flat angles C4'-P-C4' energy: -56.607
flat angles P-C4'-P energy: -34.599
tors. eta vs tors. theta energy: -37.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -518.815875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.815875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.815875 (E_RNA)
where:
Base-Base interactions energy: -341.242
where: short stacking energy: -147.716
Base-Backbone interact. energy: -1.954
local terms energy: -175.620022
where:
bonds (distance) C4'-P energy: -32.125
bonds (distance) P-C4' energy: -44.486
flat angles C4'-P-C4' energy: -45.855
flat angles P-C4'-P energy: -27.055
tors. eta vs tors. theta energy: -26.099
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: 5
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -974.758372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.758372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.758372 (E_RNA)
where:
Base-Base interactions energy: -673.506
where: short stacking energy: -275.794
Base-Backbone interact. energy: -3.247
local terms energy: -298.005456
where:
bonds (distance) C4'-P energy: -53.413
bonds (distance) P-C4' energy: -63.759
flat angles C4'-P-C4' energy: -55.058
flat angles P-C4'-P energy: -44.228
tors. eta vs tors. theta energy: -81.546
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: 1
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -933.882236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.882236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.882236 (E_RNA)
where:
Base-Base interactions energy: -649.302
where: short stacking energy: -266.568
Base-Backbone interact. energy: -0.647
local terms energy: -283.934002
where:
bonds (distance) C4'-P energy: -54.203
bonds (distance) P-C4' energy: -55.005
flat angles C4'-P-C4' energy: -54.388
flat angles P-C4'-P energy: -43.861
tors. eta vs tors. theta energy: -76.477
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: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -950.132151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.132151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.132151 (E_RNA)
where:
Base-Base interactions energy: -675.416
where: short stacking energy: -261.330
Base-Backbone interact. energy: -0.386
local terms energy: -274.329878
where:
bonds (distance) C4'-P energy: -51.178
bonds (distance) P-C4' energy: -42.724
flat angles C4'-P-C4' energy: -61.503
flat angles P-C4'-P energy: -45.384
tors. eta vs tors. theta energy: -73.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -911.400366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.400366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.400366 (E_RNA)
where:
Base-Base interactions energy: -639.888
where: short stacking energy: -255.784
Base-Backbone interact. energy: -0.938
local terms energy: -270.574331
where:
bonds (distance) C4'-P energy: -48.909
bonds (distance) P-C4' energy: -54.665
flat angles C4'-P-C4' energy: -53.765
flat angles P-C4'-P energy: -34.886
tors. eta vs tors. theta energy: -78.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -815.902740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.902740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.902740 (E_RNA)
where:
Base-Base interactions energy: -550.596
where: short stacking energy: -213.697
Base-Backbone interact. energy: -0.815
local terms energy: -264.491811
where:
bonds (distance) C4'-P energy: -55.276
bonds (distance) P-C4' energy: -52.499
flat angles C4'-P-C4' energy: -46.213
flat angles P-C4'-P energy: -37.257
tors. eta vs tors. theta energy: -73.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -737.531766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.531766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.531766 (E_RNA)
where:
Base-Base interactions energy: -502.485
where: short stacking energy: -223.962
Base-Backbone interact. energy: -1.166
local terms energy: -233.881045
where:
bonds (distance) C4'-P energy: -47.414
bonds (distance) P-C4' energy: -43.456
flat angles C4'-P-C4' energy: -52.384
flat angles P-C4'-P energy: -35.133
tors. eta vs tors. theta energy: -55.493
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: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -783.236895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.236895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.236895 (E_RNA)
where:
Base-Base interactions energy: -549.144
where: short stacking energy: -229.579
Base-Backbone interact. energy: 2.346
local terms energy: -236.438455
where:
bonds (distance) C4'-P energy: -38.226
bonds (distance) P-C4' energy: -57.345
flat angles C4'-P-C4' energy: -45.613
flat angles P-C4'-P energy: -35.275
tors. eta vs tors. theta energy: -59.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -654.795668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.795668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.795668 (E_RNA)
where:
Base-Base interactions energy: -470.395
where: short stacking energy: -189.719
Base-Backbone interact. energy: 4.622
local terms energy: -189.022631
where:
bonds (distance) C4'-P energy: -49.145
bonds (distance) P-C4' energy: -43.344
flat angles C4'-P-C4' energy: -37.881
flat angles P-C4'-P energy: -22.525
tors. eta vs tors. theta energy: -36.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -595.840927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.840927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.840927 (E_RNA)
where:
Base-Base interactions energy: -394.419
where: short stacking energy: -177.276
Base-Backbone interact. energy: -0.682
local terms energy: -200.739593
where:
bonds (distance) C4'-P energy: -46.887
bonds (distance) P-C4' energy: -48.160
flat angles C4'-P-C4' energy: -50.214
flat angles P-C4'-P energy: -33.422
tors. eta vs tors. theta energy: -22.057
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: 3
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -467.618846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.618846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.618846 (E_RNA)
where:
Base-Base interactions energy: -286.997
where: short stacking energy: -134.241
Base-Backbone interact. energy: 1.292
local terms energy: -181.913878
where:
bonds (distance) C4'-P energy: -30.316
bonds (distance) P-C4' energy: -49.605
flat angles C4'-P-C4' energy: -46.372
flat angles P-C4'-P energy: -30.677
tors. eta vs tors. theta energy: -24.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -971.109944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.109944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.109944 (E_RNA)
where:
Base-Base interactions energy: -682.687
where: short stacking energy: -279.295
Base-Backbone interact. energy: -1.442
local terms energy: -286.981224
where:
bonds (distance) C4'-P energy: -54.141
bonds (distance) P-C4' energy: -55.933
flat angles C4'-P-C4' energy: -60.817
flat angles P-C4'-P energy: -42.127
tors. eta vs tors. theta energy: -73.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -926.749786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.749786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.749786 (E_RNA)
where:
Base-Base interactions energy: -661.366
where: short stacking energy: -256.637
Base-Backbone interact. energy: -0.499
local terms energy: -264.884418
where:
bonds (distance) C4'-P energy: -52.340
bonds (distance) P-C4' energy: -46.624
flat angles C4'-P-C4' energy: -52.884
flat angles P-C4'-P energy: -34.632
tors. eta vs tors. theta energy: -78.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -931.753639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.753639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.753639 (E_RNA)
where:
Base-Base interactions energy: -640.960
where: short stacking energy: -262.776
Base-Backbone interact. energy: -1.680
local terms energy: -289.113029
where:
bonds (distance) C4'-P energy: -54.541
bonds (distance) P-C4' energy: -55.624
flat angles C4'-P-C4' energy: -61.483
flat angles P-C4'-P energy: -41.177
tors. eta vs tors. theta energy: -76.288
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: 9
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -904.233486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.233486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.233486 (E_RNA)
where:
Base-Base interactions energy: -643.922
where: short stacking energy: -263.836
Base-Backbone interact. energy: -0.057
local terms energy: -260.254110
where:
bonds (distance) C4'-P energy: -57.917
bonds (distance) P-C4' energy: -50.578
flat angles C4'-P-C4' energy: -48.730
flat angles P-C4'-P energy: -32.661
tors. eta vs tors. theta energy: -70.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -804.637458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.637458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.637458 (E_RNA)
where:
Base-Base interactions energy: -566.199
where: short stacking energy: -220.739
Base-Backbone interact. energy: -1.036
local terms energy: -237.402531
where:
bonds (distance) C4'-P energy: -43.828
bonds (distance) P-C4' energy: -45.324
flat angles C4'-P-C4' energy: -51.635
flat angles P-C4'-P energy: -34.701
tors. eta vs tors. theta energy: -61.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -760.329815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.329815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.329815 (E_RNA)
where:
Base-Base interactions energy: -506.396
where: short stacking energy: -222.537
Base-Backbone interact. energy: -0.063
local terms energy: -253.870802
where:
bonds (distance) C4'-P energy: -41.360
bonds (distance) P-C4' energy: -54.298
flat angles C4'-P-C4' energy: -58.810
flat angles P-C4'-P energy: -43.740
tors. eta vs tors. theta energy: -55.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -744.482309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.482309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.482309 (E_RNA)
where:
Base-Base interactions energy: -525.156
where: short stacking energy: -211.612
Base-Backbone interact. energy: -1.139
local terms energy: -218.187219
where:
bonds (distance) C4'-P energy: -42.220
bonds (distance) P-C4' energy: -42.337
flat angles C4'-P-C4' energy: -45.497
flat angles P-C4'-P energy: -32.170
tors. eta vs tors. theta energy: -55.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -658.387020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.387020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.387020 (E_RNA)
where:
Base-Base interactions energy: -467.375
where: short stacking energy: -177.160
Base-Backbone interact. energy: 4.329
local terms energy: -195.341920
where:
bonds (distance) C4'-P energy: -44.063
bonds (distance) P-C4' energy: -45.794
flat angles C4'-P-C4' energy: -48.862
flat angles P-C4'-P energy: -29.446
tors. eta vs tors. theta energy: -27.177
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: 8
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -564.866421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.866421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.866421 (E_RNA)
where:
Base-Base interactions energy: -380.819
where: short stacking energy: -157.708
Base-Backbone interact. energy: -0.905
local terms energy: -183.142448
where:
bonds (distance) C4'-P energy: -50.536
bonds (distance) P-C4' energy: -40.868
flat angles C4'-P-C4' energy: -35.568
flat angles P-C4'-P energy: -25.651
tors. eta vs tors. theta energy: -30.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -464.821794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.821794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.821794 (E_RNA)
where:
Base-Base interactions energy: -275.749
where: short stacking energy: -129.258
Base-Backbone interact. energy: -0.600
local terms energy: -188.473544
where:
bonds (distance) C4'-P energy: -44.824
bonds (distance) P-C4' energy: -42.046
flat angles C4'-P-C4' energy: -46.856
flat angles P-C4'-P energy: -31.234
tors. eta vs tors. theta energy: -23.513
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: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -977.456006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.456006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.456006 (E_RNA)
where:
Base-Base interactions energy: -687.727
where: short stacking energy: -285.559
Base-Backbone interact. energy: 1.335
local terms energy: -291.063415
where:
bonds (distance) C4'-P energy: -50.872
bonds (distance) P-C4' energy: -48.988
flat angles C4'-P-C4' energy: -63.083
flat angles P-C4'-P energy: -44.007
tors. eta vs tors. theta energy: -84.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -918.617534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.617534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.617534 (E_RNA)
where:
Base-Base interactions energy: -650.195
where: short stacking energy: -273.408
Base-Backbone interact. energy: -0.498
local terms energy: -267.923862
where:
bonds (distance) C4'-P energy: -49.695
bonds (distance) P-C4' energy: -55.260
flat angles C4'-P-C4' energy: -48.235
flat angles P-C4'-P energy: -39.501
tors. eta vs tors. theta energy: -75.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -955.359095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.359095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.359095 (E_RNA)
where:
Base-Base interactions energy: -672.374
where: short stacking energy: -265.590
Base-Backbone interact. energy: -0.127
local terms energy: -282.858386
where:
bonds (distance) C4'-P energy: -47.397
bonds (distance) P-C4' energy: -54.720
flat angles C4'-P-C4' energy: -65.131
flat angles P-C4'-P energy: -37.412
tors. eta vs tors. theta energy: -78.199
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: 9
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -902.006206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.006206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.006206 (E_RNA)
where:
Base-Base interactions energy: -640.988
where: short stacking energy: -250.358
Base-Backbone interact. energy: -0.255
local terms energy: -260.763312
where:
bonds (distance) C4'-P energy: -52.368
bonds (distance) P-C4' energy: -47.096
flat angles C4'-P-C4' energy: -53.468
flat angles P-C4'-P energy: -37.374
tors. eta vs tors. theta energy: -70.458
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: 7
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -793.013626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.013626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.013626 (E_RNA)
where:
Base-Base interactions energy: -547.341
where: short stacking energy: -238.392
Base-Backbone interact. energy: -1.974
local terms energy: -243.698782
where:
bonds (distance) C4'-P energy: -49.759
bonds (distance) P-C4' energy: -44.356
flat angles C4'-P-C4' energy: -56.163
flat angles P-C4'-P energy: -30.567
tors. eta vs tors. theta energy: -62.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -745.305014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.305014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.305014 (E_RNA)
where:
Base-Base interactions energy: -501.261
where: short stacking energy: -211.353
Base-Backbone interact. energy: -0.505
local terms energy: -243.538723
where:
bonds (distance) C4'-P energy: -39.816
bonds (distance) P-C4' energy: -55.550
flat angles C4'-P-C4' energy: -56.145
flat angles P-C4'-P energy: -36.136
tors. eta vs tors. theta energy: -55.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -732.471656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.471656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.471656 (E_RNA)
where:
Base-Base interactions energy: -495.818
where: short stacking energy: -205.085
Base-Backbone interact. energy: 0.499
local terms energy: -237.153107
where:
bonds (distance) C4'-P energy: -52.570
bonds (distance) P-C4' energy: -50.470
flat angles C4'-P-C4' energy: -55.306
flat angles P-C4'-P energy: -28.801
tors. eta vs tors. theta energy: -50.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -681.998398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.998398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.998398 (E_RNA)
where:
Base-Base interactions energy: -473.310
where: short stacking energy: -184.545
Base-Backbone interact. energy: -1.497
local terms energy: -207.192121
where:
bonds (distance) C4'-P energy: -38.762
bonds (distance) P-C4' energy: -45.341
flat angles C4'-P-C4' energy: -52.270
flat angles P-C4'-P energy: -32.811
tors. eta vs tors. theta energy: -38.008
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: 8
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -562.326051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.326051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.326051 (E_RNA)
where:
Base-Base interactions energy: -369.318
where: short stacking energy: -171.043
Base-Backbone interact. energy: -1.324
local terms energy: -191.683970
where:
bonds (distance) C4'-P energy: -39.546
bonds (distance) P-C4' energy: -48.304
flat angles C4'-P-C4' energy: -44.502
flat angles P-C4'-P energy: -22.111
tors. eta vs tors. theta energy: -37.221
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: 10, replica: 3
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -470.590261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.590261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.590261 (E_RNA)
where:
Base-Base interactions energy: -287.314
where: short stacking energy: -138.377
Base-Backbone interact. energy: -0.659
local terms energy: -182.616768
where:
bonds (distance) C4'-P energy: -46.172
bonds (distance) P-C4' energy: -46.427
flat angles C4'-P-C4' energy: -44.134
flat angles P-C4'-P energy: -28.397
tors. eta vs tors. theta energy: -17.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -959.398154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.398154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.398154 (E_RNA)
where:
Base-Base interactions energy: -669.171
where: short stacking energy: -277.992
Base-Backbone interact. energy: -0.775
local terms energy: -289.452135
where:
bonds (distance) C4'-P energy: -54.585
bonds (distance) P-C4' energy: -57.921
flat angles C4'-P-C4' energy: -56.937
flat angles P-C4'-P energy: -46.477
tors. eta vs tors. theta energy: -73.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -972.602396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.602396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.602396 (E_RNA)
where:
Base-Base interactions energy: -695.094
where: short stacking energy: -271.268
Base-Backbone interact. energy: -2.032
local terms energy: -275.476489
where:
bonds (distance) C4'-P energy: -52.408
bonds (distance) P-C4' energy: -48.693
flat angles C4'-P-C4' energy: -60.130
flat angles P-C4'-P energy: -32.241
tors. eta vs tors. theta energy: -82.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -957.150913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.150913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.150913 (E_RNA)
where:
Base-Base interactions energy: -669.755
where: short stacking energy: -266.939
Base-Backbone interact. energy: -0.765
local terms energy: -286.631360
where:
bonds (distance) C4'-P energy: -51.244
bonds (distance) P-C4' energy: -57.834
flat angles C4'-P-C4' energy: -64.276
flat angles P-C4'-P energy: -36.936
tors. eta vs tors. theta energy: -76.341
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: 4, replica: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -886.965951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.965951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.965951 (E_RNA)
where:
Base-Base interactions energy: -635.044
where: short stacking energy: -259.896
Base-Backbone interact. energy: -2.310
local terms energy: -249.612627
where:
bonds (distance) C4'-P energy: -44.501
bonds (distance) P-C4' energy: -53.473
flat angles C4'-P-C4' energy: -54.734
flat angles P-C4'-P energy: -30.979
tors. eta vs tors. theta energy: -65.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -820.031533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.031533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.031533 (E_RNA)
where:
Base-Base interactions energy: -567.751
where: short stacking energy: -230.665
Base-Backbone interact. energy: 0.221
local terms energy: -252.501482
where:
bonds (distance) C4'-P energy: -44.490
bonds (distance) P-C4' energy: -51.618
flat angles C4'-P-C4' energy: -53.968
flat angles P-C4'-P energy: -35.185
tors. eta vs tors. theta energy: -67.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -772.512819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.512819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.512819 (E_RNA)
where:
Base-Base interactions energy: -521.161
where: short stacking energy: -236.410
Base-Backbone interact. energy: -0.796
local terms energy: -250.555737
where:
bonds (distance) C4'-P energy: -37.793
bonds (distance) P-C4' energy: -56.998
flat angles C4'-P-C4' energy: -53.958
flat angles P-C4'-P energy: -37.371
tors. eta vs tors. theta energy: -64.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -747.258362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.258362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.258362 (E_RNA)
where:
Base-Base interactions energy: -504.524
where: short stacking energy: -217.144
Base-Backbone interact. energy: -1.533
local terms energy: -241.200904
where:
bonds (distance) C4'-P energy: -44.222
bonds (distance) P-C4' energy: -52.467
flat angles C4'-P-C4' energy: -52.368
flat angles P-C4'-P energy: -41.549
tors. eta vs tors. theta energy: -50.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -696.645712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.645712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.645712 (E_RNA)
where:
Base-Base interactions energy: -490.552
where: short stacking energy: -187.437
Base-Backbone interact. energy: -0.844
local terms energy: -205.250087
where:
bonds (distance) C4'-P energy: -33.921
bonds (distance) P-C4' energy: -50.627
flat angles C4'-P-C4' energy: -56.694
flat angles P-C4'-P energy: -30.407
tors. eta vs tors. theta energy: -33.600
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: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -533.286865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.286865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.286865 (E_RNA)
where:
Base-Base interactions energy: -356.729
where: short stacking energy: -168.844
Base-Backbone interact. energy: -1.605
local terms energy: -174.952592
where:
bonds (distance) C4'-P energy: -29.043
bonds (distance) P-C4' energy: -46.164
flat angles C4'-P-C4' energy: -46.748
flat angles P-C4'-P energy: -24.158
tors. eta vs tors. theta energy: -28.840
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: 3
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -491.805804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.805804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.805804 (E_RNA)
where:
Base-Base interactions energy: -324.882
where: short stacking energy: -142.816
Base-Backbone interact. energy: 0.626
local terms energy: -167.550571
where:
bonds (distance) C4'-P energy: -34.568
bonds (distance) P-C4' energy: -47.587
flat angles C4'-P-C4' energy: -45.013
flat angles P-C4'-P energy: -20.053
tors. eta vs tors. theta energy: -20.330
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: 419
Temperature: 0.900000
Total energy: -945.856161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.856161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.856161 (E_RNA)
where:
Base-Base interactions energy: -658.280
where: short stacking energy: -270.956
Base-Backbone interact. energy: -0.260
local terms energy: -287.316472
where:
bonds (distance) C4'-P energy: -49.725
bonds (distance) P-C4' energy: -54.030
flat angles C4'-P-C4' energy: -55.249
flat angles P-C4'-P energy: -44.585
tors. eta vs tors. theta energy: -83.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -956.327681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.327681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.327681 (E_RNA)
where:
Base-Base interactions energy: -672.741
where: short stacking energy: -288.021
Base-Backbone interact. energy: 0.915
local terms energy: -284.501876
where:
bonds (distance) C4'-P energy: -50.658
bonds (distance) P-C4' energy: -45.737
flat angles C4'-P-C4' energy: -59.225
flat angles P-C4'-P energy: -42.917
tors. eta vs tors. theta energy: -85.965
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: 5
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -966.172345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.172345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.172345 (E_RNA)
where:
Base-Base interactions energy: -678.950
where: short stacking energy: -277.098
Base-Backbone interact. energy: -3.439
local terms energy: -283.783779
where:
bonds (distance) C4'-P energy: -57.135
bonds (distance) P-C4' energy: -48.589
flat angles C4'-P-C4' energy: -61.007
flat angles P-C4'-P energy: -36.960
tors. eta vs tors. theta energy: -80.092
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: 9
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -897.166653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.166653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.166653 (E_RNA)
where:
Base-Base interactions energy: -639.636
where: short stacking energy: -239.953
Base-Backbone interact. energy: 4.060
local terms energy: -261.590833
where:
bonds (distance) C4'-P energy: -51.974
bonds (distance) P-C4' energy: -52.406
flat angles C4'-P-C4' energy: -51.445
flat angles P-C4'-P energy: -41.571
tors. eta vs tors. theta energy: -64.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -828.169019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.169019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.169019 (E_RNA)
where:
Base-Base interactions energy: -575.663
where: short stacking energy: -221.654
Base-Backbone interact. energy: -0.477
local terms energy: -252.029148
where:
bonds (distance) C4'-P energy: -52.882
bonds (distance) P-C4' energy: -45.496
flat angles C4'-P-C4' energy: -51.253
flat angles P-C4'-P energy: -41.561
tors. eta vs tors. theta energy: -60.837
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: 6, replica: 10
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -763.297519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.297519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.297519 (E_RNA)
where:
Base-Base interactions energy: -514.786
where: short stacking energy: -201.452
Base-Backbone interact. energy: -1.493
local terms energy: -247.019458
where:
bonds (distance) C4'-P energy: -52.516
bonds (distance) P-C4' energy: -57.143
flat angles C4'-P-C4' energy: -49.843
flat angles P-C4'-P energy: -35.187
tors. eta vs tors. theta energy: -52.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -707.040677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.040677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.040677 (E_RNA)
where:
Base-Base interactions energy: -489.475
where: short stacking energy: -204.197
Base-Backbone interact. energy: -0.379
local terms energy: -217.186058
where:
bonds (distance) C4'-P energy: -39.341
bonds (distance) P-C4' energy: -49.585
flat angles C4'-P-C4' energy: -47.312
flat angles P-C4'-P energy: -36.749
tors. eta vs tors. theta energy: -44.199
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: 8, replica: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -703.354902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.354902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.354902 (E_RNA)
where:
Base-Base interactions energy: -476.299
where: short stacking energy: -195.261
Base-Backbone interact. energy: -0.688
local terms energy: -226.367328
where:
bonds (distance) C4'-P energy: -43.847
bonds (distance) P-C4' energy: -43.681
flat angles C4'-P-C4' energy: -59.140
flat angles P-C4'-P energy: -37.182
tors. eta vs tors. theta energy: -42.517
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: 8
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -563.426992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.426992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.426992 (E_RNA)
where:
Base-Base interactions energy: -384.201
where: short stacking energy: -162.441
Base-Backbone interact. energy: 3.630
local terms energy: -182.856225
where:
bonds (distance) C4'-P energy: -41.140
bonds (distance) P-C4' energy: -47.962
flat angles C4'-P-C4' energy: -41.605
flat angles P-C4'-P energy: -30.802
tors. eta vs tors. theta energy: -21.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -504.519922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.519922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.519922 (E_RNA)
where:
Base-Base interactions energy: -332.041
where: short stacking energy: -155.607
Base-Backbone interact. energy: -0.314
local terms energy: -172.164813
where:
bonds (distance) C4'-P energy: -42.376
bonds (distance) P-C4' energy: -44.443
flat angles C4'-P-C4' energy: -35.655
flat angles P-C4'-P energy: -21.732
tors. eta vs tors. theta energy: -27.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -957.575655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.575655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.575655 (E_RNA)
where:
Base-Base interactions energy: -663.004
where: short stacking energy: -273.022
Base-Backbone interact. energy: -2.096
local terms energy: -292.475661
where:
bonds (distance) C4'-P energy: -52.754
bonds (distance) P-C4' energy: -54.388
flat angles C4'-P-C4' energy: -58.603
flat angles P-C4'-P energy: -44.783
tors. eta vs tors. theta energy: -81.948
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: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -949.142874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.142874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.142874 (E_RNA)
where:
Base-Base interactions energy: -668.617
where: short stacking energy: -258.279
Base-Backbone interact. energy: -3.788
local terms energy: -276.737197
where:
bonds (distance) C4'-P energy: -49.127
bonds (distance) P-C4' energy: -49.518
flat angles C4'-P-C4' energy: -59.982
flat angles P-C4'-P energy: -39.973
tors. eta vs tors. theta energy: -78.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -961.753867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.753867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.753867 (E_RNA)
where:
Base-Base interactions energy: -667.513
where: short stacking energy: -261.935
Base-Backbone interact. energy: -2.817
local terms energy: -291.424353
where:
bonds (distance) C4'-P energy: -46.806
bonds (distance) P-C4' energy: -51.053
flat angles C4'-P-C4' energy: -60.568
flat angles P-C4'-P energy: -45.987
tors. eta vs tors. theta energy: -87.011
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: 4, replica: 9
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -885.924943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.924943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.924943 (E_RNA)
where:
Base-Base interactions energy: -632.282
where: short stacking energy: -231.575
Base-Backbone interact. energy: -0.435
local terms energy: -253.208485
where:
bonds (distance) C4'-P energy: -56.213
bonds (distance) P-C4' energy: -48.836
flat angles C4'-P-C4' energy: -52.349
flat angles P-C4'-P energy: -32.448
tors. eta vs tors. theta energy: -63.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -815.953457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.953457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.953457 (E_RNA)
where:
Base-Base interactions energy: -555.821
where: short stacking energy: -218.626
Base-Backbone interact. energy: -0.942
local terms energy: -259.190917
where:
bonds (distance) C4'-P energy: -41.496
bonds (distance) P-C4' energy: -56.309
flat angles C4'-P-C4' energy: -52.793
flat angles P-C4'-P energy: -34.637
tors. eta vs tors. theta energy: -73.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -753.026247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.026247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.026247 (E_RNA)
where:
Base-Base interactions energy: -522.558
where: short stacking energy: -211.672
Base-Backbone interact. energy: -0.879
local terms energy: -229.588736
where:
bonds (distance) C4'-P energy: -40.512
bonds (distance) P-C4' energy: -45.123
flat angles C4'-P-C4' energy: -51.234
flat angles P-C4'-P energy: -38.005
tors. eta vs tors. theta energy: -54.715
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: 2
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -751.015479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.015479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.015479 (E_RNA)
where:
Base-Base interactions energy: -501.299
where: short stacking energy: -217.358
Base-Backbone interact. energy: 2.801
local terms energy: -252.517438
where:
bonds (distance) C4'-P energy: -49.185
bonds (distance) P-C4' energy: -52.976
flat angles C4'-P-C4' energy: -57.251
flat angles P-C4'-P energy: -37.001
tors. eta vs tors. theta energy: -56.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -675.678898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.678898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.678898 (E_RNA)
where:
Base-Base interactions energy: -441.491
where: short stacking energy: -188.500
Base-Backbone interact. energy: 0.035
local terms energy: -234.223435
where:
bonds (distance) C4'-P energy: -49.624
bonds (distance) P-C4' energy: -47.733
flat angles C4'-P-C4' energy: -55.594
flat angles P-C4'-P energy: -41.239
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: 8
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -563.597831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.597831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.597831 (E_RNA)
where:
Base-Base interactions energy: -373.581
where: short stacking energy: -160.288
Base-Backbone interact. energy: -1.909
local terms energy: -188.107589
where:
bonds (distance) C4'-P energy: -43.044
bonds (distance) P-C4' energy: -44.535
flat angles C4'-P-C4' energy: -48.172
flat angles P-C4'-P energy: -29.220
tors. eta vs tors. theta energy: -23.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -522.043121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.043121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.043121 (E_RNA)
where:
Base-Base interactions energy: -314.825
where: short stacking energy: -150.161
Base-Backbone interact. energy: -0.523
local terms energy: -206.695408
where:
bonds (distance) C4'-P energy: -50.488
bonds (distance) P-C4' energy: -54.205
flat angles C4'-P-C4' energy: -45.144
flat angles P-C4'-P energy: -18.086
tors. eta vs tors. theta energy: -38.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -967.377910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.377910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.377910 (E_RNA)
where:
Base-Base interactions energy: -671.105
where: short stacking energy: -265.877
Base-Backbone interact. energy: -1.855
local terms energy: -294.417659
where:
bonds (distance) C4'-P energy: -47.553
bonds (distance) P-C4' energy: -59.078
flat angles C4'-P-C4' energy: -63.415
flat angles P-C4'-P energy: -48.124
tors. eta vs tors. theta energy: -76.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -943.832983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.832983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.832983 (E_RNA)
where:
Base-Base interactions energy: -652.137
where: short stacking energy: -265.411
Base-Backbone interact. energy: -2.099
local terms energy: -289.597856
where:
bonds (distance) C4'-P energy: -51.309
bonds (distance) P-C4' energy: -57.362
flat angles C4'-P-C4' energy: -62.819
flat angles P-C4'-P energy: -41.554
tors. eta vs tors. theta energy: -76.553
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: 421
Temperature: 1.000000
Total energy: -960.900695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.900695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.900695 (E_RNA)
where:
Base-Base interactions energy: -679.887
where: short stacking energy: -271.398
Base-Backbone interact. energy: -0.252
local terms energy: -280.761411
where:
bonds (distance) C4'-P energy: -47.289
bonds (distance) P-C4' energy: -50.990
flat angles C4'-P-C4' energy: -63.848
flat angles P-C4'-P energy: -36.984
tors. eta vs tors. theta energy: -81.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -895.451734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.451734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.451734 (E_RNA)
where:
Base-Base interactions energy: -629.708
where: short stacking energy: -254.508
Base-Backbone interact. energy: -2.384
local terms energy: -263.359434
where:
bonds (distance) C4'-P energy: -48.615
bonds (distance) P-C4' energy: -51.430
flat angles C4'-P-C4' energy: -53.733
flat angles P-C4'-P energy: -34.619
tors. eta vs tors. theta energy: -74.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -807.330765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.330765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.330765 (E_RNA)
where:
Base-Base interactions energy: -544.458
where: short stacking energy: -237.003
Base-Backbone interact. energy: -1.583
local terms energy: -261.289323
where:
bonds (distance) C4'-P energy: -52.525
bonds (distance) P-C4' energy: -56.817
flat angles C4'-P-C4' energy: -48.164
flat angles P-C4'-P energy: -40.508
tors. eta vs tors. theta energy: -63.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -793.250116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.250116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.250116 (E_RNA)
where:
Base-Base interactions energy: -539.260
where: short stacking energy: -217.247
Base-Backbone interact. energy: -1.073
local terms energy: -252.917063
where:
bonds (distance) C4'-P energy: -48.520
bonds (distance) P-C4' energy: -53.874
flat angles C4'-P-C4' energy: -51.986
flat angles P-C4'-P energy: -37.889
tors. eta vs tors. theta energy: -60.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -741.947515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.947515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.947515 (E_RNA)
where:
Base-Base interactions energy: -507.244
where: short stacking energy: -210.835
Base-Backbone interact. energy: 0.875
local terms energy: -235.577868
where:
bonds (distance) C4'-P energy: -43.926
bonds (distance) P-C4' energy: -51.465
flat angles C4'-P-C4' energy: -59.165
flat angles P-C4'-P energy: -33.194
tors. eta vs tors. theta energy: -47.828
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: 6
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -701.648825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.648825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.648825 (E_RNA)
where:
Base-Base interactions energy: -500.302
where: short stacking energy: -207.746
Base-Backbone interact. energy: 1.349
local terms energy: -202.695813
where:
bonds (distance) C4'-P energy: -32.467
bonds (distance) P-C4' energy: -47.815
flat angles C4'-P-C4' energy: -52.248
flat angles P-C4'-P energy: -27.025
tors. eta vs tors. theta energy: -43.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -540.134642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.134642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.134642 (E_RNA)
where:
Base-Base interactions energy: -357.573
where: short stacking energy: -152.472
Base-Backbone interact. energy: -1.409
local terms energy: -181.153320
where:
bonds (distance) C4'-P energy: -41.412
bonds (distance) P-C4' energy: -46.924
flat angles C4'-P-C4' energy: -45.692
flat angles P-C4'-P energy: -26.902
tors. eta vs tors. theta energy: -20.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -466.083582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.083582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.083582 (E_RNA)
where:
Base-Base interactions energy: -287.701
where: short stacking energy: -127.252
Base-Backbone interact. energy: -2.098
local terms energy: -176.284230
where:
bonds (distance) C4'-P energy: -27.187
bonds (distance) P-C4' energy: -56.299
flat angles C4'-P-C4' energy: -44.374
flat angles P-C4'-P energy: -31.879
tors. eta vs tors. theta energy: -16.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -969.108389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.108389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.108389 (E_RNA)
where:
Base-Base interactions energy: -676.146
where: short stacking energy: -280.943
Base-Backbone interact. energy: -0.912
local terms energy: -292.050765
where:
bonds (distance) C4'-P energy: -52.311
bonds (distance) P-C4' energy: -53.710
flat angles C4'-P-C4' energy: -64.412
flat angles P-C4'-P energy: -40.080
tors. eta vs tors. theta energy: -81.537
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: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -952.464492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.464492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.464492 (E_RNA)
where:
Base-Base interactions energy: -663.635
where: short stacking energy: -264.851
Base-Backbone interact. energy: 0.706
local terms energy: -289.535610
where:
bonds (distance) C4'-P energy: -49.497
bonds (distance) P-C4' energy: -59.665
flat angles C4'-P-C4' energy: -56.533
flat angles P-C4'-P energy: -42.764
tors. eta vs tors. theta energy: -81.077
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: 5
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -934.997075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.997075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.997075 (E_RNA)
where:
Base-Base interactions energy: -664.350
where: short stacking energy: -272.905
Base-Backbone interact. energy: -1.575
local terms energy: -269.072133
where:
bonds (distance) C4'-P energy: -51.479
bonds (distance) P-C4' energy: -50.136
flat angles C4'-P-C4' energy: -52.221
flat angles P-C4'-P energy: -41.475
tors. eta vs tors. theta energy: -73.761
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: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -904.278498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.278498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.278498 (E_RNA)
where:
Base-Base interactions energy: -629.240
where: short stacking energy: -264.941
Base-Backbone interact. energy: -0.846
local terms energy: -274.192175
where:
bonds (distance) C4'-P energy: -50.693
bonds (distance) P-C4' energy: -52.575
flat angles C4'-P-C4' energy: -61.300
flat angles P-C4'-P energy: -34.607
tors. eta vs tors. theta energy: -75.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -808.477866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.477866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.477866 (E_RNA)
where:
Base-Base interactions energy: -576.633
where: short stacking energy: -229.058
Base-Backbone interact. energy: -1.049
local terms energy: -230.796296
where:
bonds (distance) C4'-P energy: -37.352
bonds (distance) P-C4' energy: -54.792
flat angles C4'-P-C4' energy: -51.914
flat angles P-C4'-P energy: -28.691
tors. eta vs tors. theta energy: -58.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -794.338181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.338181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.338181 (E_RNA)
where:
Base-Base interactions energy: -532.974
where: short stacking energy: -232.070
Base-Backbone interact. energy: -0.815
local terms energy: -260.549226
where:
bonds (distance) C4'-P energy: -39.211
bonds (distance) P-C4' energy: -42.035
flat angles C4'-P-C4' energy: -61.996
flat angles P-C4'-P energy: -39.153
tors. eta vs tors. theta energy: -78.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -712.788638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.788638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.788638 (E_RNA)
where:
Base-Base interactions energy: -509.734
where: short stacking energy: -197.422
Base-Backbone interact. energy: 0.164
local terms energy: -203.218286
where:
bonds (distance) C4'-P energy: -48.061
bonds (distance) P-C4' energy: -35.758
flat angles C4'-P-C4' energy: -45.997
flat angles P-C4'-P energy: -26.484
tors. eta vs tors. theta energy: -46.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -672.869840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.869840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.869840 (E_RNA)
where:
Base-Base interactions energy: -453.996
where: short stacking energy: -189.636
Base-Backbone interact. energy: -0.803
local terms energy: -218.070676
where:
bonds (distance) C4'-P energy: -44.004
bonds (distance) P-C4' energy: -45.401
flat angles C4'-P-C4' energy: -56.338
flat angles P-C4'-P energy: -29.876
tors. eta vs tors. theta energy: -42.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -578.611138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.611138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.611138 (E_RNA)
where:
Base-Base interactions energy: -398.483
where: short stacking energy: -166.672
Base-Backbone interact. energy: 0.227
local terms energy: -180.354650
where:
bonds (distance) C4'-P energy: -43.552
bonds (distance) P-C4' energy: -24.901
flat angles C4'-P-C4' energy: -42.700
flat angles P-C4'-P energy: -35.729
tors. eta vs tors. theta energy: -33.472
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: 3
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -446.877875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.877875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.877875 (E_RNA)
where:
Base-Base interactions energy: -273.084
where: short stacking energy: -123.310
Base-Backbone interact. energy: -3.239
local terms energy: -170.555487
where:
bonds (distance) C4'-P energy: -48.691
bonds (distance) P-C4' energy: -39.617
flat angles C4'-P-C4' energy: -36.335
flat angles P-C4'-P energy: -31.435
tors. eta vs tors. theta energy: -14.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -959.833899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.833899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.833899 (E_RNA)
where:
Base-Base interactions energy: -673.196
where: short stacking energy: -274.450
Base-Backbone interact. energy: -2.833
local terms energy: -283.804537
where:
bonds (distance) C4'-P energy: -42.445
bonds (distance) P-C4' energy: -56.161
flat angles C4'-P-C4' energy: -65.062
flat angles P-C4'-P energy: -41.299
tors. eta vs tors. theta energy: -78.838
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: 4
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -947.673442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.673442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.673442 (E_RNA)
where:
Base-Base interactions energy: -680.240
where: short stacking energy: -269.396
Base-Backbone interact. energy: -1.162
local terms energy: -266.271554
where:
bonds (distance) C4'-P energy: -34.718
bonds (distance) P-C4' energy: -55.645
flat angles C4'-P-C4' energy: -56.072
flat angles P-C4'-P energy: -44.100
tors. eta vs tors. theta energy: -75.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -922.177723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.177723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.177723 (E_RNA)
where:
Base-Base interactions energy: -644.732
where: short stacking energy: -255.549
Base-Backbone interact. energy: -0.584
local terms energy: -276.861657
where:
bonds (distance) C4'-P energy: -47.695
bonds (distance) P-C4' energy: -55.106
flat angles C4'-P-C4' energy: -62.333
flat angles P-C4'-P energy: -39.556
tors. eta vs tors. theta energy: -72.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -860.360635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.360635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.360635 (E_RNA)
where:
Base-Base interactions energy: -615.689
where: short stacking energy: -253.386
Base-Backbone interact. energy: 0.949
local terms energy: -245.620151
where:
bonds (distance) C4'-P energy: -38.592
bonds (distance) P-C4' energy: -48.081
flat angles C4'-P-C4' energy: -48.132
flat angles P-C4'-P energy: -37.677
tors. eta vs tors. theta energy: -73.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -801.384742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.384742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.384742 (E_RNA)
where:
Base-Base interactions energy: -532.750
where: short stacking energy: -211.354
Base-Backbone interact. energy: -0.746
local terms energy: -267.889608
where:
bonds (distance) C4'-P energy: -57.977
bonds (distance) P-C4' energy: -54.369
flat angles C4'-P-C4' energy: -51.706
flat angles P-C4'-P energy: -43.264
tors. eta vs tors. theta energy: -60.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -748.635135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.635135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.635135 (E_RNA)
where:
Base-Base interactions energy: -494.747
where: short stacking energy: -201.595
Base-Backbone interact. energy: -1.489
local terms energy: -252.399048
where:
bonds (distance) C4'-P energy: -47.756
bonds (distance) P-C4' energy: -58.357
flat angles C4'-P-C4' energy: -51.940
flat angles P-C4'-P energy: -41.978
tors. eta vs tors. theta energy: -52.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -760.065318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.065318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.065318 (E_RNA)
where:
Base-Base interactions energy: -521.267
where: short stacking energy: -231.697
Base-Backbone interact. energy: -0.730
local terms energy: -238.067821
where:
bonds (distance) C4'-P energy: -45.466
bonds (distance) P-C4' energy: -46.288
flat angles C4'-P-C4' energy: -50.200
flat angles P-C4'-P energy: -36.425
tors. eta vs tors. theta energy: -59.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -689.946078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.946078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.946078 (E_RNA)
where:
Base-Base interactions energy: -466.060
where: short stacking energy: -196.367
Base-Backbone interact. energy: -0.376
local terms energy: -223.510183
where:
bonds (distance) C4'-P energy: -43.094
bonds (distance) P-C4' energy: -51.149
flat angles C4'-P-C4' energy: -49.740
flat angles P-C4'-P energy: -30.262
tors. eta vs tors. theta energy: -49.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -592.113847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.113847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.113847 (E_RNA)
where:
Base-Base interactions energy: -382.382
where: short stacking energy: -167.628
Base-Backbone interact. energy: -1.415
local terms energy: -208.316797
where:
bonds (distance) C4'-P energy: -44.829
bonds (distance) P-C4' energy: -54.448
flat angles C4'-P-C4' energy: -42.866
flat angles P-C4'-P energy: -27.063
tors. eta vs tors. theta energy: -39.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -528.594049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.594049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.594049 (E_RNA)
where:
Base-Base interactions energy: -328.351
where: short stacking energy: -132.630
Base-Backbone interact. energy: -0.843
local terms energy: -199.399384
where:
bonds (distance) C4'-P energy: -38.803
bonds (distance) P-C4' energy: -52.435
flat angles C4'-P-C4' energy: -51.290
flat angles P-C4'-P energy: -34.250
tors. eta vs tors. theta energy: -22.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -953.141375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.141375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.141375 (E_RNA)
where:
Base-Base interactions energy: -657.779
where: short stacking energy: -285.017
Base-Backbone interact. energy: -0.525
local terms energy: -294.837302
where:
bonds (distance) C4'-P energy: -53.578
bonds (distance) P-C4' energy: -53.607
flat angles C4'-P-C4' energy: -61.197
flat angles P-C4'-P energy: -41.495
tors. eta vs tors. theta energy: -84.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -950.053124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.053124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.053124 (E_RNA)
where:
Base-Base interactions energy: -648.687
where: short stacking energy: -264.645
Base-Backbone interact. energy: -0.728
local terms energy: -300.637563
where:
bonds (distance) C4'-P energy: -57.305
bonds (distance) P-C4' energy: -57.198
flat angles C4'-P-C4' energy: -64.234
flat angles P-C4'-P energy: -44.711
tors. eta vs tors. theta energy: -77.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -919.452717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.452717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.452717 (E_RNA)
where:
Base-Base interactions energy: -652.644
where: short stacking energy: -272.279
Base-Backbone interact. energy: -1.733
local terms energy: -265.075596
where:
bonds (distance) C4'-P energy: -39.528
bonds (distance) P-C4' energy: -54.225
flat angles C4'-P-C4' energy: -57.656
flat angles P-C4'-P energy: -36.848
tors. eta vs tors. theta energy: -76.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -845.883925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.883925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.883925 (E_RNA)
where:
Base-Base interactions energy: -591.026
where: short stacking energy: -230.212
Base-Backbone interact. energy: -0.488
local terms energy: -254.369340
where:
bonds (distance) C4'-P energy: -50.800
bonds (distance) P-C4' energy: -58.793
flat angles C4'-P-C4' energy: -51.215
flat angles P-C4'-P energy: -35.655
tors. eta vs tors. theta energy: -57.907
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: 6
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -779.217084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.217084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.217084 (E_RNA)
where:
Base-Base interactions energy: -521.968
where: short stacking energy: -221.188
Base-Backbone interact. energy: 0.172
local terms energy: -257.421436
where:
bonds (distance) C4'-P energy: -48.464
bonds (distance) P-C4' energy: -53.534
flat angles C4'-P-C4' energy: -58.216
flat angles P-C4'-P energy: -41.175
tors. eta vs tors. theta energy: -56.032
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: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -780.332558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.332558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.332558 (E_RNA)
where:
Base-Base interactions energy: -529.263
where: short stacking energy: -209.878
Base-Backbone interact. energy: 0.066
local terms energy: -251.135266
where:
bonds (distance) C4'-P energy: -49.442
bonds (distance) P-C4' energy: -46.240
flat angles C4'-P-C4' energy: -57.235
flat angles P-C4'-P energy: -36.475
tors. eta vs tors. theta energy: -61.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -730.639239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.639239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.639239 (E_RNA)
where:
Base-Base interactions energy: -491.163
where: short stacking energy: -201.962
Base-Backbone interact. energy: -1.013
local terms energy: -238.462744
where:
bonds (distance) C4'-P energy: -51.607
bonds (distance) P-C4' energy: -43.268
flat angles C4'-P-C4' energy: -56.387
flat angles P-C4'-P energy: -33.621
tors. eta vs tors. theta energy: -53.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -702.623047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.623047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.623047 (E_RNA)
where:
Base-Base interactions energy: -475.907
where: short stacking energy: -202.732
Base-Backbone interact. energy: 0.648
local terms energy: -227.364727
where:
bonds (distance) C4'-P energy: -37.360
bonds (distance) P-C4' energy: -54.414
flat angles C4'-P-C4' energy: -51.193
flat angles P-C4'-P energy: -30.394
tors. eta vs tors. theta energy: -54.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -579.004211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.004211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.004211 (E_RNA)
where:
Base-Base interactions energy: -383.173
where: short stacking energy: -160.095
Base-Backbone interact. energy: -0.922
local terms energy: -194.908893
where:
bonds (distance) C4'-P energy: -51.880
bonds (distance) P-C4' energy: -48.076
flat angles C4'-P-C4' energy: -41.416
flat angles P-C4'-P energy: -21.218
tors. eta vs tors. theta energy: -32.319
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: 3
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -508.231452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.231452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.231452 (E_RNA)
where:
Base-Base interactions energy: -297.258
where: short stacking energy: -129.632
Base-Backbone interact. energy: -1.283
local terms energy: -209.691075
where:
bonds (distance) C4'-P energy: -60.801
bonds (distance) P-C4' energy: -51.314
flat angles C4'-P-C4' energy: -48.616
flat angles P-C4'-P energy: -25.852
tors. eta vs tors. theta energy: -23.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -963.300835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.300835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.300835 (E_RNA)
where:
Base-Base interactions energy: -656.722
where: short stacking energy: -279.725
Base-Backbone interact. energy: -2.560
local terms energy: -304.018736
where:
bonds (distance) C4'-P energy: -55.070
bonds (distance) P-C4' energy: -55.904
flat angles C4'-P-C4' energy: -65.619
flat angles P-C4'-P energy: -49.334
tors. eta vs tors. theta energy: -78.092
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: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -950.880536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.880536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.880536 (E_RNA)
where:
Base-Base interactions energy: -658.422
where: short stacking energy: -272.991
Base-Backbone interact. energy: -1.356
local terms energy: -291.102568
where:
bonds (distance) C4'-P energy: -56.583
bonds (distance) P-C4' energy: -52.400
flat angles C4'-P-C4' energy: -61.381
flat angles P-C4'-P energy: -42.640
tors. eta vs tors. theta energy: -78.099
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: 4
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -956.775289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.775289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.775289 (E_RNA)
where:
Base-Base interactions energy: -673.579
where: short stacking energy: -272.339
Base-Backbone interact. energy: -1.166
local terms energy: -282.030819
where:
bonds (distance) C4'-P energy: -44.730
bonds (distance) P-C4' energy: -53.639
flat angles C4'-P-C4' energy: -55.175
flat angles P-C4'-P energy: -45.623
tors. eta vs tors. theta energy: -82.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -844.129453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.129453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.129453 (E_RNA)
where:
Base-Base interactions energy: -589.120
where: short stacking energy: -250.990
Base-Backbone interact. energy: -1.083
local terms energy: -253.926072
where:
bonds (distance) C4'-P energy: -54.443
bonds (distance) P-C4' energy: -47.729
flat angles C4'-P-C4' energy: -44.950
flat angles P-C4'-P energy: -39.166
tors. eta vs tors. theta energy: -67.638
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: 5, replica: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -784.144157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.144157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.144157 (E_RNA)
where:
Base-Base interactions energy: -532.378
where: short stacking energy: -220.904
Base-Backbone interact. energy: -0.695
local terms energy: -251.071094
where:
bonds (distance) C4'-P energy: -57.465
bonds (distance) P-C4' energy: -56.920
flat angles C4'-P-C4' energy: -44.660
flat angles P-C4'-P energy: -33.222
tors. eta vs tors. theta energy: -58.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -754.733692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.733692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.733692 (E_RNA)
where:
Base-Base interactions energy: -515.683
where: short stacking energy: -217.251
Base-Backbone interact. energy: -0.818
local terms energy: -238.232003
where:
bonds (distance) C4'-P energy: -41.753
bonds (distance) P-C4' energy: -38.649
flat angles C4'-P-C4' energy: -55.604
flat angles P-C4'-P energy: -38.480
tors. eta vs tors. theta energy: -63.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -765.006271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.006271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.006271 (E_RNA)
where:
Base-Base interactions energy: -530.988
where: short stacking energy: -204.407
Base-Backbone interact. energy: -1.978
local terms energy: -232.039789
where:
bonds (distance) C4'-P energy: -54.559
bonds (distance) P-C4' energy: -49.949
flat angles C4'-P-C4' energy: -44.725
flat angles P-C4'-P energy: -27.140
tors. eta vs tors. theta energy: -55.667
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: 2
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -678.368480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.368480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.368480 (E_RNA)
where:
Base-Base interactions energy: -451.014
where: short stacking energy: -209.626
Base-Backbone interact. energy: -0.153
local terms energy: -227.201530
where:
bonds (distance) C4'-P energy: -43.165
bonds (distance) P-C4' energy: -50.760
flat angles C4'-P-C4' energy: -48.526
flat angles P-C4'-P energy: -30.862
tors. eta vs tors. theta energy: -53.888
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: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -596.344808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.344808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.344808 (E_RNA)
where:
Base-Base interactions energy: -400.759
where: short stacking energy: -167.723
Base-Backbone interact. energy: 0.736
local terms energy: -196.321609
where:
bonds (distance) C4'-P energy: -37.475
bonds (distance) P-C4' energy: -48.130
flat angles C4'-P-C4' energy: -43.839
flat angles P-C4'-P energy: -34.499
tors. eta vs tors. theta energy: -32.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -512.766753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.766753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.766753 (E_RNA)
where:
Base-Base interactions energy: -321.104
where: short stacking energy: -145.723
Base-Backbone interact. energy: -0.538
local terms energy: -191.124909
where:
bonds (distance) C4'-P energy: -46.484
bonds (distance) P-C4' energy: -40.958
flat angles C4'-P-C4' energy: -36.469
flat angles P-C4'-P energy: -39.001
tors. eta vs tors. theta energy: -28.212
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: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -984.921032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.921032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.921032 (E_RNA)
where:
Base-Base interactions energy: -677.726
where: short stacking energy: -287.407
Base-Backbone interact. energy: -0.853
local terms energy: -306.341868
where:
bonds (distance) C4'-P energy: -60.828
bonds (distance) P-C4' energy: -57.760
flat angles C4'-P-C4' energy: -56.750
flat angles P-C4'-P energy: -47.043
tors. eta vs tors. theta energy: -83.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -944.889738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.889738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.889738 (E_RNA)
where:
Base-Base interactions energy: -653.240
where: short stacking energy: -265.760
Base-Backbone interact. energy: -1.454
local terms energy: -290.195764
where:
bonds (distance) C4'-P energy: -52.577
bonds (distance) P-C4' energy: -58.719
flat angles C4'-P-C4' energy: -52.771
flat angles P-C4'-P energy: -40.862
tors. eta vs tors. theta energy: -85.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -928.218538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.218538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.218538 (E_RNA)
where:
Base-Base interactions energy: -641.795
where: short stacking energy: -270.987
Base-Backbone interact. energy: -1.555
local terms energy: -284.868222
where:
bonds (distance) C4'-P energy: -55.082
bonds (distance) P-C4' energy: -57.939
flat angles C4'-P-C4' energy: -60.353
flat angles P-C4'-P energy: -35.315
tors. eta vs tors. theta energy: -76.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -856.699978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.699978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.699978 (E_RNA)
where:
Base-Base interactions energy: -596.475
where: short stacking energy: -243.786
Base-Backbone interact. energy: 0.542
local terms energy: -260.766946
where:
bonds (distance) C4'-P energy: -56.329
bonds (distance) P-C4' energy: -42.218
flat angles C4'-P-C4' energy: -56.693
flat angles P-C4'-P energy: -42.457
tors. eta vs tors. theta energy: -63.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -797.498474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.498474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.498474 (E_RNA)
where:
Base-Base interactions energy: -537.073
where: short stacking energy: -216.827
Base-Backbone interact. energy: -1.702
local terms energy: -258.723773
where:
bonds (distance) C4'-P energy: -53.507
bonds (distance) P-C4' energy: -46.084
flat angles C4'-P-C4' energy: -60.879
flat angles P-C4'-P energy: -32.957
tors. eta vs tors. theta energy: -65.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -736.402752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.402752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.402752 (E_RNA)
where:
Base-Base interactions energy: -505.097
where: short stacking energy: -187.154
Base-Backbone interact. energy: -0.893
local terms energy: -230.412786
where:
bonds (distance) C4'-P energy: -46.634
bonds (distance) P-C4' energy: -54.527
flat angles C4'-P-C4' energy: -44.329
flat angles P-C4'-P energy: -33.193
tors. eta vs tors. theta energy: -51.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -785.148691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.148691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.148691 (E_RNA)
where:
Base-Base interactions energy: -547.489
where: short stacking energy: -225.292
Base-Backbone interact. energy: -2.988
local terms energy: -234.670996
where:
bonds (distance) C4'-P energy: -52.646
bonds (distance) P-C4' energy: -43.483
flat angles C4'-P-C4' energy: -52.797
flat angles P-C4'-P energy: -24.951
tors. eta vs tors. theta energy: -60.794
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: 2
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -675.684581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.684581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.684581 (E_RNA)
where:
Base-Base interactions energy: -460.372
where: short stacking energy: -186.075
Base-Backbone interact. energy: 0.320
local terms energy: -215.632980
where:
bonds (distance) C4'-P energy: -44.496
bonds (distance) P-C4' energy: -52.779
flat angles C4'-P-C4' energy: -49.072
flat angles P-C4'-P energy: -30.863
tors. eta vs tors. theta energy: -38.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -587.281176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.281176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.281176 (E_RNA)
where:
Base-Base interactions energy: -401.930
where: short stacking energy: -162.007
Base-Backbone interact. energy: -1.216
local terms energy: -184.135156
where:
bonds (distance) C4'-P energy: -40.428
bonds (distance) P-C4' energy: -45.568
flat angles C4'-P-C4' energy: -37.599
flat angles P-C4'-P energy: -27.143
tors. eta vs tors. theta energy: -33.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -506.862392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.862392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.862392 (E_RNA)
where:
Base-Base interactions energy: -305.655
where: short stacking energy: -137.975
Base-Backbone interact. energy: 1.055
local terms energy: -202.262796
where:
bonds (distance) C4'-P energy: -46.453
bonds (distance) P-C4' energy: -45.139
flat angles C4'-P-C4' energy: -50.765
flat angles P-C4'-P energy: -30.941
tors. eta vs tors. theta energy: -28.964
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: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -974.718875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.718875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.718875 (E_RNA)
where:
Base-Base interactions energy: -671.838
where: short stacking energy: -278.248
Base-Backbone interact. energy: -1.677
local terms energy: -301.204053
where:
bonds (distance) C4'-P energy: -60.571
bonds (distance) P-C4' energy: -55.925
flat angles C4'-P-C4' energy: -59.004
flat angles P-C4'-P energy: -44.957
tors. eta vs tors. theta energy: -80.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -937.659968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.659968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.659968 (E_RNA)
where:
Base-Base interactions energy: -662.667
where: short stacking energy: -265.229
Base-Backbone interact. energy: 2.977
local terms energy: -277.969420
where:
bonds (distance) C4'-P energy: -52.459
bonds (distance) P-C4' energy: -49.564
flat angles C4'-P-C4' energy: -59.291
flat angles P-C4'-P energy: -38.057
tors. eta vs tors. theta energy: -78.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -923.652048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.652048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.652048 (E_RNA)
where:
Base-Base interactions energy: -637.276
where: short stacking energy: -269.885
Base-Backbone interact. energy: -2.312
local terms energy: -284.063805
where:
bonds (distance) C4'-P energy: -50.967
bonds (distance) P-C4' energy: -49.292
flat angles C4'-P-C4' energy: -62.893
flat angles P-C4'-P energy: -43.791
tors. eta vs tors. theta energy: -77.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -832.861360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.861360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.861360 (E_RNA)
where:
Base-Base interactions energy: -593.447
where: short stacking energy: -227.942
Base-Backbone interact. energy: -0.543
local terms energy: -238.871187
where:
bonds (distance) C4'-P energy: -50.099
bonds (distance) P-C4' energy: -47.109
flat angles C4'-P-C4' energy: -52.711
flat angles P-C4'-P energy: -28.544
tors. eta vs tors. theta energy: -60.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -748.055720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.055720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.055720 (E_RNA)
where:
Base-Base interactions energy: -497.160
where: short stacking energy: -216.158
Base-Backbone interact. energy: -1.817
local terms energy: -249.078704
where:
bonds (distance) C4'-P energy: -41.044
bonds (distance) P-C4' energy: -54.316
flat angles C4'-P-C4' energy: -56.400
flat angles P-C4'-P energy: -39.572
tors. eta vs tors. theta energy: -57.747
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: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -805.702820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.702820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.702820 (E_RNA)
where:
Base-Base interactions energy: -553.960
where: short stacking energy: -235.749
Base-Backbone interact. energy: -0.469
local terms energy: -251.274252
where:
bonds (distance) C4'-P energy: -46.462
bonds (distance) P-C4' energy: -47.823
flat angles C4'-P-C4' energy: -55.078
flat angles P-C4'-P energy: -37.021
tors. eta vs tors. theta energy: -64.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -731.372005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.372005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.372005 (E_RNA)
where:
Base-Base interactions energy: -508.285
where: short stacking energy: -213.494
Base-Backbone interact. energy: -0.191
local terms energy: -222.896398
where:
bonds (distance) C4'-P energy: -33.328
bonds (distance) P-C4' energy: -46.844
flat angles C4'-P-C4' energy: -49.622
flat angles P-C4'-P energy: -32.498
tors. eta vs tors. theta energy: -60.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -695.049019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.049019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.049019 (E_RNA)
where:
Base-Base interactions energy: -469.675
where: short stacking energy: -196.160
Base-Backbone interact. energy: 0.060
local terms energy: -225.433816
where:
bonds (distance) C4'-P energy: -39.749
bonds (distance) P-C4' energy: -50.452
flat angles C4'-P-C4' energy: -47.579
flat angles P-C4'-P energy: -34.026
tors. eta vs tors. theta energy: -53.627
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: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -599.096551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.096551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.096551 (E_RNA)
where:
Base-Base interactions energy: -400.704
where: short stacking energy: -171.323
Base-Backbone interact. energy: -1.419
local terms energy: -196.974082
where:
bonds (distance) C4'-P energy: -47.320
bonds (distance) P-C4' energy: -45.613
flat angles C4'-P-C4' energy: -42.920
flat angles P-C4'-P energy: -25.148
tors. eta vs tors. theta energy: -35.974
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: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -458.855346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.855346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.855346 (E_RNA)
where:
Base-Base interactions energy: -267.029
where: short stacking energy: -125.686
Base-Backbone interact. energy: -0.908
local terms energy: -190.918523
where:
bonds (distance) C4'-P energy: -49.577
bonds (distance) P-C4' energy: -47.746
flat angles C4'-P-C4' energy: -48.059
flat angles P-C4'-P energy: -27.125
tors. eta vs tors. theta energy: -18.412
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: 5
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -977.136125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.136125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.136125 (E_RNA)
where:
Base-Base interactions energy: -671.498
where: short stacking energy: -284.501
Base-Backbone interact. energy: -0.610
local terms energy: -305.027699
where:
bonds (distance) C4'-P energy: -55.628
bonds (distance) P-C4' energy: -59.693
flat angles C4'-P-C4' energy: -63.453
flat angles P-C4'-P energy: -42.140
tors. eta vs tors. theta energy: -84.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -929.114857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.114857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.114857 (E_RNA)
where:
Base-Base interactions energy: -654.391
where: short stacking energy: -266.208
Base-Backbone interact. energy: -0.872
local terms energy: -273.852545
where:
bonds (distance) C4'-P energy: -45.221
bonds (distance) P-C4' energy: -57.138
flat angles C4'-P-C4' energy: -61.968
flat angles P-C4'-P energy: -32.790
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: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -911.104733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.104733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.104733 (E_RNA)
where:
Base-Base interactions energy: -635.678
where: short stacking energy: -254.922
Base-Backbone interact. energy: -1.048
local terms energy: -274.378837
where:
bonds (distance) C4'-P energy: -45.854
bonds (distance) P-C4' energy: -56.042
flat angles C4'-P-C4' energy: -54.776
flat angles P-C4'-P energy: -44.496
tors. eta vs tors. theta energy: -73.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -811.488934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.488934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.488934 (E_RNA)
where:
Base-Base interactions energy: -549.218
where: short stacking energy: -234.645
Base-Backbone interact. energy: -0.762
local terms energy: -261.509059
where:
bonds (distance) C4'-P energy: -45.691
bonds (distance) P-C4' energy: -54.476
flat angles C4'-P-C4' energy: -63.261
flat angles P-C4'-P energy: -37.944
tors. eta vs tors. theta energy: -60.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -828.091339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.091339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.091339 (E_RNA)
where:
Base-Base interactions energy: -592.796
where: short stacking energy: -234.220
Base-Backbone interact. energy: -0.325
local terms energy: -234.969994
where:
bonds (distance) C4'-P energy: -48.444
bonds (distance) P-C4' energy: -38.819
flat angles C4'-P-C4' energy: -52.439
flat angles P-C4'-P energy: -37.722
tors. eta vs tors. theta energy: -57.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -738.416641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.416641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.416641 (E_RNA)
where:
Base-Base interactions energy: -502.833
where: short stacking energy: -223.853
Base-Backbone interact. energy: -0.700
local terms energy: -234.883883
where:
bonds (distance) C4'-P energy: -45.441
bonds (distance) P-C4' energy: -47.588
flat angles C4'-P-C4' energy: -53.635
flat angles P-C4'-P energy: -30.925
tors. eta vs tors. theta energy: -57.294
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: 2
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -702.679986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.679986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.679986 (E_RNA)
where:
Base-Base interactions energy: -502.726
where: short stacking energy: -197.832
Base-Backbone interact. energy: -1.042
local terms energy: -198.912385
where:
bonds (distance) C4'-P energy: -31.774
bonds (distance) P-C4' energy: -41.977
flat angles C4'-P-C4' energy: -42.880
flat angles P-C4'-P energy: -33.477
tors. eta vs tors. theta energy: -48.804
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: 428
Temperature: 1.250000
Total energy: -686.631411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.631411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.631411 (E_RNA)
where:
Base-Base interactions energy: -453.883
where: short stacking energy: -187.154
Base-Backbone interact. energy: -0.757
local terms energy: -231.992243
where:
bonds (distance) C4'-P energy: -45.776
bonds (distance) P-C4' energy: -43.477
flat angles C4'-P-C4' energy: -57.660
flat angles P-C4'-P energy: -41.082
tors. eta vs tors. theta energy: -43.997
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: 8
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -584.150890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.150890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.150890 (E_RNA)
where:
Base-Base interactions energy: -403.340
where: short stacking energy: -176.358
Base-Backbone interact. energy: -0.396
local terms energy: -180.414445
where:
bonds (distance) C4'-P energy: -43.491
bonds (distance) P-C4' energy: -54.672
flat angles C4'-P-C4' energy: -34.129
flat angles P-C4'-P energy: -18.350
tors. eta vs tors. theta energy: -29.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -494.391259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.391259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.391259 (E_RNA)
where:
Base-Base interactions energy: -297.622
where: short stacking energy: -125.832
Base-Backbone interact. energy: 1.135
local terms energy: -197.903849
where:
bonds (distance) C4'-P energy: -47.014
bonds (distance) P-C4' energy: -47.885
flat angles C4'-P-C4' energy: -49.962
flat angles P-C4'-P energy: -32.323
tors. eta vs tors. theta energy: -20.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -958.723352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.723352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.723352 (E_RNA)
where:
Base-Base interactions energy: -654.200
where: short stacking energy: -269.568
Base-Backbone interact. energy: 2.729
local terms energy: -307.252478
where:
bonds (distance) C4'-P energy: -59.334
bonds (distance) P-C4' energy: -56.533
flat angles C4'-P-C4' energy: -66.883
flat angles P-C4'-P energy: -44.233
tors. eta vs tors. theta energy: -80.269
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: 2, replica: 1
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -948.086756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.086756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.086756 (E_RNA)
where:
Base-Base interactions energy: -660.912
where: short stacking energy: -276.691
Base-Backbone interact. energy: -1.492
local terms energy: -285.682379
where:
bonds (distance) C4'-P energy: -56.957
bonds (distance) P-C4' energy: -55.800
flat angles C4'-P-C4' energy: -52.574
flat angles P-C4'-P energy: -39.154
tors. eta vs tors. theta energy: -81.198
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: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -929.948748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.948748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.948748 (E_RNA)
where:
Base-Base interactions energy: -639.812
where: short stacking energy: -265.107
Base-Backbone interact. energy: 0.636
local terms energy: -290.772501
where:
bonds (distance) C4'-P energy: -51.289
bonds (distance) P-C4' energy: -53.879
flat angles C4'-P-C4' energy: -61.968
flat angles P-C4'-P energy: -43.116
tors. eta vs tors. theta energy: -80.520
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: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -837.157193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.157193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.157193 (E_RNA)
where:
Base-Base interactions energy: -584.225
where: short stacking energy: -237.466
Base-Backbone interact. energy: -1.144
local terms energy: -251.787485
where:
bonds (distance) C4'-P energy: -51.329
bonds (distance) P-C4' energy: -46.369
flat angles C4'-P-C4' energy: -52.911
flat angles P-C4'-P energy: -41.265
tors. eta vs tors. theta energy: -59.914
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: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -822.492234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.492234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.492234 (E_RNA)
where:
Base-Base interactions energy: -575.217
where: short stacking energy: -233.497
Base-Backbone interact. energy: -1.607
local terms energy: -245.668641
where:
bonds (distance) C4'-P energy: -42.722
bonds (distance) P-C4' energy: -54.194
flat angles C4'-P-C4' energy: -54.812
flat angles P-C4'-P energy: -26.202
tors. eta vs tors. theta energy: -67.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -732.442365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.442365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.442365 (E_RNA)
where:
Base-Base interactions energy: -494.466
where: short stacking energy: -215.570
Base-Backbone interact. energy: -1.691
local terms energy: -236.285444
where:
bonds (distance) C4'-P energy: -50.339
bonds (distance) P-C4' energy: -49.127
flat angles C4'-P-C4' energy: -44.083
flat angles P-C4'-P energy: -34.259
tors. eta vs tors. theta energy: -58.477
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: 429
Temperature: 1.200000
Total energy: -717.264240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.264240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.264240 (E_RNA)
where:
Base-Base interactions energy: -509.787
where: short stacking energy: -198.688
Base-Backbone interact. energy: -0.866
local terms energy: -206.611291
where:
bonds (distance) C4'-P energy: -34.278
bonds (distance) P-C4' energy: -48.131
flat angles C4'-P-C4' energy: -45.712
flat angles P-C4'-P energy: -29.007
tors. eta vs tors. theta energy: -49.483
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: 429
Temperature: 1.250000
Total energy: -630.852399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.852399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.852399 (E_RNA)
where:
Base-Base interactions energy: -417.573
where: short stacking energy: -167.944
Base-Backbone interact. energy: -0.959
local terms energy: -212.320108
where:
bonds (distance) C4'-P energy: -45.398
bonds (distance) P-C4' energy: -44.722
flat angles C4'-P-C4' energy: -45.468
flat angles P-C4'-P energy: -29.685
tors. eta vs tors. theta energy: -47.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -653.484968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.484968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.484968 (E_RNA)
where:
Base-Base interactions energy: -438.456
where: short stacking energy: -183.077
Base-Backbone interact. energy: 0.125
local terms energy: -215.153711
where:
bonds (distance) C4'-P energy: -49.957
bonds (distance) P-C4' energy: -41.694
flat angles C4'-P-C4' energy: -46.132
flat angles P-C4'-P energy: -35.371
tors. eta vs tors. theta energy: -41.999
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: 10, replica: 3
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -513.130696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.130696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.130696 (E_RNA)
where:
Base-Base interactions energy: -340.263
where: short stacking energy: -153.690
Base-Backbone interact. energy: 0.942
local terms energy: -173.809775
where:
bonds (distance) C4'-P energy: -31.689
bonds (distance) P-C4' energy: -43.646
flat angles C4'-P-C4' energy: -35.895
flat angles P-C4'-P energy: -37.674
tors. eta vs tors. theta energy: -24.906
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: 1, replica: 5
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -965.557749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.557749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.557749 (E_RNA)
where:
Base-Base interactions energy: -682.652
where: short stacking energy: -271.727
Base-Backbone interact. energy: -0.932
local terms energy: -281.973550
where:
bonds (distance) C4'-P energy: -52.952
bonds (distance) P-C4' energy: -50.779
flat angles C4'-P-C4' energy: -54.654
flat angles P-C4'-P energy: -49.069
tors. eta vs tors. theta energy: -74.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -927.549762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.549762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.549762 (E_RNA)
where:
Base-Base interactions energy: -652.004
where: short stacking energy: -270.452
Base-Backbone interact. energy: -0.850
local terms energy: -274.696304
where:
bonds (distance) C4'-P energy: -50.915
bonds (distance) P-C4' energy: -52.302
flat angles C4'-P-C4' energy: -60.238
flat angles P-C4'-P energy: -35.741
tors. eta vs tors. theta energy: -75.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -943.690424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.690424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.690424 (E_RNA)
where:
Base-Base interactions energy: -670.669
where: short stacking energy: -259.864
Base-Backbone interact. energy: -1.948
local terms energy: -271.073379
where:
bonds (distance) C4'-P energy: -48.067
bonds (distance) P-C4' energy: -48.639
flat angles C4'-P-C4' energy: -61.648
flat angles P-C4'-P energy: -37.957
tors. eta vs tors. theta energy: -74.763
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: 4, replica: 9
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -835.848947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.848947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.848947 (E_RNA)
where:
Base-Base interactions energy: -582.055
where: short stacking energy: -246.465
Base-Backbone interact. energy: 0.665
local terms energy: -254.459395
where:
bonds (distance) C4'-P energy: -44.546
bonds (distance) P-C4' energy: -45.426
flat angles C4'-P-C4' energy: -64.478
flat angles P-C4'-P energy: -37.474
tors. eta vs tors. theta energy: -62.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -817.727112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.727112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.727112 (E_RNA)
where:
Base-Base interactions energy: -565.724
where: short stacking energy: -225.244
Base-Backbone interact. energy: 3.039
local terms energy: -255.042756
where:
bonds (distance) C4'-P energy: -46.203
bonds (distance) P-C4' energy: -51.896
flat angles C4'-P-C4' energy: -56.857
flat angles P-C4'-P energy: -39.394
tors. eta vs tors. theta energy: -60.694
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: 2
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -732.962879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.962879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.962879 (E_RNA)
where:
Base-Base interactions energy: -501.694
where: short stacking energy: -192.311
Base-Backbone interact. energy: -2.385
local terms energy: -228.883410
where:
bonds (distance) C4'-P energy: -41.312
bonds (distance) P-C4' energy: -56.261
flat angles C4'-P-C4' energy: -46.718
flat angles P-C4'-P energy: -42.345
tors. eta vs tors. theta energy: -42.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -757.147343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.147343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.147343 (E_RNA)
where:
Base-Base interactions energy: -522.433
where: short stacking energy: -223.182
Base-Backbone interact. energy: 3.965
local terms energy: -238.678680
where:
bonds (distance) C4'-P energy: -44.578
bonds (distance) P-C4' energy: -48.888
flat angles C4'-P-C4' energy: -51.402
flat angles P-C4'-P energy: -41.462
tors. eta vs tors. theta energy: -52.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -621.543098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.543098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.543098 (E_RNA)
where:
Base-Base interactions energy: -434.663
where: short stacking energy: -182.524
Base-Backbone interact. energy: 0.294
local terms energy: -187.173538
where:
bonds (distance) C4'-P energy: -40.965
bonds (distance) P-C4' energy: -42.427
flat angles C4'-P-C4' energy: -46.238
flat angles P-C4'-P energy: -17.181
tors. eta vs tors. theta energy: -40.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -634.861313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.861313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.861313 (E_RNA)
where:
Base-Base interactions energy: -426.013
where: short stacking energy: -167.456
Base-Backbone interact. energy: -0.298
local terms energy: -208.550203
where:
bonds (distance) C4'-P energy: -44.346
bonds (distance) P-C4' energy: -61.008
flat angles C4'-P-C4' energy: -41.927
flat angles P-C4'-P energy: -22.502
tors. eta vs tors. theta energy: -38.768
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: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -498.822361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.822361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.822361 (E_RNA)
where:
Base-Base interactions energy: -313.633
where: short stacking energy: -131.612
Base-Backbone interact. energy: -0.167
local terms energy: -185.021718
where:
bonds (distance) C4'-P energy: -50.353
bonds (distance) P-C4' energy: -39.343
flat angles C4'-P-C4' energy: -37.187
flat angles P-C4'-P energy: -29.099
tors. eta vs tors. theta energy: -29.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -964.830275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.830275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.830275 (E_RNA)
where:
Base-Base interactions energy: -676.532
where: short stacking energy: -275.309
Base-Backbone interact. energy: 0.507
local terms energy: -288.805107
where:
bonds (distance) C4'-P energy: -48.842
bonds (distance) P-C4' energy: -56.530
flat angles C4'-P-C4' energy: -60.405
flat angles P-C4'-P energy: -46.130
tors. eta vs tors. theta energy: -76.898
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: 4
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -957.047726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.047726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.047726 (E_RNA)
where:
Base-Base interactions energy: -667.367
where: short stacking energy: -286.150
Base-Backbone interact. energy: -1.482
local terms energy: -288.198781
where:
bonds (distance) C4'-P energy: -49.569
bonds (distance) P-C4' energy: -53.306
flat angles C4'-P-C4' energy: -60.851
flat angles P-C4'-P energy: -42.969
tors. eta vs tors. theta energy: -81.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -914.260559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.260559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.260559 (E_RNA)
where:
Base-Base interactions energy: -633.927
where: short stacking energy: -261.123
Base-Backbone interact. energy: -0.514
local terms energy: -279.819465
where:
bonds (distance) C4'-P energy: -49.730
bonds (distance) P-C4' energy: -60.238
flat angles C4'-P-C4' energy: -56.771
flat angles P-C4'-P energy: -38.557
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: 4, replica: 9
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -848.470673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.470673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.470673 (E_RNA)
where:
Base-Base interactions energy: -582.735
where: short stacking energy: -236.291
Base-Backbone interact. energy: 2.049
local terms energy: -267.784956
where:
bonds (distance) C4'-P energy: -48.727
bonds (distance) P-C4' energy: -57.808
flat angles C4'-P-C4' energy: -54.975
flat angles P-C4'-P energy: -38.746
tors. eta vs tors. theta energy: -67.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -819.685903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.685903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.685903 (E_RNA)
where:
Base-Base interactions energy: -575.471
where: short stacking energy: -235.567
Base-Backbone interact. energy: 1.083
local terms energy: -245.297220
where:
bonds (distance) C4'-P energy: -34.026
bonds (distance) P-C4' energy: -59.592
flat angles C4'-P-C4' energy: -56.169
flat angles P-C4'-P energy: -33.932
tors. eta vs tors. theta energy: -61.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -813.176303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.176303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.176303 (E_RNA)
where:
Base-Base interactions energy: -583.616
where: short stacking energy: -215.644
Base-Backbone interact. energy: -2.603
local terms energy: -226.957063
where:
bonds (distance) C4'-P energy: -49.893
bonds (distance) P-C4' energy: -41.260
flat angles C4'-P-C4' energy: -45.333
flat angles P-C4'-P energy: -23.757
tors. eta vs tors. theta energy: -66.714
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: 2
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -710.927645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.927645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.927645 (E_RNA)
where:
Base-Base interactions energy: -465.254
where: short stacking energy: -200.367
Base-Backbone interact. energy: -1.194
local terms energy: -244.479360
where:
bonds (distance) C4'-P energy: -50.226
bonds (distance) P-C4' energy: -55.594
flat angles C4'-P-C4' energy: -51.664
flat angles P-C4'-P energy: -37.976
tors. eta vs tors. theta energy: -49.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -665.291479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.291479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.291479 (E_RNA)
where:
Base-Base interactions energy: -440.752
where: short stacking energy: -182.526
Base-Backbone interact. energy: -1.501
local terms energy: -223.038157
where:
bonds (distance) C4'-P energy: -40.445
bonds (distance) P-C4' energy: -56.712
flat angles C4'-P-C4' energy: -53.828
flat angles P-C4'-P energy: -23.968
tors. eta vs tors. theta energy: -48.084
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: 8
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -583.835339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.835339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.835339 (E_RNA)
where:
Base-Base interactions energy: -401.025
where: short stacking energy: -163.836
Base-Backbone interact. energy: -1.405
local terms energy: -181.405156
where:
bonds (distance) C4'-P energy: -51.793
bonds (distance) P-C4' energy: -36.069
flat angles C4'-P-C4' energy: -37.615
flat angles P-C4'-P energy: -30.739
tors. eta vs tors. theta energy: -25.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -508.706039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.706039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.706039 (E_RNA)
where:
Base-Base interactions energy: -324.689
where: short stacking energy: -141.175
Base-Backbone interact. energy: 1.616
local terms energy: -185.633071
where:
bonds (distance) C4'-P energy: -45.397
bonds (distance) P-C4' energy: -48.564
flat angles C4'-P-C4' energy: -45.380
flat angles P-C4'-P energy: -28.517
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -961.070363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.070363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.070363 (E_RNA)
where:
Base-Base interactions energy: -672.349
where: short stacking energy: -291.882
Base-Backbone interact. energy: -1.081
local terms energy: -287.640555
where:
bonds (distance) C4'-P energy: -50.638
bonds (distance) P-C4' energy: -54.976
flat angles C4'-P-C4' energy: -59.888
flat angles P-C4'-P energy: -39.470
tors. eta vs tors. theta energy: -82.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -928.611980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.611980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.611980 (E_RNA)
where:
Base-Base interactions energy: -650.283
where: short stacking energy: -266.165
Base-Backbone interact. energy: -3.068
local terms energy: -275.260823
where:
bonds (distance) C4'-P energy: -49.947
bonds (distance) P-C4' energy: -56.737
flat angles C4'-P-C4' energy: -60.449
flat angles P-C4'-P energy: -33.384
tors. eta vs tors. theta energy: -74.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -907.497742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.497742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.497742 (E_RNA)
where:
Base-Base interactions energy: -637.744
where: short stacking energy: -262.222
Base-Backbone interact. energy: -2.326
local terms energy: -267.427851
where:
bonds (distance) C4'-P energy: -53.115
bonds (distance) P-C4' energy: -48.188
flat angles C4'-P-C4' energy: -54.131
flat angles P-C4'-P energy: -36.566
tors. eta vs tors. theta energy: -75.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -867.741465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.741465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.741465 (E_RNA)
where:
Base-Base interactions energy: -615.023
where: short stacking energy: -248.595
Base-Backbone interact. energy: -3.695
local terms energy: -249.023594
where:
bonds (distance) C4'-P energy: -47.010
bonds (distance) P-C4' energy: -51.620
flat angles C4'-P-C4' energy: -55.412
flat angles P-C4'-P energy: -27.721
tors. eta vs tors. theta energy: -67.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -848.153619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.153619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.153619 (E_RNA)
where:
Base-Base interactions energy: -601.569
where: short stacking energy: -235.504
Base-Backbone interact. energy: -1.813
local terms energy: -244.772161
where:
bonds (distance) C4'-P energy: -44.361
bonds (distance) P-C4' energy: -45.915
flat angles C4'-P-C4' energy: -58.092
flat angles P-C4'-P energy: -34.830
tors. eta vs tors. theta energy: -61.574
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: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -821.520079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.520079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.520079 (E_RNA)
where:
Base-Base interactions energy: -576.915
where: short stacking energy: -224.071
Base-Backbone interact. energy: -1.450
local terms energy: -243.155717
where:
bonds (distance) C4'-P energy: -45.321
bonds (distance) P-C4' energy: -52.339
flat angles C4'-P-C4' energy: -49.070
flat angles P-C4'-P energy: -36.828
tors. eta vs tors. theta energy: -59.599
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: 7
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -698.182623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.182623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.182623 (E_RNA)
where:
Base-Base interactions energy: -452.250
where: short stacking energy: -185.881
Base-Backbone interact. energy: 0.472
local terms energy: -246.404714
where:
bonds (distance) C4'-P energy: -51.002
bonds (distance) P-C4' energy: -57.705
flat angles C4'-P-C4' energy: -57.647
flat angles P-C4'-P energy: -36.810
tors. eta vs tors. theta energy: -43.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -681.323680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.323680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.323680 (E_RNA)
where:
Base-Base interactions energy: -460.495
where: short stacking energy: -196.242
Base-Backbone interact. energy: 1.045
local terms energy: -221.874257
where:
bonds (distance) C4'-P energy: -47.855
bonds (distance) P-C4' energy: -47.476
flat angles C4'-P-C4' energy: -45.667
flat angles P-C4'-P energy: -32.520
tors. eta vs tors. theta energy: -48.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -601.930676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.930676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.930676 (E_RNA)
where:
Base-Base interactions energy: -389.080
where: short stacking energy: -177.863
Base-Backbone interact. energy: 1.253
local terms energy: -214.103723
where:
bonds (distance) C4'-P energy: -45.344
bonds (distance) P-C4' energy: -52.556
flat angles C4'-P-C4' energy: -52.224
flat angles P-C4'-P energy: -29.033
tors. eta vs tors. theta energy: -34.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -465.192346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.192346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.192346 (E_RNA)
where:
Base-Base interactions energy: -288.438
where: short stacking energy: -135.261
Base-Backbone interact. energy: -0.299
local terms energy: -176.455198
where:
bonds (distance) C4'-P energy: -41.204
bonds (distance) P-C4' energy: -42.814
flat angles C4'-P-C4' energy: -39.720
flat angles P-C4'-P energy: -24.243
tors. eta vs tors. theta energy: -28.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -970.540836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.540836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.540836 (E_RNA)
where:
Base-Base interactions energy: -683.913
where: short stacking energy: -289.007
Base-Backbone interact. energy: 0.932
local terms energy: -287.560382
where:
bonds (distance) C4'-P energy: -51.644
bonds (distance) P-C4' energy: -52.347
flat angles C4'-P-C4' energy: -57.232
flat angles P-C4'-P energy: -44.298
tors. eta vs tors. theta energy: -82.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -921.468447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.468447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.468447 (E_RNA)
where:
Base-Base interactions energy: -651.184
where: short stacking energy: -261.714
Base-Backbone interact. energy: -0.624
local terms energy: -269.660211
where:
bonds (distance) C4'-P energy: -58.402
bonds (distance) P-C4' energy: -42.332
flat angles C4'-P-C4' energy: -58.073
flat angles P-C4'-P energy: -35.349
tors. eta vs tors. theta energy: -75.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -939.999296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.999296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.999296 (E_RNA)
where:
Base-Base interactions energy: -672.267
where: short stacking energy: -265.586
Base-Backbone interact. energy: -3.225
local terms energy: -264.507093
where:
bonds (distance) C4'-P energy: -48.921
bonds (distance) P-C4' energy: -44.651
flat angles C4'-P-C4' energy: -53.055
flat angles P-C4'-P energy: -41.801
tors. eta vs tors. theta energy: -76.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -863.535333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.535333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.535333 (E_RNA)
where:
Base-Base interactions energy: -597.166
where: short stacking energy: -247.542
Base-Backbone interact. energy: -0.446
local terms energy: -265.923480
where:
bonds (distance) C4'-P energy: -53.135
bonds (distance) P-C4' energy: -56.143
flat angles C4'-P-C4' energy: -55.215
flat angles P-C4'-P energy: -40.726
tors. eta vs tors. theta energy: -60.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -855.011835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.011835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.011835 (E_RNA)
where:
Base-Base interactions energy: -595.807
where: short stacking energy: -250.445
Base-Backbone interact. energy: -0.812
local terms energy: -258.392738
where:
bonds (distance) C4'-P energy: -47.340
bonds (distance) P-C4' energy: -54.279
flat angles C4'-P-C4' energy: -49.580
flat angles P-C4'-P energy: -35.376
tors. eta vs tors. theta energy: -71.818
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: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -780.711483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.711483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.711483 (E_RNA)
where:
Base-Base interactions energy: -522.015
where: short stacking energy: -213.868
Base-Backbone interact. energy: -1.526
local terms energy: -257.170959
where:
bonds (distance) C4'-P energy: -54.695
bonds (distance) P-C4' energy: -48.726
flat angles C4'-P-C4' energy: -51.780
flat angles P-C4'-P energy: -43.443
tors. eta vs tors. theta energy: -58.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -705.661234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.661234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.661234 (E_RNA)
where:
Base-Base interactions energy: -475.383
where: short stacking energy: -207.390
Base-Backbone interact. energy: -2.146
local terms energy: -228.132464
where:
bonds (distance) C4'-P energy: -46.360
bonds (distance) P-C4' energy: -45.229
flat angles C4'-P-C4' energy: -50.455
flat angles P-C4'-P energy: -34.913
tors. eta vs tors. theta energy: -51.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -657.970166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.970166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.970166 (E_RNA)
where:
Base-Base interactions energy: -419.278
where: short stacking energy: -193.570
Base-Backbone interact. energy: 0.300
local terms energy: -238.992061
where:
bonds (distance) C4'-P energy: -46.489
bonds (distance) P-C4' energy: -59.281
flat angles C4'-P-C4' energy: -53.654
flat angles P-C4'-P energy: -35.970
tors. eta vs tors. theta energy: -43.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -617.212916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.212916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.212916 (E_RNA)
where:
Base-Base interactions energy: -432.748
where: short stacking energy: -176.510
Base-Backbone interact. energy: 0.238
local terms energy: -184.702996
where:
bonds (distance) C4'-P energy: -33.298
bonds (distance) P-C4' energy: -38.985
flat angles C4'-P-C4' energy: -47.445
flat angles P-C4'-P energy: -25.007
tors. eta vs tors. theta energy: -39.968
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: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -449.995992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.995992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.995992 (E_RNA)
where:
Base-Base interactions energy: -265.569
where: short stacking energy: -143.392
Base-Backbone interact. energy: -0.618
local terms energy: -183.808514
where:
bonds (distance) C4'-P energy: -48.119
bonds (distance) P-C4' energy: -43.636
flat angles C4'-P-C4' energy: -43.603
flat angles P-C4'-P energy: -25.447
tors. eta vs tors. theta energy: -23.004
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: 1, replica: 4
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -980.452591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.452591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.452591 (E_RNA)
where:
Base-Base interactions energy: -695.434
where: short stacking energy: -279.711
Base-Backbone interact. energy: -0.451
local terms energy: -284.567648
where:
bonds (distance) C4'-P energy: -47.426
bonds (distance) P-C4' energy: -51.276
flat angles C4'-P-C4' energy: -60.123
flat angles P-C4'-P energy: -49.811
tors. eta vs tors. theta energy: -75.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -929.176242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.176242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.176242 (E_RNA)
where:
Base-Base interactions energy: -657.481
where: short stacking energy: -252.236
Base-Backbone interact. energy: -1.594
local terms energy: -270.101247
where:
bonds (distance) C4'-P energy: -48.599
bonds (distance) P-C4' energy: -46.309
flat angles C4'-P-C4' energy: -57.776
flat angles P-C4'-P energy: -39.180
tors. eta vs tors. theta energy: -78.237
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: 6
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -891.447865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.447865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.447865 (E_RNA)
where:
Base-Base interactions energy: -628.708
where: short stacking energy: -252.548
Base-Backbone interact. energy: -1.697
local terms energy: -261.043063
where:
bonds (distance) C4'-P energy: -51.975
bonds (distance) P-C4' energy: -43.611
flat angles C4'-P-C4' energy: -56.931
flat angles P-C4'-P energy: -46.115
tors. eta vs tors. theta energy: -62.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -896.084490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.084490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.084490 (E_RNA)
where:
Base-Base interactions energy: -640.937
where: short stacking energy: -267.187
Base-Backbone interact. energy: 3.070
local terms energy: -258.217069
where:
bonds (distance) C4'-P energy: -50.087
bonds (distance) P-C4' energy: -44.160
flat angles C4'-P-C4' energy: -58.146
flat angles P-C4'-P energy: -32.015
tors. eta vs tors. theta energy: -73.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -841.403212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.403212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.403212 (E_RNA)
where:
Base-Base interactions energy: -592.770
where: short stacking energy: -234.350
Base-Backbone interact. energy: -0.689
local terms energy: -247.944784
where:
bonds (distance) C4'-P energy: -45.478
bonds (distance) P-C4' energy: -46.769
flat angles C4'-P-C4' energy: -56.049
flat angles P-C4'-P energy: -34.088
tors. eta vs tors. theta energy: -65.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -769.795445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.795445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.795445 (E_RNA)
where:
Base-Base interactions energy: -542.481
where: short stacking energy: -205.558
Base-Backbone interact. energy: -0.488
local terms energy: -226.826590
where:
bonds (distance) C4'-P energy: -40.045
bonds (distance) P-C4' energy: -48.502
flat angles C4'-P-C4' energy: -49.321
flat angles P-C4'-P energy: -35.400
tors. eta vs tors. theta energy: -53.557
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: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -630.623160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.623160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.623160 (E_RNA)
where:
Base-Base interactions energy: -404.402
where: short stacking energy: -179.606
Base-Backbone interact. energy: -0.752
local terms energy: -225.469930
where:
bonds (distance) C4'-P energy: -46.364
bonds (distance) P-C4' energy: -50.044
flat angles C4'-P-C4' energy: -52.999
flat angles P-C4'-P energy: -31.654
tors. eta vs tors. theta energy: -44.409
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: 7
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -656.084111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.084111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.084111 (E_RNA)
where:
Base-Base interactions energy: -456.939
where: short stacking energy: -200.096
Base-Backbone interact. energy: -1.018
local terms energy: -198.127388
where:
bonds (distance) C4'-P energy: -42.517
bonds (distance) P-C4' energy: -35.643
flat angles C4'-P-C4' energy: -42.791
flat angles P-C4'-P energy: -30.414
tors. eta vs tors. theta energy: -46.762
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: 2
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -620.632784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.632784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.632784 (E_RNA)
where:
Base-Base interactions energy: -436.586
where: short stacking energy: -181.470
Base-Backbone interact. energy: -1.087
local terms energy: -182.959997
where:
bonds (distance) C4'-P energy: -42.540
bonds (distance) P-C4' energy: -29.869
flat angles C4'-P-C4' energy: -49.226
flat angles P-C4'-P energy: -19.905
tors. eta vs tors. theta energy: -41.420
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: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -442.943125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.943125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.943125 (E_RNA)
where:
Base-Base interactions energy: -265.474
where: short stacking energy: -125.021
Base-Backbone interact. energy: -0.659
local terms energy: -176.810385
where:
bonds (distance) C4'-P energy: -39.333
bonds (distance) P-C4' energy: -33.635
flat angles C4'-P-C4' energy: -56.344
flat angles P-C4'-P energy: -29.163
tors. eta vs tors. theta energy: -18.336
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: 4
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -964.912631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.912631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.912631 (E_RNA)
where:
Base-Base interactions energy: -682.244
where: short stacking energy: -263.764
Base-Backbone interact. energy: -2.511
local terms energy: -280.157168
where:
bonds (distance) C4'-P energy: -58.105
bonds (distance) P-C4' energy: -47.620
flat angles C4'-P-C4' energy: -56.496
flat angles P-C4'-P energy: -43.996
tors. eta vs tors. theta energy: -73.939
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: 1
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -969.912300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.912300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.912300 (E_RNA)
where:
Base-Base interactions energy: -670.855
where: short stacking energy: -281.597
Base-Backbone interact. energy: -1.554
local terms energy: -297.503748
where:
bonds (distance) C4'-P energy: -45.389
bonds (distance) P-C4' energy: -60.683
flat angles C4'-P-C4' energy: -62.101
flat angles P-C4'-P energy: -45.376
tors. eta vs tors. theta energy: -83.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -893.647793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.647793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.647793 (E_RNA)
where:
Base-Base interactions energy: -639.183
where: short stacking energy: -263.958
Base-Backbone interact. energy: -1.610
local terms energy: -252.854693
where:
bonds (distance) C4'-P energy: -45.414
bonds (distance) P-C4' energy: -47.179
flat angles C4'-P-C4' energy: -46.691
flat angles P-C4'-P energy: -44.400
tors. eta vs tors. theta energy: -69.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -897.605520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.605520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.605520 (E_RNA)
where:
Base-Base interactions energy: -632.339
where: short stacking energy: -262.796
Base-Backbone interact. energy: 0.945
local terms energy: -266.211558
where:
bonds (distance) C4'-P energy: -47.892
bonds (distance) P-C4' energy: -55.737
flat angles C4'-P-C4' energy: -61.480
flat angles P-C4'-P energy: -34.953
tors. eta vs tors. theta energy: -66.150
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: 9
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -878.401779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.401779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.401779 (E_RNA)
where:
Base-Base interactions energy: -629.333
where: short stacking energy: -247.876
Base-Backbone interact. energy: -1.421
local terms energy: -247.648505
where:
bonds (distance) C4'-P energy: -46.101
bonds (distance) P-C4' energy: -51.020
flat angles C4'-P-C4' energy: -50.097
flat angles P-C4'-P energy: -30.024
tors. eta vs tors. theta energy: -70.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -784.778716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.778716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.778716 (E_RNA)
where:
Base-Base interactions energy: -555.929
where: short stacking energy: -233.767
Base-Backbone interact. energy: -1.253
local terms energy: -227.596313
where:
bonds (distance) C4'-P energy: -43.112
bonds (distance) P-C4' energy: -52.153
flat angles C4'-P-C4' energy: -47.268
flat angles P-C4'-P energy: -29.100
tors. eta vs tors. theta energy: -55.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -687.981079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.981079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.981079 (E_RNA)
where:
Base-Base interactions energy: -464.672
where: short stacking energy: -198.811
Base-Backbone interact. energy: 0.086
local terms energy: -223.395290
where:
bonds (distance) C4'-P energy: -44.098
bonds (distance) P-C4' energy: -45.915
flat angles C4'-P-C4' energy: -54.982
flat angles P-C4'-P energy: -33.482
tors. eta vs tors. theta energy: -44.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -660.166241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.166241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.166241 (E_RNA)
where:
Base-Base interactions energy: -434.961
where: short stacking energy: -185.495
Base-Backbone interact. energy: -0.018
local terms energy: -225.187532
where:
bonds (distance) C4'-P energy: -35.554
bonds (distance) P-C4' energy: -47.648
flat angles C4'-P-C4' energy: -62.573
flat angles P-C4'-P energy: -31.051
tors. eta vs tors. theta energy: -48.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -639.541168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.541168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.541168 (E_RNA)
where:
Base-Base interactions energy: -427.063
where: short stacking energy: -184.275
Base-Backbone interact. energy: 1.013
local terms energy: -213.491366
where:
bonds (distance) C4'-P energy: -51.558
bonds (distance) P-C4' energy: -49.611
flat angles C4'-P-C4' energy: -46.849
flat angles P-C4'-P energy: -33.208
tors. eta vs tors. theta energy: -32.265
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: 3
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -478.819700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.819700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.819700 (E_RNA)
where:
Base-Base interactions energy: -282.867
where: short stacking energy: -127.364
Base-Backbone interact. energy: -1.167
local terms energy: -194.786156
where:
bonds (distance) C4'-P energy: -46.272
bonds (distance) P-C4' energy: -46.323
flat angles C4'-P-C4' energy: -50.094
flat angles P-C4'-P energy: -24.137
tors. eta vs tors. theta energy: -27.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -968.081817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.081817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.081817 (E_RNA)
where:
Base-Base interactions energy: -680.370
where: short stacking energy: -279.753
Base-Backbone interact. energy: -1.486
local terms energy: -286.226510
where:
bonds (distance) C4'-P energy: -54.818
bonds (distance) P-C4' energy: -47.836
flat angles C4'-P-C4' energy: -54.013
flat angles P-C4'-P energy: -48.776
tors. eta vs tors. theta energy: -80.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -949.205131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.205131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.205131 (E_RNA)
where:
Base-Base interactions energy: -666.118
where: short stacking energy: -263.225
Base-Backbone interact. energy: -2.070
local terms energy: -281.017160
where:
bonds (distance) C4'-P energy: -50.757
bonds (distance) P-C4' energy: -55.253
flat angles C4'-P-C4' energy: -58.642
flat angles P-C4'-P energy: -34.168
tors. eta vs tors. theta energy: -82.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -880.936341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.936341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.936341 (E_RNA)
where:
Base-Base interactions energy: -619.307
where: short stacking energy: -236.895
Base-Backbone interact. energy: -0.870
local terms energy: -260.758991
where:
bonds (distance) C4'-P energy: -49.127
bonds (distance) P-C4' energy: -55.580
flat angles C4'-P-C4' energy: -59.561
flat angles P-C4'-P energy: -36.111
tors. eta vs tors. theta energy: -60.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -877.437764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.437764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.437764 (E_RNA)
where:
Base-Base interactions energy: -626.386
where: short stacking energy: -255.313
Base-Backbone interact. energy: -0.985
local terms energy: -250.066616
where:
bonds (distance) C4'-P energy: -46.060
bonds (distance) P-C4' energy: -46.393
flat angles C4'-P-C4' energy: -46.016
flat angles P-C4'-P energy: -43.420
tors. eta vs tors. theta energy: -68.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -852.546024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.546024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.546024 (E_RNA)
where:
Base-Base interactions energy: -582.858
where: short stacking energy: -244.614
Base-Backbone interact. energy: -0.755
local terms energy: -268.933078
where:
bonds (distance) C4'-P energy: -53.045
bonds (distance) P-C4' energy: -49.684
flat angles C4'-P-C4' energy: -56.374
flat angles P-C4'-P energy: -40.019
tors. eta vs tors. theta energy: -69.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -770.821718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.821718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.821718 (E_RNA)
where:
Base-Base interactions energy: -537.385
where: short stacking energy: -220.965
Base-Backbone interact. energy: -1.350
local terms energy: -232.086949
where:
bonds (distance) C4'-P energy: -44.473
bonds (distance) P-C4' energy: -54.866
flat angles C4'-P-C4' energy: -42.611
flat angles P-C4'-P energy: -35.920
tors. eta vs tors. theta energy: -54.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -653.405688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.405688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.405688 (E_RNA)
where:
Base-Base interactions energy: -434.294
where: short stacking energy: -197.815
Base-Backbone interact. energy: 0.776
local terms energy: -219.887611
where:
bonds (distance) C4'-P energy: -56.635
bonds (distance) P-C4' energy: -43.798
flat angles C4'-P-C4' energy: -50.334
flat angles P-C4'-P energy: -29.565
tors. eta vs tors. theta energy: -39.556
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: 2
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -660.211780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.211780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.211780 (E_RNA)
where:
Base-Base interactions energy: -445.219
where: short stacking energy: -173.084
Base-Backbone interact. energy: -2.076
local terms energy: -212.916547
where:
bonds (distance) C4'-P energy: -37.381
bonds (distance) P-C4' energy: -46.184
flat angles C4'-P-C4' energy: -58.137
flat angles P-C4'-P energy: -31.205
tors. eta vs tors. theta energy: -40.009
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: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -622.685107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.685107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.685107 (E_RNA)
where:
Base-Base interactions energy: -424.287
where: short stacking energy: -191.257
Base-Backbone interact. energy: -0.438
local terms energy: -197.959743
where:
bonds (distance) C4'-P energy: -33.834
bonds (distance) P-C4' energy: -49.629
flat angles C4'-P-C4' energy: -50.067
flat angles P-C4'-P energy: -19.495
tors. eta vs tors. theta energy: -44.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -447.889830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.889830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.889830 (E_RNA)
where:
Base-Base interactions energy: -260.898
where: short stacking energy: -133.509
Base-Backbone interact. energy: 0.413
local terms energy: -187.404861
where:
bonds (distance) C4'-P energy: -43.526
bonds (distance) P-C4' energy: -51.344
flat angles C4'-P-C4' energy: -48.809
flat angles P-C4'-P energy: -30.624
tors. eta vs tors. theta energy: -13.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -962.456354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.456354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.456354 (E_RNA)
where:
Base-Base interactions energy: -679.923
where: short stacking energy: -277.652
Base-Backbone interact. energy: -1.693
local terms energy: -280.840837
where:
bonds (distance) C4'-P energy: -47.811
bonds (distance) P-C4' energy: -51.418
flat angles C4'-P-C4' energy: -58.448
flat angles P-C4'-P energy: -42.058
tors. eta vs tors. theta energy: -81.106
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: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -951.693597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.693597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.693597 (E_RNA)
where:
Base-Base interactions energy: -669.315
where: short stacking energy: -279.039
Base-Backbone interact. energy: -0.968
local terms energy: -281.410137
where:
bonds (distance) C4'-P energy: -52.467
bonds (distance) P-C4' energy: -50.765
flat angles C4'-P-C4' energy: -58.188
flat angles P-C4'-P energy: -44.617
tors. eta vs tors. theta energy: -75.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -886.800843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.800843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.800843 (E_RNA)
where:
Base-Base interactions energy: -613.603
where: short stacking energy: -253.382
Base-Backbone interact. energy: -0.912
local terms energy: -272.286168
where:
bonds (distance) C4'-P energy: -56.634
bonds (distance) P-C4' energy: -50.273
flat angles C4'-P-C4' energy: -56.578
flat angles P-C4'-P energy: -44.670
tors. eta vs tors. theta energy: -64.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -896.988274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.988274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.988274 (E_RNA)
where:
Base-Base interactions energy: -626.564
where: short stacking energy: -256.001
Base-Backbone interact. energy: -1.441
local terms energy: -268.982876
where:
bonds (distance) C4'-P energy: -42.335
bonds (distance) P-C4' energy: -53.425
flat angles C4'-P-C4' energy: -56.529
flat angles P-C4'-P energy: -39.675
tors. eta vs tors. theta energy: -77.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -816.118517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.118517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.118517 (E_RNA)
where:
Base-Base interactions energy: -559.081
where: short stacking energy: -236.143
Base-Backbone interact. energy: -1.121
local terms energy: -255.916656
where:
bonds (distance) C4'-P energy: -54.738
bonds (distance) P-C4' energy: -42.369
flat angles C4'-P-C4' energy: -54.909
flat angles P-C4'-P energy: -37.044
tors. eta vs tors. theta energy: -66.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -772.168685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.168685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.168685 (E_RNA)
where:
Base-Base interactions energy: -546.913
where: short stacking energy: -239.287
Base-Backbone interact. energy: -0.519
local terms energy: -224.737282
where:
bonds (distance) C4'-P energy: -33.083
bonds (distance) P-C4' energy: -50.522
flat angles C4'-P-C4' energy: -48.547
flat angles P-C4'-P energy: -32.649
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: 7, replica: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -677.272895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.272895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.272895 (E_RNA)
where:
Base-Base interactions energy: -458.765
where: short stacking energy: -197.642
Base-Backbone interact. energy: 0.185
local terms energy: -218.692824
where:
bonds (distance) C4'-P energy: -42.175
bonds (distance) P-C4' energy: -51.590
flat angles C4'-P-C4' energy: -49.086
flat angles P-C4'-P energy: -22.961
tors. eta vs tors. theta energy: -52.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -673.094130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.094130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.094130 (E_RNA)
where:
Base-Base interactions energy: -457.670
where: short stacking energy: -192.259
Base-Backbone interact. energy: -1.357
local terms energy: -214.067861
where:
bonds (distance) C4'-P energy: -44.630
bonds (distance) P-C4' energy: -51.720
flat angles C4'-P-C4' energy: -48.434
flat angles P-C4'-P energy: -29.710
tors. eta vs tors. theta energy: -39.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -627.049207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.049207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.049207 (E_RNA)
where:
Base-Base interactions energy: -426.179
where: short stacking energy: -177.931
Base-Backbone interact. energy: 0.533
local terms energy: -201.403478
where:
bonds (distance) C4'-P energy: -41.400
bonds (distance) P-C4' energy: -38.849
flat angles C4'-P-C4' energy: -47.229
flat angles P-C4'-P energy: -37.570
tors. eta vs tors. theta energy: -36.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -436.684708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.684708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.684708 (E_RNA)
where:
Base-Base interactions energy: -279.018
where: short stacking energy: -135.300
Base-Backbone interact. energy: 1.812
local terms energy: -159.479058
where:
bonds (distance) C4'-P energy: -42.054
bonds (distance) P-C4' energy: -36.369
flat angles C4'-P-C4' energy: -37.010
flat angles P-C4'-P energy: -27.081
tors. eta vs tors. theta energy: -16.964
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: 1, replica: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -968.268654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.268654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.268654 (E_RNA)
where:
Base-Base interactions energy: -677.095
where: short stacking energy: -287.467
Base-Backbone interact. energy: -0.741
local terms energy: -290.432528
where:
bonds (distance) C4'-P energy: -54.392
bonds (distance) P-C4' energy: -53.724
flat angles C4'-P-C4' energy: -61.051
flat angles P-C4'-P energy: -41.748
tors. eta vs tors. theta energy: -79.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -957.051183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.051183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.051183 (E_RNA)
where:
Base-Base interactions energy: -660.268
where: short stacking energy: -279.728
Base-Backbone interact. energy: -0.862
local terms energy: -295.921453
where:
bonds (distance) C4'-P energy: -51.389
bonds (distance) P-C4' energy: -54.422
flat angles C4'-P-C4' energy: -62.656
flat angles P-C4'-P energy: -49.008
tors. eta vs tors. theta energy: -78.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -878.541871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.541871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.541871 (E_RNA)
where:
Base-Base interactions energy: -601.309
where: short stacking energy: -239.957
Base-Backbone interact. energy: -1.104
local terms energy: -276.128480
where:
bonds (distance) C4'-P energy: -54.085
bonds (distance) P-C4' energy: -55.023
flat angles C4'-P-C4' energy: -54.346
flat angles P-C4'-P energy: -44.642
tors. eta vs tors. theta energy: -68.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -922.471809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.471809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.471809 (E_RNA)
where:
Base-Base interactions energy: -651.438
where: short stacking energy: -267.040
Base-Backbone interact. energy: -1.172
local terms energy: -269.862452
where:
bonds (distance) C4'-P energy: -41.316
bonds (distance) P-C4' energy: -55.175
flat angles C4'-P-C4' energy: -56.597
flat angles P-C4'-P energy: -40.397
tors. eta vs tors. theta energy: -76.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -839.929810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.929810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.929810 (E_RNA)
where:
Base-Base interactions energy: -579.099
where: short stacking energy: -252.547
Base-Backbone interact. energy: 4.617
local terms energy: -265.448606
where:
bonds (distance) C4'-P energy: -51.560
bonds (distance) P-C4' energy: -49.825
flat angles C4'-P-C4' energy: -57.465
flat angles P-C4'-P energy: -31.974
tors. eta vs tors. theta energy: -74.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -771.675722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.675722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.675722 (E_RNA)
where:
Base-Base interactions energy: -544.022
where: short stacking energy: -221.180
Base-Backbone interact. energy: -1.270
local terms energy: -226.384120
where:
bonds (distance) C4'-P energy: -39.872
bonds (distance) P-C4' energy: -51.240
flat angles C4'-P-C4' energy: -45.214
flat angles P-C4'-P energy: -37.733
tors. eta vs tors. theta energy: -52.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -670.796892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.796892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.796892 (E_RNA)
where:
Base-Base interactions energy: -455.535
where: short stacking energy: -185.645
Base-Backbone interact. energy: -1.436
local terms energy: -213.826212
where:
bonds (distance) C4'-P energy: -43.192
bonds (distance) P-C4' energy: -44.451
flat angles C4'-P-C4' energy: -50.118
flat angles P-C4'-P energy: -36.908
tors. eta vs tors. theta energy: -39.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -680.103506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.103506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.103506 (E_RNA)
where:
Base-Base interactions energy: -450.897
where: short stacking energy: -206.178
Base-Backbone interact. energy: -0.819
local terms energy: -228.387309
where:
bonds (distance) C4'-P energy: -43.380
bonds (distance) P-C4' energy: -53.381
flat angles C4'-P-C4' energy: -46.507
flat angles P-C4'-P energy: -33.609
tors. eta vs tors. theta energy: -51.510
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: 9, replica: 7
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -597.820966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.820966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.820966 (E_RNA)
where:
Base-Base interactions energy: -412.659
where: short stacking energy: -183.335
Base-Backbone interact. energy: -1.385
local terms energy: -183.776120
where:
bonds (distance) C4'-P energy: -32.876
bonds (distance) P-C4' energy: -41.233
flat angles C4'-P-C4' energy: -42.473
flat angles P-C4'-P energy: -33.177
tors. eta vs tors. theta energy: -34.017
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: 3
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -457.028956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.028956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.028956 (E_RNA)
where:
Base-Base interactions energy: -261.543
where: short stacking energy: -123.712
Base-Backbone interact. energy: -1.084
local terms energy: -194.401644
where:
bonds (distance) C4'-P energy: -43.859
bonds (distance) P-C4' energy: -52.631
flat angles C4'-P-C4' energy: -37.414
flat angles P-C4'-P energy: -33.063
tors. eta vs tors. theta energy: -27.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -961.303245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.303245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.303245 (E_RNA)
where:
Base-Base interactions energy: -674.772
where: short stacking energy: -282.405
Base-Backbone interact. energy: -3.138
local terms energy: -283.393117
where:
bonds (distance) C4'-P energy: -53.898
bonds (distance) P-C4' energy: -56.295
flat angles C4'-P-C4' energy: -57.702
flat angles P-C4'-P energy: -35.627
tors. eta vs tors. theta energy: -79.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -955.456995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.456995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.456995 (E_RNA)
where:
Base-Base interactions energy: -662.988
where: short stacking energy: -263.040
Base-Backbone interact. energy: -1.548
local terms energy: -290.921037
where:
bonds (distance) C4'-P energy: -55.906
bonds (distance) P-C4' energy: -54.474
flat angles C4'-P-C4' energy: -55.606
flat angles P-C4'-P energy: -44.833
tors. eta vs tors. theta energy: -80.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -879.022892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.022892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.022892 (E_RNA)
where:
Base-Base interactions energy: -599.224
where: short stacking energy: -250.759
Base-Backbone interact. energy: -2.184
local terms energy: -277.615149
where:
bonds (distance) C4'-P energy: -52.853
bonds (distance) P-C4' energy: -49.614
flat angles C4'-P-C4' energy: -62.782
flat angles P-C4'-P energy: -42.641
tors. eta vs tors. theta energy: -69.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -902.607646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.607646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.607646 (E_RNA)
where:
Base-Base interactions energy: -639.436
where: short stacking energy: -263.055
Base-Backbone interact. energy: -1.464
local terms energy: -261.707570
where:
bonds (distance) C4'-P energy: -40.357
bonds (distance) P-C4' energy: -54.037
flat angles C4'-P-C4' energy: -57.559
flat angles P-C4'-P energy: -36.958
tors. eta vs tors. theta energy: -72.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -859.821032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.821032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.821032 (E_RNA)
where:
Base-Base interactions energy: -603.897
where: short stacking energy: -245.519
Base-Backbone interact. energy: 1.681
local terms energy: -257.604345
where:
bonds (distance) C4'-P energy: -41.793
bonds (distance) P-C4' energy: -46.995
flat angles C4'-P-C4' energy: -55.544
flat angles P-C4'-P energy: -39.965
tors. eta vs tors. theta energy: -73.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -757.541555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.541555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.541555 (E_RNA)
where:
Base-Base interactions energy: -527.191
where: short stacking energy: -215.694
Base-Backbone interact. energy: -0.883
local terms energy: -229.467662
where:
bonds (distance) C4'-P energy: -39.987
bonds (distance) P-C4' energy: -50.311
flat angles C4'-P-C4' energy: -50.397
flat angles P-C4'-P energy: -27.692
tors. eta vs tors. theta energy: -61.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -699.001277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.001277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.001277 (E_RNA)
where:
Base-Base interactions energy: -480.765
where: short stacking energy: -212.759
Base-Backbone interact. energy: 0.475
local terms energy: -218.711005
where:
bonds (distance) C4'-P energy: -47.245
bonds (distance) P-C4' energy: -45.973
flat angles C4'-P-C4' energy: -44.096
flat angles P-C4'-P energy: -26.471
tors. eta vs tors. theta energy: -54.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -651.748898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.748898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.748898 (E_RNA)
where:
Base-Base interactions energy: -442.875
where: short stacking energy: -189.283
Base-Backbone interact. energy: -1.565
local terms energy: -207.309015
where:
bonds (distance) C4'-P energy: -46.093
bonds (distance) P-C4' energy: -41.286
flat angles C4'-P-C4' energy: -50.137
flat angles P-C4'-P energy: -29.187
tors. eta vs tors. theta energy: -40.607
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: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -606.763730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.763730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.763730 (E_RNA)
where:
Base-Base interactions energy: -423.966
where: short stacking energy: -173.580
Base-Backbone interact. energy: -1.330
local terms energy: -181.467607
where:
bonds (distance) C4'-P energy: -45.693
bonds (distance) P-C4' energy: -36.311
flat angles C4'-P-C4' energy: -45.565
flat angles P-C4'-P energy: -24.415
tors. eta vs tors. theta energy: -29.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -490.706591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.706591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.706591 (E_RNA)
where:
Base-Base interactions energy: -317.134
where: short stacking energy: -150.388
Base-Backbone interact. energy: -0.590
local terms energy: -172.982294
where:
bonds (distance) C4'-P energy: -25.003
bonds (distance) P-C4' energy: -53.423
flat angles C4'-P-C4' energy: -39.240
flat angles P-C4'-P energy: -28.086
tors. eta vs tors. theta energy: -27.230
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: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -961.596259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.596259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.596259 (E_RNA)
where:
Base-Base interactions energy: -670.765
where: short stacking energy: -279.063
Base-Backbone interact. energy: 0.505
local terms energy: -291.336596
where:
bonds (distance) C4'-P energy: -51.270
bonds (distance) P-C4' energy: -55.004
flat angles C4'-P-C4' energy: -62.785
flat angles P-C4'-P energy: -41.076
tors. eta vs tors. theta energy: -81.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -953.379006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.379006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.379006 (E_RNA)
where:
Base-Base interactions energy: -671.927
where: short stacking energy: -272.564
Base-Backbone interact. energy: 0.443
local terms energy: -281.895710
where:
bonds (distance) C4'-P energy: -46.171
bonds (distance) P-C4' energy: -54.231
flat angles C4'-P-C4' energy: -58.988
flat angles P-C4'-P energy: -43.816
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: 3, replica: 5
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -923.348383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.348383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.348383 (E_RNA)
where:
Base-Base interactions energy: -658.597
where: short stacking energy: -269.023
Base-Backbone interact. energy: -0.666
local terms energy: -264.084468
where:
bonds (distance) C4'-P energy: -47.372
bonds (distance) P-C4' energy: -44.884
flat angles C4'-P-C4' energy: -55.739
flat angles P-C4'-P energy: -40.843
tors. eta vs tors. theta energy: -75.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -875.741075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.741075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.741075 (E_RNA)
where:
Base-Base interactions energy: -623.014
where: short stacking energy: -258.800
Base-Backbone interact. energy: -1.904
local terms energy: -250.823565
where:
bonds (distance) C4'-P energy: -41.950
bonds (distance) P-C4' energy: -51.148
flat angles C4'-P-C4' energy: -52.564
flat angles P-C4'-P energy: -35.845
tors. eta vs tors. theta energy: -69.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -798.454990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.454990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.454990 (E_RNA)
where:
Base-Base interactions energy: -527.257
where: short stacking energy: -208.878
Base-Backbone interact. energy: -1.255
local terms energy: -269.942604
where:
bonds (distance) C4'-P energy: -57.617
bonds (distance) P-C4' energy: -52.353
flat angles C4'-P-C4' energy: -62.491
flat angles P-C4'-P energy: -40.976
tors. eta vs tors. theta energy: -56.505
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: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -757.365073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.365073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.365073 (E_RNA)
where:
Base-Base interactions energy: -527.908
where: short stacking energy: -209.977
Base-Backbone interact. energy: -1.234
local terms energy: -228.223003
where:
bonds (distance) C4'-P energy: -46.412
bonds (distance) P-C4' energy: -53.341
flat angles C4'-P-C4' energy: -48.945
flat angles P-C4'-P energy: -33.269
tors. eta vs tors. theta energy: -46.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -652.650944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.650944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.650944 (E_RNA)
where:
Base-Base interactions energy: -421.576
where: short stacking energy: -194.918
Base-Backbone interact. energy: -0.231
local terms energy: -230.843730
where:
bonds (distance) C4'-P energy: -45.495
bonds (distance) P-C4' energy: -53.653
flat angles C4'-P-C4' energy: -48.571
flat angles P-C4'-P energy: -33.620
tors. eta vs tors. theta energy: -49.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -683.656456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.656456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.656456 (E_RNA)
where:
Base-Base interactions energy: -469.205
where: short stacking energy: -202.620
Base-Backbone interact. energy: 2.494
local terms energy: -216.946215
where:
bonds (distance) C4'-P energy: -44.854
bonds (distance) P-C4' energy: -51.369
flat angles C4'-P-C4' energy: -46.007
flat angles P-C4'-P energy: -20.438
tors. eta vs tors. theta energy: -54.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -621.890914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.890914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.890914 (E_RNA)
where:
Base-Base interactions energy: -423.501
where: short stacking energy: -174.755
Base-Backbone interact. energy: -0.223
local terms energy: -198.166611
where:
bonds (distance) C4'-P energy: -37.043
bonds (distance) P-C4' energy: -44.222
flat angles C4'-P-C4' energy: -46.822
flat angles P-C4'-P energy: -31.573
tors. eta vs tors. theta energy: -38.507
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: 3
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -473.240451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.240451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.240451 (E_RNA)
where:
Base-Base interactions energy: -292.781
where: short stacking energy: -129.376
Base-Backbone interact. energy: 2.236
local terms energy: -182.695903
where:
bonds (distance) C4'-P energy: -38.808
bonds (distance) P-C4' energy: -55.620
flat angles C4'-P-C4' energy: -35.148
flat angles P-C4'-P energy: -27.334
tors. eta vs tors. theta energy: -25.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -969.119101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.119101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.119101 (E_RNA)
where:
Base-Base interactions energy: -672.460
where: short stacking energy: -273.975
Base-Backbone interact. energy: -0.779
local terms energy: -295.879668
where:
bonds (distance) C4'-P energy: -51.661
bonds (distance) P-C4' energy: -57.251
flat angles C4'-P-C4' energy: -60.312
flat angles P-C4'-P energy: -50.101
tors. eta vs tors. theta energy: -76.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -945.561980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.561980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.561980 (E_RNA)
where:
Base-Base interactions energy: -673.826
where: short stacking energy: -263.306
Base-Backbone interact. energy: -0.980
local terms energy: -270.756577
where:
bonds (distance) C4'-P energy: -43.499
bonds (distance) P-C4' energy: -57.165
flat angles C4'-P-C4' energy: -57.973
flat angles P-C4'-P energy: -32.208
tors. eta vs tors. theta energy: -79.911
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: 3, replica: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -927.757080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.757080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.757080 (E_RNA)
where:
Base-Base interactions energy: -640.553
where: short stacking energy: -261.033
Base-Backbone interact. energy: -2.786
local terms energy: -284.417784
where:
bonds (distance) C4'-P energy: -46.828
bonds (distance) P-C4' energy: -56.754
flat angles C4'-P-C4' energy: -61.000
flat angles P-C4'-P energy: -41.799
tors. eta vs tors. theta energy: -78.036
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: 6
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -871.745514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.745514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.745514 (E_RNA)
where:
Base-Base interactions energy: -604.179
where: short stacking energy: -244.928
Base-Backbone interact. energy: -2.672
local terms energy: -264.894344
where:
bonds (distance) C4'-P energy: -46.722
bonds (distance) P-C4' energy: -59.157
flat angles C4'-P-C4' energy: -47.675
flat angles P-C4'-P energy: -44.890
tors. eta vs tors. theta energy: -66.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -772.109379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.109379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.109379 (E_RNA)
where:
Base-Base interactions energy: -525.108
where: short stacking energy: -220.422
Base-Backbone interact. energy: -1.164
local terms energy: -245.836552
where:
bonds (distance) C4'-P energy: -49.791
bonds (distance) P-C4' energy: -46.194
flat angles C4'-P-C4' energy: -49.728
flat angles P-C4'-P energy: -39.333
tors. eta vs tors. theta energy: -60.790
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: 10
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -734.074759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.074759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.074759 (E_RNA)
where:
Base-Base interactions energy: -510.161
where: short stacking energy: -213.142
Base-Backbone interact. energy: 3.058
local terms energy: -226.971523
where:
bonds (distance) C4'-P energy: -50.494
bonds (distance) P-C4' energy: -44.511
flat angles C4'-P-C4' energy: -48.421
flat angles P-C4'-P energy: -31.852
tors. eta vs tors. theta energy: -51.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -661.777799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.777799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.777799 (E_RNA)
where:
Base-Base interactions energy: -425.740
where: short stacking energy: -198.574
Base-Backbone interact. energy: 2.392
local terms energy: -238.430486
where:
bonds (distance) C4'-P energy: -52.129
bonds (distance) P-C4' energy: -54.874
flat angles C4'-P-C4' energy: -54.146
flat angles P-C4'-P energy: -36.763
tors. eta vs tors. theta energy: -40.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -676.087987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.087987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.087987 (E_RNA)
where:
Base-Base interactions energy: -463.678
where: short stacking energy: -199.042
Base-Backbone interact. energy: -1.650
local terms energy: -210.760009
where:
bonds (distance) C4'-P energy: -40.527
bonds (distance) P-C4' energy: -46.120
flat angles C4'-P-C4' energy: -50.311
flat angles P-C4'-P energy: -32.768
tors. eta vs tors. theta energy: -41.033
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: 7
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -630.232148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.232148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.232148 (E_RNA)
where:
Base-Base interactions energy: -421.581
where: short stacking energy: -173.619
Base-Backbone interact. energy: -0.084
local terms energy: -208.567449
where:
bonds (distance) C4'-P energy: -55.899
bonds (distance) P-C4' energy: -47.300
flat angles C4'-P-C4' energy: -40.251
flat angles P-C4'-P energy: -19.581
tors. eta vs tors. theta energy: -45.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -463.345348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.345348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.345348 (E_RNA)
where:
Base-Base interactions energy: -283.851
where: short stacking energy: -131.246
Base-Backbone interact. energy: 0.743
local terms energy: -180.237644
where:
bonds (distance) C4'-P energy: -31.275
bonds (distance) P-C4' energy: -51.033
flat angles C4'-P-C4' energy: -45.680
flat angles P-C4'-P energy: -26.662
tors. eta vs tors. theta energy: -25.588
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: 1, replica: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -983.865918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.865918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.865918 (E_RNA)
where:
Base-Base interactions energy: -684.221
where: short stacking energy: -277.627
Base-Backbone interact. energy: -3.450
local terms energy: -296.195290
where:
bonds (distance) C4'-P energy: -55.768
bonds (distance) P-C4' energy: -49.200
flat angles C4'-P-C4' energy: -67.708
flat angles P-C4'-P energy: -43.178
tors. eta vs tors. theta energy: -80.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -958.274686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.274686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.274686 (E_RNA)
where:
Base-Base interactions energy: -684.272
where: short stacking energy: -266.578
Base-Backbone interact. energy: -1.574
local terms energy: -272.428475
where:
bonds (distance) C4'-P energy: -41.357
bonds (distance) P-C4' energy: -51.996
flat angles C4'-P-C4' energy: -62.268
flat angles P-C4'-P energy: -41.715
tors. eta vs tors. theta energy: -75.092
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: 1
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -915.624953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.624953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.624953 (E_RNA)
where:
Base-Base interactions energy: -644.078
where: short stacking energy: -256.334
Base-Backbone interact. energy: -0.821
local terms energy: -270.726422
where:
bonds (distance) C4'-P energy: -55.522
bonds (distance) P-C4' energy: -54.579
flat angles C4'-P-C4' energy: -54.323
flat angles P-C4'-P energy: -37.223
tors. eta vs tors. theta energy: -69.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -883.874921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.874921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.874921 (E_RNA)
where:
Base-Base interactions energy: -612.421
where: short stacking energy: -254.889
Base-Backbone interact. energy: -1.196
local terms energy: -270.257096
where:
bonds (distance) C4'-P energy: -48.388
bonds (distance) P-C4' energy: -51.320
flat angles C4'-P-C4' energy: -55.760
flat angles P-C4'-P energy: -43.223
tors. eta vs tors. theta energy: -71.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -764.300149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.300149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.300149 (E_RNA)
where:
Base-Base interactions energy: -535.293
where: short stacking energy: -224.012
Base-Backbone interact. energy: -0.337
local terms energy: -228.670564
where:
bonds (distance) C4'-P energy: -44.203
bonds (distance) P-C4' energy: -45.282
flat angles C4'-P-C4' energy: -49.916
flat angles P-C4'-P energy: -36.372
tors. eta vs tors. theta energy: -52.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -761.056934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.056934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.056934 (E_RNA)
where:
Base-Base interactions energy: -514.430
where: short stacking energy: -221.206
Base-Backbone interact. energy: -1.535
local terms energy: -245.092552
where:
bonds (distance) C4'-P energy: -52.203
bonds (distance) P-C4' energy: -47.217
flat angles C4'-P-C4' energy: -55.202
flat angles P-C4'-P energy: -36.626
tors. eta vs tors. theta energy: -53.845
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: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -686.633090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.633090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.633090 (E_RNA)
where:
Base-Base interactions energy: -475.718
where: short stacking energy: -201.221
Base-Backbone interact. energy: 3.065
local terms energy: -213.980031
where:
bonds (distance) C4'-P energy: -43.941
bonds (distance) P-C4' energy: -50.907
flat angles C4'-P-C4' energy: -40.075
flat angles P-C4'-P energy: -36.414
tors. eta vs tors. theta energy: -42.644
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: 8
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -656.898798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.898798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.898798 (E_RNA)
where:
Base-Base interactions energy: -427.515
where: short stacking energy: -189.872
Base-Backbone interact. energy: 0.008
local terms energy: -229.392190
where:
bonds (distance) C4'-P energy: -40.675
bonds (distance) P-C4' energy: -54.838
flat angles C4'-P-C4' energy: -46.411
flat angles P-C4'-P energy: -39.146
tors. eta vs tors. theta energy: -48.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -597.819604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.819604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.819604 (E_RNA)
where:
Base-Base interactions energy: -395.247
where: short stacking energy: -168.839
Base-Backbone interact. energy: -1.104
local terms energy: -201.468667
where:
bonds (distance) C4'-P energy: -37.670
bonds (distance) P-C4' energy: -52.022
flat angles C4'-P-C4' energy: -46.813
flat angles P-C4'-P energy: -30.512
tors. eta vs tors. theta energy: -34.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -492.691893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.691893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.691893 (E_RNA)
where:
Base-Base interactions energy: -306.402
where: short stacking energy: -137.100
Base-Backbone interact. energy: -1.430
local terms energy: -184.859792
where:
bonds (distance) C4'-P energy: -39.160
bonds (distance) P-C4' energy: -49.556
flat angles C4'-P-C4' energy: -42.996
flat angles P-C4'-P energy: -25.652
tors. eta vs tors. theta energy: -27.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -959.578992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.578992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.578992 (E_RNA)
where:
Base-Base interactions energy: -680.622
where: short stacking energy: -278.063
Base-Backbone interact. energy: -0.678
local terms energy: -278.278655
where:
bonds (distance) C4'-P energy: -50.093
bonds (distance) P-C4' energy: -48.955
flat angles C4'-P-C4' energy: -59.956
flat angles P-C4'-P energy: -46.192
tors. eta vs tors. theta energy: -73.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -947.394316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.394316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.394316 (E_RNA)
where:
Base-Base interactions energy: -662.321
where: short stacking energy: -275.147
Base-Backbone interact. energy: -2.135
local terms energy: -282.937699
where:
bonds (distance) C4'-P energy: -56.050
bonds (distance) P-C4' energy: -52.909
flat angles C4'-P-C4' energy: -59.270
flat angles P-C4'-P energy: -39.307
tors. eta vs tors. theta energy: -75.401
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: 443
Temperature: 1.000000
Total energy: -907.840651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.840651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.840651 (E_RNA)
where:
Base-Base interactions energy: -644.047
where: short stacking energy: -258.438
Base-Backbone interact. energy: -0.600
local terms energy: -263.193449
where:
bonds (distance) C4'-P energy: -46.918
bonds (distance) P-C4' energy: -47.612
flat angles C4'-P-C4' energy: -57.624
flat angles P-C4'-P energy: -39.397
tors. eta vs tors. theta energy: -71.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -857.499954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.499954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.499954 (E_RNA)
where:
Base-Base interactions energy: -591.362
where: short stacking energy: -248.340
Base-Backbone interact. energy: -0.905
local terms energy: -265.233115
where:
bonds (distance) C4'-P energy: -47.519
bonds (distance) P-C4' energy: -58.766
flat angles C4'-P-C4' energy: -43.340
flat angles P-C4'-P energy: -44.026
tors. eta vs tors. theta energy: -71.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -782.779007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.779007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.779007 (E_RNA)
where:
Base-Base interactions energy: -531.268
where: short stacking energy: -237.694
Base-Backbone interact. energy: -1.371
local terms energy: -250.139997
where:
bonds (distance) C4'-P energy: -45.355
bonds (distance) P-C4' energy: -45.803
flat angles C4'-P-C4' energy: -61.235
flat angles P-C4'-P energy: -38.292
tors. eta vs tors. theta energy: -59.455
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: 10
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -760.649018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.649018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.649018 (E_RNA)
where:
Base-Base interactions energy: -519.401
where: short stacking energy: -213.845
Base-Backbone interact. energy: 3.237
local terms energy: -244.485477
where:
bonds (distance) C4'-P energy: -49.027
bonds (distance) P-C4' energy: -55.378
flat angles C4'-P-C4' energy: -54.217
flat angles P-C4'-P energy: -33.882
tors. eta vs tors. theta energy: -51.981
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: 2
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -690.388420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.388420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.388420 (E_RNA)
where:
Base-Base interactions energy: -462.097
where: short stacking energy: -209.023
Base-Backbone interact. energy: 0.940
local terms energy: -229.231506
where:
bonds (distance) C4'-P energy: -46.039
bonds (distance) P-C4' energy: -48.698
flat angles C4'-P-C4' energy: -51.346
flat angles P-C4'-P energy: -33.390
tors. eta vs tors. theta energy: -49.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -638.462599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.462599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.462599 (E_RNA)
where:
Base-Base interactions energy: -419.039
where: short stacking energy: -180.306
Base-Backbone interact. energy: -1.231
local terms energy: -218.192247
where:
bonds (distance) C4'-P energy: -39.933
bonds (distance) P-C4' energy: -50.648
flat angles C4'-P-C4' energy: -52.696
flat angles P-C4'-P energy: -35.311
tors. eta vs tors. theta energy: -39.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -605.364208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.364208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.364208 (E_RNA)
where:
Base-Base interactions energy: -408.895
where: short stacking energy: -175.070
Base-Backbone interact. energy: -1.400
local terms energy: -195.069115
where:
bonds (distance) C4'-P energy: -35.254
bonds (distance) P-C4' energy: -49.827
flat angles C4'-P-C4' energy: -48.495
flat angles P-C4'-P energy: -30.280
tors. eta vs tors. theta energy: -31.213
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: 3
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -493.154182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.154182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.154182 (E_RNA)
where:
Base-Base interactions energy: -325.224
where: short stacking energy: -148.072
Base-Backbone interact. energy: -0.326
local terms energy: -167.604021
where:
bonds (distance) C4'-P energy: -45.551
bonds (distance) P-C4' energy: -36.474
flat angles C4'-P-C4' energy: -30.740
flat angles P-C4'-P energy: -30.809
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: 1, replica: 4
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -954.488518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.488518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.488518 (E_RNA)
where:
Base-Base interactions energy: -671.514
where: short stacking energy: -261.344
Base-Backbone interact. energy: -1.708
local terms energy: -281.266033
where:
bonds (distance) C4'-P energy: -49.175
bonds (distance) P-C4' energy: -54.690
flat angles C4'-P-C4' energy: -57.709
flat angles P-C4'-P energy: -43.090
tors. eta vs tors. theta energy: -76.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -962.966610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.966610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.966610 (E_RNA)
where:
Base-Base interactions energy: -687.234
where: short stacking energy: -268.105
Base-Backbone interact. energy: 1.271
local terms energy: -277.003090
where:
bonds (distance) C4'-P energy: -45.207
bonds (distance) P-C4' energy: -49.699
flat angles C4'-P-C4' energy: -60.199
flat angles P-C4'-P energy: -43.167
tors. eta vs tors. theta energy: -78.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -937.110301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.110301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.110301 (E_RNA)
where:
Base-Base interactions energy: -639.200
where: short stacking energy: -251.839
Base-Backbone interact. energy: -1.279
local terms energy: -296.630852
where:
bonds (distance) C4'-P energy: -51.675
bonds (distance) P-C4' energy: -57.866
flat angles C4'-P-C4' energy: -61.839
flat angles P-C4'-P energy: -45.943
tors. eta vs tors. theta energy: -79.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -870.766893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.766893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.766893 (E_RNA)
where:
Base-Base interactions energy: -610.588
where: short stacking energy: -248.137
Base-Backbone interact. energy: -1.813
local terms energy: -258.365700
where:
bonds (distance) C4'-P energy: -41.424
bonds (distance) P-C4' energy: -52.386
flat angles C4'-P-C4' energy: -58.774
flat angles P-C4'-P energy: -39.086
tors. eta vs tors. theta energy: -66.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -790.895618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.895618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.895618 (E_RNA)
where:
Base-Base interactions energy: -546.129
where: short stacking energy: -223.662
Base-Backbone interact. energy: -3.176
local terms energy: -241.590184
where:
bonds (distance) C4'-P energy: -55.786
bonds (distance) P-C4' energy: -54.951
flat angles C4'-P-C4' energy: -46.623
flat angles P-C4'-P energy: -33.569
tors. eta vs tors. theta energy: -50.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -788.256558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.256558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.256558 (E_RNA)
where:
Base-Base interactions energy: -543.636
where: short stacking energy: -229.586
Base-Backbone interact. energy: -2.416
local terms energy: -242.204360
where:
bonds (distance) C4'-P energy: -47.691
bonds (distance) P-C4' energy: -47.475
flat angles C4'-P-C4' energy: -50.288
flat angles P-C4'-P energy: -32.815
tors. eta vs tors. theta energy: -63.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -740.662845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.662845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.662845 (E_RNA)
where:
Base-Base interactions energy: -492.275
where: short stacking energy: -208.579
Base-Backbone interact. energy: 3.075
local terms energy: -251.462808
where:
bonds (distance) C4'-P energy: -43.719
bonds (distance) P-C4' energy: -59.576
flat angles C4'-P-C4' energy: -52.987
flat angles P-C4'-P energy: -42.509
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: 8, replica: 8
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -610.504560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.504560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.504560 (E_RNA)
where:
Base-Base interactions energy: -412.748
where: short stacking energy: -178.062
Base-Backbone interact. energy: -0.246
local terms energy: -197.510696
where:
bonds (distance) C4'-P energy: -44.356
bonds (distance) P-C4' energy: -47.006
flat angles C4'-P-C4' energy: -41.273
flat angles P-C4'-P energy: -27.909
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: 9, replica: 7
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -556.823034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.823034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.823034 (E_RNA)
where:
Base-Base interactions energy: -365.687
where: short stacking energy: -158.804
Base-Backbone interact. energy: -0.542
local terms energy: -190.593734
where:
bonds (distance) C4'-P energy: -38.929
bonds (distance) P-C4' energy: -38.520
flat angles C4'-P-C4' energy: -49.066
flat angles P-C4'-P energy: -36.430
tors. eta vs tors. theta energy: -27.648
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: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -517.087193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.087193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.087193 (E_RNA)
where:
Base-Base interactions energy: -312.482
where: short stacking energy: -147.271
Base-Backbone interact. energy: -0.380
local terms energy: -204.224756
where:
bonds (distance) C4'-P energy: -48.033
bonds (distance) P-C4' energy: -47.684
flat angles C4'-P-C4' energy: -49.594
flat angles P-C4'-P energy: -27.170
tors. eta vs tors. theta energy: -31.744
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: 1, replica: 4
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -956.481469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.481469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.481469 (E_RNA)
where:
Base-Base interactions energy: -666.940
where: short stacking energy: -284.805
Base-Backbone interact. energy: -2.043
local terms energy: -287.498547
where:
bonds (distance) C4'-P energy: -56.815
bonds (distance) P-C4' energy: -49.340
flat angles C4'-P-C4' energy: -56.707
flat angles P-C4'-P energy: -44.207
tors. eta vs tors. theta energy: -80.429
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: 5
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -965.228196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.228196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.228196 (E_RNA)
where:
Base-Base interactions energy: -674.698
where: short stacking energy: -272.420
Base-Backbone interact. energy: 1.242
local terms energy: -291.772449
where:
bonds (distance) C4'-P energy: -53.670
bonds (distance) P-C4' energy: -53.323
flat angles C4'-P-C4' energy: -56.717
flat angles P-C4'-P energy: -43.016
tors. eta vs tors. theta energy: -85.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -897.131229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.131229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.131229 (E_RNA)
where:
Base-Base interactions energy: -623.270
where: short stacking energy: -247.040
Base-Backbone interact. energy: -1.533
local terms energy: -272.328211
where:
bonds (distance) C4'-P energy: -49.392
bonds (distance) P-C4' energy: -55.197
flat angles C4'-P-C4' energy: -50.420
flat angles P-C4'-P energy: -46.462
tors. eta vs tors. theta energy: -70.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -869.753269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.753269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.753269 (E_RNA)
where:
Base-Base interactions energy: -600.149
where: short stacking energy: -235.495
Base-Backbone interact. energy: -1.488
local terms energy: -268.116069
where:
bonds (distance) C4'-P energy: -56.310
bonds (distance) P-C4' energy: -51.943
flat angles C4'-P-C4' energy: -53.373
flat angles P-C4'-P energy: -39.202
tors. eta vs tors. theta energy: -67.288
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: 10
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -773.464981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.464981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.464981 (E_RNA)
where:
Base-Base interactions energy: -517.890
where: short stacking energy: -229.619
Base-Backbone interact. energy: -0.524
local terms energy: -255.051314
where:
bonds (distance) C4'-P energy: -48.033
bonds (distance) P-C4' energy: -46.072
flat angles C4'-P-C4' energy: -59.004
flat angles P-C4'-P energy: -42.592
tors. eta vs tors. theta energy: -59.350
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: 2
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -706.704442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.704442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.704442 (E_RNA)
where:
Base-Base interactions energy: -474.262
where: short stacking energy: -191.793
Base-Backbone interact. energy: -0.825
local terms energy: -231.617442
where:
bonds (distance) C4'-P energy: -41.368
bonds (distance) P-C4' energy: -45.611
flat angles C4'-P-C4' energy: -60.437
flat angles P-C4'-P energy: -32.402
tors. eta vs tors. theta energy: -51.799
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: 9
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -753.610991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.610991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.610991 (E_RNA)
where:
Base-Base interactions energy: -515.539
where: short stacking energy: -208.261
Base-Backbone interact. energy: -0.179
local terms energy: -237.893121
where:
bonds (distance) C4'-P energy: -50.152
bonds (distance) P-C4' energy: -45.765
flat angles C4'-P-C4' energy: -51.434
flat angles P-C4'-P energy: -31.530
tors. eta vs tors. theta energy: -59.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -659.246595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.246595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.246595 (E_RNA)
where:
Base-Base interactions energy: -441.044
where: short stacking energy: -196.366
Base-Backbone interact. energy: -1.196
local terms energy: -217.006890
where:
bonds (distance) C4'-P energy: -36.263
bonds (distance) P-C4' energy: -40.223
flat angles C4'-P-C4' energy: -48.702
flat angles P-C4'-P energy: -32.811
tors. eta vs tors. theta energy: -59.008
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: 7
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -528.023430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.023430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.023430 (E_RNA)
where:
Base-Base interactions energy: -333.184
where: short stacking energy: -163.751
Base-Backbone interact. energy: -0.868
local terms energy: -193.971121
where:
bonds (distance) C4'-P energy: -43.651
bonds (distance) P-C4' energy: -39.945
flat angles C4'-P-C4' energy: -53.137
flat angles P-C4'-P energy: -23.910
tors. eta vs tors. theta energy: -33.328
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: 3
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -497.829350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.829350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.829350 (E_RNA)
where:
Base-Base interactions energy: -312.046
where: short stacking energy: -146.409
Base-Backbone interact. energy: -0.981
local terms energy: -184.802864
where:
bonds (distance) C4'-P energy: -49.443
bonds (distance) P-C4' energy: -36.605
flat angles C4'-P-C4' energy: -44.983
flat angles P-C4'-P energy: -32.861
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -967.299961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.299961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.299961 (E_RNA)
where:
Base-Base interactions energy: -672.884
where: short stacking energy: -274.811
Base-Backbone interact. energy: -2.988
local terms energy: -291.428027
where:
bonds (distance) C4'-P energy: -50.329
bonds (distance) P-C4' energy: -57.638
flat angles C4'-P-C4' energy: -60.865
flat angles P-C4'-P energy: -43.037
tors. eta vs tors. theta energy: -79.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -970.744399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.744399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.744399 (E_RNA)
where:
Base-Base interactions energy: -689.124
where: short stacking energy: -291.385
Base-Backbone interact. energy: -1.443
local terms energy: -280.177160
where:
bonds (distance) C4'-P energy: -51.853
bonds (distance) P-C4' energy: -53.889
flat angles C4'-P-C4' energy: -56.343
flat angles P-C4'-P energy: -39.820
tors. eta vs tors. theta energy: -78.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -906.275923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.275923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.275923 (E_RNA)
where:
Base-Base interactions energy: -641.211
where: short stacking energy: -260.999
Base-Backbone interact. energy: -1.256
local terms energy: -263.809431
where:
bonds (distance) C4'-P energy: -52.647
bonds (distance) P-C4' energy: -45.095
flat angles C4'-P-C4' energy: -58.163
flat angles P-C4'-P energy: -34.286
tors. eta vs tors. theta energy: -73.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -877.192292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.192292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.192292 (E_RNA)
where:
Base-Base interactions energy: -638.891
where: short stacking energy: -259.248
Base-Backbone interact. energy: 1.767
local terms energy: -240.068321
where:
bonds (distance) C4'-P energy: -45.685
bonds (distance) P-C4' energy: -47.026
flat angles C4'-P-C4' energy: -47.875
flat angles P-C4'-P energy: -26.583
tors. eta vs tors. theta energy: -72.899
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: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -808.859788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.859788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.859788 (E_RNA)
where:
Base-Base interactions energy: -545.887
where: short stacking energy: -242.248
Base-Backbone interact. energy: -1.620
local terms energy: -261.353369
where:
bonds (distance) C4'-P energy: -53.307
bonds (distance) P-C4' energy: -61.560
flat angles C4'-P-C4' energy: -51.176
flat angles P-C4'-P energy: -37.942
tors. eta vs tors. theta energy: -57.369
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: 2
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -751.511905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.511905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.511905 (E_RNA)
where:
Base-Base interactions energy: -521.804
where: short stacking energy: -203.425
Base-Backbone interact. energy: -0.615
local terms energy: -229.093157
where:
bonds (distance) C4'-P energy: -46.705
bonds (distance) P-C4' energy: -44.633
flat angles C4'-P-C4' energy: -49.708
flat angles P-C4'-P energy: -24.383
tors. eta vs tors. theta energy: -63.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -769.999359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.999359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.999359 (E_RNA)
where:
Base-Base interactions energy: -525.661
where: short stacking energy: -216.356
Base-Backbone interact. energy: -0.304
local terms energy: -244.034013
where:
bonds (distance) C4'-P energy: -47.446
bonds (distance) P-C4' energy: -50.808
flat angles C4'-P-C4' energy: -53.636
flat angles P-C4'-P energy: -27.371
tors. eta vs tors. theta energy: -64.774
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: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -662.226094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.226094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.226094 (E_RNA)
where:
Base-Base interactions energy: -435.463
where: short stacking energy: -204.606
Base-Backbone interact. energy: -0.737
local terms energy: -226.026832
where:
bonds (distance) C4'-P energy: -45.940
bonds (distance) P-C4' energy: -53.976
flat angles C4'-P-C4' energy: -46.465
flat angles P-C4'-P energy: -30.169
tors. eta vs tors. theta energy: -49.477
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: 9, replica: 7
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -574.010754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.010754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.010754 (E_RNA)
where:
Base-Base interactions energy: -381.201
where: short stacking energy: -177.641
Base-Backbone interact. energy: -0.364
local terms energy: -192.445476
where:
bonds (distance) C4'-P energy: -48.684
bonds (distance) P-C4' energy: -37.031
flat angles C4'-P-C4' energy: -36.541
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: -45.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -471.326384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.326384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.326384 (E_RNA)
where:
Base-Base interactions energy: -276.603
where: short stacking energy: -126.326
Base-Backbone interact. energy: -1.374
local terms energy: -193.348674
where:
bonds (distance) C4'-P energy: -47.296
bonds (distance) P-C4' energy: -56.502
flat angles C4'-P-C4' energy: -37.028
flat angles P-C4'-P energy: -32.992
tors. eta vs tors. theta energy: -19.532
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: 1, replica: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -973.958863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.958863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.958863 (E_RNA)
where:
Base-Base interactions energy: -685.181
where: short stacking energy: -269.970
Base-Backbone interact. energy: -0.604
local terms energy: -288.173290
where:
bonds (distance) C4'-P energy: -46.727
bonds (distance) P-C4' energy: -53.923
flat angles C4'-P-C4' energy: -62.608
flat angles P-C4'-P energy: -43.991
tors. eta vs tors. theta energy: -80.925
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: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -954.691822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.691822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.691822 (E_RNA)
where:
Base-Base interactions energy: -669.877
where: short stacking energy: -278.261
Base-Backbone interact. energy: -1.565
local terms energy: -283.250412
where:
bonds (distance) C4'-P energy: -48.254
bonds (distance) P-C4' energy: -53.115
flat angles C4'-P-C4' energy: -64.833
flat angles P-C4'-P energy: -37.258
tors. eta vs tors. theta energy: -79.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -900.537609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.537609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.537609 (E_RNA)
where:
Base-Base interactions energy: -625.473
where: short stacking energy: -273.804
Base-Backbone interact. energy: -2.015
local terms energy: -273.049771
where:
bonds (distance) C4'-P energy: -49.923
bonds (distance) P-C4' energy: -47.756
flat angles C4'-P-C4' energy: -59.094
flat angles P-C4'-P energy: -38.053
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: 4, replica: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -918.434071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.434071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.434071 (E_RNA)
where:
Base-Base interactions energy: -622.648
where: short stacking energy: -270.105
Base-Backbone interact. energy: -2.508
local terms energy: -293.278114
where:
bonds (distance) C4'-P energy: -64.551
bonds (distance) P-C4' energy: -51.679
flat angles C4'-P-C4' energy: -63.127
flat angles P-C4'-P energy: -37.742
tors. eta vs tors. theta energy: -76.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -795.902094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.902094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.902094 (E_RNA)
where:
Base-Base interactions energy: -544.271
where: short stacking energy: -234.844
Base-Backbone interact. energy: 0.132
local terms energy: -251.762584
where:
bonds (distance) C4'-P energy: -48.164
bonds (distance) P-C4' energy: -49.282
flat angles C4'-P-C4' energy: -58.771
flat angles P-C4'-P energy: -36.740
tors. eta vs tors. theta energy: -58.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -740.800174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.800174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.800174 (E_RNA)
where:
Base-Base interactions energy: -500.098
where: short stacking energy: -231.853
Base-Backbone interact. energy: -0.562
local terms energy: -240.140568
where:
bonds (distance) C4'-P energy: -48.836
bonds (distance) P-C4' energy: -52.626
flat angles C4'-P-C4' energy: -50.457
flat angles P-C4'-P energy: -32.175
tors. eta vs tors. theta energy: -56.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -744.524175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.524175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.524175 (E_RNA)
where:
Base-Base interactions energy: -514.138
where: short stacking energy: -198.777
Base-Backbone interact. energy: -2.589
local terms energy: -227.796777
where:
bonds (distance) C4'-P energy: -48.782
bonds (distance) P-C4' energy: -36.625
flat angles C4'-P-C4' energy: -52.010
flat angles P-C4'-P energy: -35.651
tors. eta vs tors. theta energy: -54.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -643.707752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.707752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.707752 (E_RNA)
where:
Base-Base interactions energy: -434.324
where: short stacking energy: -174.817
Base-Backbone interact. energy: -1.809
local terms energy: -207.574046
where:
bonds (distance) C4'-P energy: -36.719
bonds (distance) P-C4' energy: -48.793
flat angles C4'-P-C4' energy: -46.466
flat angles P-C4'-P energy: -33.226
tors. eta vs tors. theta energy: -42.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -555.895379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.895379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.895379 (E_RNA)
where:
Base-Base interactions energy: -370.365
where: short stacking energy: -162.984
Base-Backbone interact. energy: -1.651
local terms energy: -183.879972
where:
bonds (distance) C4'-P energy: -40.858
bonds (distance) P-C4' energy: -37.984
flat angles C4'-P-C4' energy: -49.417
flat angles P-C4'-P energy: -17.605
tors. eta vs tors. theta energy: -38.016
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: 3
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -480.806356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.806356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.806356 (E_RNA)
where:
Base-Base interactions energy: -294.547
where: short stacking energy: -138.648
Base-Backbone interact. energy: 1.447
local terms energy: -187.705740
where:
bonds (distance) C4'-P energy: -42.935
bonds (distance) P-C4' energy: -46.288
flat angles C4'-P-C4' energy: -43.632
flat angles P-C4'-P energy: -33.613
tors. eta vs tors. theta energy: -21.238
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: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -996.026654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.026654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.026654 (E_RNA)
where:
Base-Base interactions energy: -706.976
where: short stacking energy: -278.019
Base-Backbone interact. energy: -1.090
local terms energy: -287.960795
where:
bonds (distance) C4'-P energy: -47.725
bonds (distance) P-C4' energy: -53.865
flat angles C4'-P-C4' energy: -61.103
flat angles P-C4'-P energy: -44.059
tors. eta vs tors. theta energy: -81.208
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: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -953.147064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.147064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.147064 (E_RNA)
where:
Base-Base interactions energy: -668.577
where: short stacking energy: -266.051
Base-Backbone interact. energy: -0.433
local terms energy: -284.136959
where:
bonds (distance) C4'-P energy: -55.256
bonds (distance) P-C4' energy: -54.315
flat angles C4'-P-C4' energy: -53.600
flat angles P-C4'-P energy: -42.599
tors. eta vs tors. theta energy: -78.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -937.035945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.035945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.035945 (E_RNA)
where:
Base-Base interactions energy: -658.248
where: short stacking energy: -266.778
Base-Backbone interact. energy: 0.639
local terms energy: -279.427526
where:
bonds (distance) C4'-P energy: -47.966
bonds (distance) P-C4' energy: -59.362
flat angles C4'-P-C4' energy: -54.675
flat angles P-C4'-P energy: -41.812
tors. eta vs tors. theta energy: -75.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -881.406835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.406835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.406835 (E_RNA)
where:
Base-Base interactions energy: -617.156
where: short stacking energy: -247.134
Base-Backbone interact. energy: -0.791
local terms energy: -263.459343
where:
bonds (distance) C4'-P energy: -43.103
bonds (distance) P-C4' energy: -52.511
flat angles C4'-P-C4' energy: -61.122
flat angles P-C4'-P energy: -39.506
tors. eta vs tors. theta energy: -67.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -810.192336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.192336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.192336 (E_RNA)
where:
Base-Base interactions energy: -559.474
where: short stacking energy: -230.012
Base-Backbone interact. energy: -2.485
local terms energy: -248.233468
where:
bonds (distance) C4'-P energy: -45.396
bonds (distance) P-C4' energy: -56.152
flat angles C4'-P-C4' energy: -52.386
flat angles P-C4'-P energy: -37.662
tors. eta vs tors. theta energy: -56.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -733.387794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.387794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.387794 (E_RNA)
where:
Base-Base interactions energy: -486.556
where: short stacking energy: -219.317
Base-Backbone interact. energy: -0.615
local terms energy: -246.217011
where:
bonds (distance) C4'-P energy: -48.703
bonds (distance) P-C4' energy: -53.473
flat angles C4'-P-C4' energy: -48.254
flat angles P-C4'-P energy: -32.865
tors. eta vs tors. theta energy: -62.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -744.754000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.754000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.754000 (E_RNA)
where:
Base-Base interactions energy: -507.763
where: short stacking energy: -216.884
Base-Backbone interact. energy: -2.445
local terms energy: -234.545722
where:
bonds (distance) C4'-P energy: -48.304
bonds (distance) P-C4' energy: -47.151
flat angles C4'-P-C4' energy: -58.059
flat angles P-C4'-P energy: -24.887
tors. eta vs tors. theta energy: -56.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -630.905713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.905713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.905713 (E_RNA)
where:
Base-Base interactions energy: -426.209
where: short stacking energy: -181.828
Base-Backbone interact. energy: -0.768
local terms energy: -203.928684
where:
bonds (distance) C4'-P energy: -44.289
bonds (distance) P-C4' energy: -46.000
flat angles C4'-P-C4' energy: -42.136
flat angles P-C4'-P energy: -30.665
tors. eta vs tors. theta energy: -40.839
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: 3
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -501.775770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.775770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.775770 (E_RNA)
where:
Base-Base interactions energy: -325.244
where: short stacking energy: -147.141
Base-Backbone interact. energy: 0.375
local terms energy: -176.907522
where:
bonds (distance) C4'-P energy: -40.995
bonds (distance) P-C4' energy: -42.422
flat angles C4'-P-C4' energy: -33.324
flat angles P-C4'-P energy: -28.663
tors. eta vs tors. theta energy: -31.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -403.962741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.962741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.962741 (E_RNA)
where:
Base-Base interactions energy: -226.878
where: short stacking energy: -96.518
Base-Backbone interact. energy: -1.013
local terms energy: -176.071855
where:
bonds (distance) C4'-P energy: -47.099
bonds (distance) P-C4' energy: -57.117
flat angles C4'-P-C4' energy: -49.208
flat angles P-C4'-P energy: -17.835
tors. eta vs tors. theta energy: -4.813
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: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -990.181624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.181624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.181624 (E_RNA)
where:
Base-Base interactions energy: -679.900
where: short stacking energy: -278.109
Base-Backbone interact. energy: -1.148
local terms energy: -309.133272
where:
bonds (distance) C4'-P energy: -54.715
bonds (distance) P-C4' energy: -59.437
flat angles C4'-P-C4' energy: -63.086
flat angles P-C4'-P energy: -44.567
tors. eta vs tors. theta energy: -87.329
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: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -953.956756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.956756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.956756 (E_RNA)
where:
Base-Base interactions energy: -663.120
where: short stacking energy: -271.592
Base-Backbone interact. energy: -0.091
local terms energy: -290.745486
where:
bonds (distance) C4'-P energy: -47.654
bonds (distance) P-C4' energy: -54.889
flat angles C4'-P-C4' energy: -60.148
flat angles P-C4'-P energy: -46.028
tors. eta vs tors. theta energy: -82.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -951.905622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.905622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.905622 (E_RNA)
where:
Base-Base interactions energy: -667.973
where: short stacking energy: -276.853
Base-Backbone interact. energy: -0.338
local terms energy: -283.594463
where:
bonds (distance) C4'-P energy: -53.677
bonds (distance) P-C4' energy: -46.286
flat angles C4'-P-C4' energy: -54.767
flat angles P-C4'-P energy: -45.239
tors. eta vs tors. theta energy: -83.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -877.756665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.756665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.756665 (E_RNA)
where:
Base-Base interactions energy: -614.042
where: short stacking energy: -249.408
Base-Backbone interact. energy: -2.118
local terms energy: -261.595962
where:
bonds (distance) C4'-P energy: -50.325
bonds (distance) P-C4' energy: -48.025
flat angles C4'-P-C4' energy: -53.164
flat angles P-C4'-P energy: -42.634
tors. eta vs tors. theta energy: -67.448
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: 5, replica: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -838.802907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.802907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.802907 (E_RNA)
where:
Base-Base interactions energy: -589.766
where: short stacking energy: -249.685
Base-Backbone interact. energy: 3.388
local terms energy: -252.425544
where:
bonds (distance) C4'-P energy: -44.321
bonds (distance) P-C4' energy: -48.318
flat angles C4'-P-C4' energy: -52.431
flat angles P-C4'-P energy: -35.667
tors. eta vs tors. theta energy: -71.689
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: 6, replica: 9
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -785.369356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.369356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.369356 (E_RNA)
where:
Base-Base interactions energy: -548.539
where: short stacking energy: -235.839
Base-Backbone interact. energy: 0.250
local terms energy: -237.081073
where:
bonds (distance) C4'-P energy: -47.042
bonds (distance) P-C4' energy: -48.632
flat angles C4'-P-C4' energy: -50.498
flat angles P-C4'-P energy: -33.342
tors. eta vs tors. theta energy: -57.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -691.434203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.434203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.434203 (E_RNA)
where:
Base-Base interactions energy: -456.331
where: short stacking energy: -189.453
Base-Backbone interact. energy: -0.740
local terms energy: -234.362973
where:
bonds (distance) C4'-P energy: -47.139
bonds (distance) P-C4' energy: -57.113
flat angles C4'-P-C4' energy: -57.130
flat angles P-C4'-P energy: -29.118
tors. eta vs tors. theta energy: -43.862
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: 8, replica: 8
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -630.471619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.471619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.471619 (E_RNA)
where:
Base-Base interactions energy: -426.536
where: short stacking energy: -179.711
Base-Backbone interact. energy: -0.361
local terms energy: -203.574639
where:
bonds (distance) C4'-P energy: -52.169
bonds (distance) P-C4' energy: -37.450
flat angles C4'-P-C4' energy: -47.172
flat angles P-C4'-P energy: -28.310
tors. eta vs tors. theta energy: -38.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -477.213396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.213396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.213396 (E_RNA)
where:
Base-Base interactions energy: -293.382
where: short stacking energy: -127.571
Base-Backbone interact. energy: -0.936
local terms energy: -182.896188
where:
bonds (distance) C4'-P energy: -43.957
bonds (distance) P-C4' energy: -50.819
flat angles C4'-P-C4' energy: -43.913
flat angles P-C4'-P energy: -18.910
tors. eta vs tors. theta energy: -25.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -413.412731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.412731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.412731 (E_RNA)
where:
Base-Base interactions energy: -236.654
where: short stacking energy: -111.257
Base-Backbone interact. energy: 0.942
local terms energy: -177.700823
where:
bonds (distance) C4'-P energy: -46.594
bonds (distance) P-C4' energy: -50.090
flat angles C4'-P-C4' energy: -42.524
flat angles P-C4'-P energy: -32.887
tors. eta vs tors. theta energy: -5.606
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: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -994.694114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.694114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.694114 (E_RNA)
where:
Base-Base interactions energy: -696.825
where: short stacking energy: -293.637
Base-Backbone interact. energy: 2.060
local terms energy: -299.929088
where:
bonds (distance) C4'-P energy: -46.778
bonds (distance) P-C4' energy: -57.799
flat angles C4'-P-C4' energy: -70.568
flat angles P-C4'-P energy: -37.905
tors. eta vs tors. theta energy: -86.878
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: 1
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -963.083207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.083207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.083207 (E_RNA)
where:
Base-Base interactions energy: -664.217
where: short stacking energy: -279.569
Base-Backbone interact. energy: -2.032
local terms energy: -296.833977
where:
bonds (distance) C4'-P energy: -60.025
bonds (distance) P-C4' energy: -59.137
flat angles C4'-P-C4' energy: -57.565
flat angles P-C4'-P energy: -35.601
tors. eta vs tors. theta energy: -84.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -914.597461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.597461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.597461 (E_RNA)
where:
Base-Base interactions energy: -649.940
where: short stacking energy: -267.498
Base-Backbone interact. energy: -2.362
local terms energy: -262.295504
where:
bonds (distance) C4'-P energy: -57.175
bonds (distance) P-C4' energy: -45.044
flat angles C4'-P-C4' energy: -52.801
flat angles P-C4'-P energy: -32.583
tors. eta vs tors. theta energy: -74.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -913.942302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.942302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.942302 (E_RNA)
where:
Base-Base interactions energy: -632.988
where: short stacking energy: -252.840
Base-Backbone interact. energy: -0.782
local terms energy: -280.172156
where:
bonds (distance) C4'-P energy: -59.973
bonds (distance) P-C4' energy: -50.978
flat angles C4'-P-C4' energy: -58.155
flat angles P-C4'-P energy: -40.253
tors. eta vs tors. theta energy: -70.813
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: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -822.708524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.708524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.708524 (E_RNA)
where:
Base-Base interactions energy: -568.184
where: short stacking energy: -228.247
Base-Backbone interact. energy: 1.063
local terms energy: -255.587602
where:
bonds (distance) C4'-P energy: -45.829
bonds (distance) P-C4' energy: -46.916
flat angles C4'-P-C4' energy: -54.101
flat angles P-C4'-P energy: -41.407
tors. eta vs tors. theta energy: -67.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -753.466551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.466551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.466551 (E_RNA)
where:
Base-Base interactions energy: -514.604
where: short stacking energy: -212.951
Base-Backbone interact. energy: 0.585
local terms energy: -239.447462
where:
bonds (distance) C4'-P energy: -56.589
bonds (distance) P-C4' energy: -52.440
flat angles C4'-P-C4' energy: -51.153
flat angles P-C4'-P energy: -26.413
tors. eta vs tors. theta energy: -52.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -691.346965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.346965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.346965 (E_RNA)
where:
Base-Base interactions energy: -478.990
where: short stacking energy: -184.263
Base-Backbone interact. energy: -0.305
local terms energy: -212.052142
where:
bonds (distance) C4'-P energy: -51.275
bonds (distance) P-C4' energy: -48.420
flat angles C4'-P-C4' energy: -40.237
flat angles P-C4'-P energy: -31.394
tors. eta vs tors. theta energy: -40.726
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: 8
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -621.937710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.937710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.937710 (E_RNA)
where:
Base-Base interactions energy: -391.531
where: short stacking energy: -174.404
Base-Backbone interact. energy: -0.687
local terms energy: -229.720585
where:
bonds (distance) C4'-P energy: -57.014
bonds (distance) P-C4' energy: -57.240
flat angles C4'-P-C4' energy: -50.961
flat angles P-C4'-P energy: -28.982
tors. eta vs tors. theta energy: -35.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -473.437904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.437904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.437904 (E_RNA)
where:
Base-Base interactions energy: -288.985
where: short stacking energy: -136.464
Base-Backbone interact. energy: -0.984
local terms energy: -183.468844
where:
bonds (distance) C4'-P energy: -36.849
bonds (distance) P-C4' energy: -34.082
flat angles C4'-P-C4' energy: -53.973
flat angles P-C4'-P energy: -35.114
tors. eta vs tors. theta energy: -23.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -491.887716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.887716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.887716 (E_RNA)
where:
Base-Base interactions energy: -290.835
where: short stacking energy: -146.336
Base-Backbone interact. energy: 0.940
local terms energy: -201.992790
where:
bonds (distance) C4'-P energy: -45.695
bonds (distance) P-C4' energy: -56.499
flat angles C4'-P-C4' energy: -50.567
flat angles P-C4'-P energy: -24.212
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: 1, replica: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1002.843149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.843149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.843149 (E_RNA)
where:
Base-Base interactions energy: -706.187
where: short stacking energy: -284.602
Base-Backbone interact. energy: -1.063
local terms energy: -295.592998
where:
bonds (distance) C4'-P energy: -54.902
bonds (distance) P-C4' energy: -59.607
flat angles C4'-P-C4' energy: -56.435
flat angles P-C4'-P energy: -44.329
tors. eta vs tors. theta energy: -80.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -942.786420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.786420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.786420 (E_RNA)
where:
Base-Base interactions energy: -661.439
where: short stacking energy: -273.477
Base-Backbone interact. energy: -0.498
local terms energy: -280.848847
where:
bonds (distance) C4'-P energy: -56.429
bonds (distance) P-C4' energy: -47.101
flat angles C4'-P-C4' energy: -58.934
flat angles P-C4'-P energy: -42.389
tors. eta vs tors. theta energy: -75.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -917.600050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.600050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.600050 (E_RNA)
where:
Base-Base interactions energy: -649.035
where: short stacking energy: -247.823
Base-Backbone interact. energy: -0.782
local terms energy: -267.783353
where:
bonds (distance) C4'-P energy: -52.031
bonds (distance) P-C4' energy: -47.411
flat angles C4'-P-C4' energy: -56.075
flat angles P-C4'-P energy: -41.041
tors. eta vs tors. theta energy: -71.225
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: 4, replica: 10
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -859.221241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.221241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.221241 (E_RNA)
where:
Base-Base interactions energy: -593.915
where: short stacking energy: -246.351
Base-Backbone interact. energy: 0.027
local terms energy: -265.333102
where:
bonds (distance) C4'-P energy: -49.382
bonds (distance) P-C4' energy: -45.184
flat angles C4'-P-C4' energy: -61.517
flat angles P-C4'-P energy: -48.204
tors. eta vs tors. theta energy: -61.046
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: 5, replica: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -852.954972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.954972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.954972 (E_RNA)
where:
Base-Base interactions energy: -615.913
where: short stacking energy: -243.540
Base-Backbone interact. energy: -0.315
local terms energy: -236.726852
where:
bonds (distance) C4'-P energy: -40.166
bonds (distance) P-C4' energy: -46.301
flat angles C4'-P-C4' energy: -55.045
flat angles P-C4'-P energy: -28.866
tors. eta vs tors. theta energy: -66.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -733.503582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.503582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.503582 (E_RNA)
where:
Base-Base interactions energy: -480.415
where: short stacking energy: -205.098
Base-Backbone interact. energy: -0.512
local terms energy: -252.576175
where:
bonds (distance) C4'-P energy: -54.169
bonds (distance) P-C4' energy: -54.054
flat angles C4'-P-C4' energy: -52.276
flat angles P-C4'-P energy: -31.491
tors. eta vs tors. theta energy: -60.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -740.484133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.484133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.484133 (E_RNA)
where:
Base-Base interactions energy: -523.146
where: short stacking energy: -216.841
Base-Backbone interact. energy: 1.412
local terms energy: -218.750228
where:
bonds (distance) C4'-P energy: -41.366
bonds (distance) P-C4' energy: -46.039
flat angles C4'-P-C4' energy: -46.515
flat angles P-C4'-P energy: -36.746
tors. eta vs tors. theta energy: -48.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -628.865722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.865722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.865722 (E_RNA)
where:
Base-Base interactions energy: -420.390
where: short stacking energy: -183.360
Base-Backbone interact. energy: -0.966
local terms energy: -207.509332
where:
bonds (distance) C4'-P energy: -39.859
bonds (distance) P-C4' energy: -43.344
flat angles C4'-P-C4' energy: -54.374
flat angles P-C4'-P energy: -28.141
tors. eta vs tors. theta energy: -41.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -493.837740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.837740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.837740 (E_RNA)
where:
Base-Base interactions energy: -302.274
where: short stacking energy: -135.172
Base-Backbone interact. energy: 2.927
local terms energy: -194.490677
where:
bonds (distance) C4'-P energy: -50.500
bonds (distance) P-C4' energy: -41.491
flat angles C4'-P-C4' energy: -41.653
flat angles P-C4'-P energy: -33.417
tors. eta vs tors. theta energy: -27.430
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: 3
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -483.961684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.961684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.961684 (E_RNA)
where:
Base-Base interactions energy: -303.776
where: short stacking energy: -148.686
Base-Backbone interact. energy: -1.039
local terms energy: -179.146797
where:
bonds (distance) C4'-P energy: -39.124
bonds (distance) P-C4' energy: -51.317
flat angles C4'-P-C4' energy: -49.802
flat angles P-C4'-P energy: -18.259
tors. eta vs tors. theta energy: -20.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -989.382711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.382711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.382711 (E_RNA)
where:
Base-Base interactions energy: -705.638
where: short stacking energy: -278.165
Base-Backbone interact. energy: -1.357
local terms energy: -282.388206
where:
bonds (distance) C4'-P energy: -50.780
bonds (distance) P-C4' energy: -49.445
flat angles C4'-P-C4' energy: -61.153
flat angles P-C4'-P energy: -41.188
tors. eta vs tors. theta energy: -79.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -951.672497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.672497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.672497 (E_RNA)
where:
Base-Base interactions energy: -671.157
where: short stacking energy: -262.174
Base-Backbone interact. energy: -2.719
local terms energy: -277.796614
where:
bonds (distance) C4'-P energy: -59.746
bonds (distance) P-C4' energy: -47.874
flat angles C4'-P-C4' energy: -58.905
flat angles P-C4'-P energy: -40.272
tors. eta vs tors. theta energy: -70.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -902.460244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.460244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.460244 (E_RNA)
where:
Base-Base interactions energy: -639.226
where: short stacking energy: -270.273
Base-Backbone interact. energy: 1.335
local terms energy: -264.569065
where:
bonds (distance) C4'-P energy: -50.210
bonds (distance) P-C4' energy: -53.913
flat angles C4'-P-C4' energy: -54.682
flat angles P-C4'-P energy: -38.253
tors. eta vs tors. theta energy: -67.512
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: 10
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -875.580196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.580196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.580196 (E_RNA)
where:
Base-Base interactions energy: -618.289
where: short stacking energy: -248.097
Base-Backbone interact. energy: -1.435
local terms energy: -255.856120
where:
bonds (distance) C4'-P energy: -45.184
bonds (distance) P-C4' energy: -43.104
flat angles C4'-P-C4' energy: -62.049
flat angles P-C4'-P energy: -35.418
tors. eta vs tors. theta energy: -70.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -898.467287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.467287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.467287 (E_RNA)
where:
Base-Base interactions energy: -634.055
where: short stacking energy: -239.208
Base-Backbone interact. energy: -2.890
local terms energy: -261.522111
where:
bonds (distance) C4'-P energy: -51.260
bonds (distance) P-C4' energy: -51.701
flat angles C4'-P-C4' energy: -56.817
flat angles P-C4'-P energy: -32.459
tors. eta vs tors. theta energy: -69.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -743.153535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.153535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.153535 (E_RNA)
where:
Base-Base interactions energy: -489.654
where: short stacking energy: -191.119
Base-Backbone interact. energy: -0.560
local terms energy: -252.939751
where:
bonds (distance) C4'-P energy: -56.244
bonds (distance) P-C4' energy: -59.089
flat angles C4'-P-C4' energy: -51.780
flat angles P-C4'-P energy: -33.684
tors. eta vs tors. theta energy: -52.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -729.893130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.893130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.893130 (E_RNA)
where:
Base-Base interactions energy: -500.551
where: short stacking energy: -222.258
Base-Backbone interact. energy: -0.887
local terms energy: -228.454976
where:
bonds (distance) C4'-P energy: -53.049
bonds (distance) P-C4' energy: -45.609
flat angles C4'-P-C4' energy: -49.036
flat angles P-C4'-P energy: -30.927
tors. eta vs tors. theta energy: -49.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -622.398562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.398562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.398562 (E_RNA)
where:
Base-Base interactions energy: -433.486
where: short stacking energy: -177.428
Base-Backbone interact. energy: -0.912
local terms energy: -188.000061
where:
bonds (distance) C4'-P energy: -39.560
bonds (distance) P-C4' energy: -41.278
flat angles C4'-P-C4' energy: -42.943
flat angles P-C4'-P energy: -27.350
tors. eta vs tors. theta energy: -36.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -503.519961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.519961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.519961 (E_RNA)
where:
Base-Base interactions energy: -316.992
where: short stacking energy: -129.285
Base-Backbone interact. energy: -1.706
local terms energy: -184.822148
where:
bonds (distance) C4'-P energy: -45.858
bonds (distance) P-C4' energy: -47.126
flat angles C4'-P-C4' energy: -47.055
flat angles P-C4'-P energy: -36.452
tors. eta vs tors. theta energy: -8.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -513.657958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.657958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.657958 (E_RNA)
where:
Base-Base interactions energy: -347.225
where: short stacking energy: -152.848
Base-Backbone interact. energy: -1.743
local terms energy: -164.690239
where:
bonds (distance) C4'-P energy: -26.831
bonds (distance) P-C4' energy: -36.734
flat angles C4'-P-C4' energy: -50.007
flat angles P-C4'-P energy: -20.864
tors. eta vs tors. theta energy: -30.254
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: 4
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -978.606322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.606322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.606322 (E_RNA)
where:
Base-Base interactions energy: -692.194
where: short stacking energy: -269.828
Base-Backbone interact. energy: -2.545
local terms energy: -283.867510
where:
bonds (distance) C4'-P energy: -56.521
bonds (distance) P-C4' energy: -50.870
flat angles C4'-P-C4' energy: -59.617
flat angles P-C4'-P energy: -38.807
tors. eta vs tors. theta energy: -78.053
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: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -949.419014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.419014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.419014 (E_RNA)
where:
Base-Base interactions energy: -652.304
where: short stacking energy: -265.360
Base-Backbone interact. energy: -1.319
local terms energy: -295.796262
where:
bonds (distance) C4'-P energy: -60.662
bonds (distance) P-C4' energy: -55.892
flat angles C4'-P-C4' energy: -58.656
flat angles P-C4'-P energy: -38.421
tors. eta vs tors. theta energy: -82.165
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: 453
Temperature: 1.000000
Total energy: -911.812709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.812709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.812709 (E_RNA)
where:
Base-Base interactions energy: -627.100
where: short stacking energy: -251.833
Base-Backbone interact. energy: 0.107
local terms energy: -284.819176
where:
bonds (distance) C4'-P energy: -54.989
bonds (distance) P-C4' energy: -51.095
flat angles C4'-P-C4' energy: -60.209
flat angles P-C4'-P energy: -47.918
tors. eta vs tors. theta energy: -70.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -879.204143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.204143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.204143 (E_RNA)
where:
Base-Base interactions energy: -614.332
where: short stacking energy: -244.197
Base-Backbone interact. energy: -1.530
local terms energy: -263.341797
where:
bonds (distance) C4'-P energy: -62.876
bonds (distance) P-C4' energy: -44.294
flat angles C4'-P-C4' energy: -57.091
flat angles P-C4'-P energy: -31.301
tors. eta vs tors. theta energy: -67.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -849.987117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.987117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.987117 (E_RNA)
where:
Base-Base interactions energy: -615.504
where: short stacking energy: -236.588
Base-Backbone interact. energy: 3.157
local terms energy: -237.640185
where:
bonds (distance) C4'-P energy: -45.510
bonds (distance) P-C4' energy: -43.463
flat angles C4'-P-C4' energy: -48.346
flat angles P-C4'-P energy: -36.088
tors. eta vs tors. theta energy: -64.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -767.101354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.101354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.101354 (E_RNA)
where:
Base-Base interactions energy: -538.105
where: short stacking energy: -219.443
Base-Backbone interact. energy: -0.902
local terms energy: -228.093870
where:
bonds (distance) C4'-P energy: -41.921
bonds (distance) P-C4' energy: -47.188
flat angles C4'-P-C4' energy: -41.212
flat angles P-C4'-P energy: -43.718
tors. eta vs tors. theta energy: -54.056
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: 7, replica: 2
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -716.470299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.470299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.470299 (E_RNA)
where:
Base-Base interactions energy: -482.834
where: short stacking energy: -206.434
Base-Backbone interact. energy: -0.766
local terms energy: -232.869699
where:
bonds (distance) C4'-P energy: -47.280
bonds (distance) P-C4' energy: -42.182
flat angles C4'-P-C4' energy: -47.369
flat angles P-C4'-P energy: -42.125
tors. eta vs tors. theta energy: -53.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -614.351956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.351956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.351956 (E_RNA)
where:
Base-Base interactions energy: -412.639
where: short stacking energy: -168.457
Base-Backbone interact. energy: -0.886
local terms energy: -200.826089
where:
bonds (distance) C4'-P energy: -50.795
bonds (distance) P-C4' energy: -43.867
flat angles C4'-P-C4' energy: -46.070
flat angles P-C4'-P energy: -21.234
tors. eta vs tors. theta energy: -38.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -504.463494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.463494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.463494 (E_RNA)
where:
Base-Base interactions energy: -312.309
where: short stacking energy: -146.030
Base-Backbone interact. energy: -0.609
local terms energy: -191.545752
where:
bonds (distance) C4'-P energy: -39.558
bonds (distance) P-C4' energy: -46.667
flat angles C4'-P-C4' energy: -42.512
flat angles P-C4'-P energy: -38.847
tors. eta vs tors. theta energy: -23.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -529.212064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.212064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.212064 (E_RNA)
where:
Base-Base interactions energy: -336.398
where: short stacking energy: -141.464
Base-Backbone interact. energy: -1.563
local terms energy: -191.251259
where:
bonds (distance) C4'-P energy: -48.547
bonds (distance) P-C4' energy: -40.968
flat angles C4'-P-C4' energy: -42.812
flat angles P-C4'-P energy: -35.892
tors. eta vs tors. theta energy: -23.032
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: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -974.312455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.312455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.312455 (E_RNA)
where:
Base-Base interactions energy: -697.800
where: short stacking energy: -282.353
Base-Backbone interact. energy: -0.325
local terms energy: -276.186829
where:
bonds (distance) C4'-P energy: -53.821
bonds (distance) P-C4' energy: -49.504
flat angles C4'-P-C4' energy: -61.587
flat angles P-C4'-P energy: -38.588
tors. eta vs tors. theta energy: -72.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -956.754772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.754772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.754772 (E_RNA)
where:
Base-Base interactions energy: -682.494
where: short stacking energy: -274.647
Base-Backbone interact. energy: -3.859
local terms energy: -270.401237
where:
bonds (distance) C4'-P energy: -42.469
bonds (distance) P-C4' energy: -53.533
flat angles C4'-P-C4' energy: -55.929
flat angles P-C4'-P energy: -33.784
tors. eta vs tors. theta energy: -84.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -904.191054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.191054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.191054 (E_RNA)
where:
Base-Base interactions energy: -625.952
where: short stacking energy: -252.188
Base-Backbone interact. energy: -0.918
local terms energy: -277.321018
where:
bonds (distance) C4'-P energy: -54.399
bonds (distance) P-C4' energy: -52.353
flat angles C4'-P-C4' energy: -57.997
flat angles P-C4'-P energy: -40.025
tors. eta vs tors. theta energy: -72.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -883.166372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.166372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.166372 (E_RNA)
where:
Base-Base interactions energy: -621.445
where: short stacking energy: -261.353
Base-Backbone interact. energy: -1.257
local terms energy: -260.463643
where:
bonds (distance) C4'-P energy: -41.862
bonds (distance) P-C4' energy: -52.036
flat angles C4'-P-C4' energy: -58.285
flat angles P-C4'-P energy: -40.950
tors. eta vs tors. theta energy: -67.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -839.158457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.158457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.158457 (E_RNA)
where:
Base-Base interactions energy: -586.538
where: short stacking energy: -220.008
Base-Backbone interact. energy: -2.094
local terms energy: -250.526608
where:
bonds (distance) C4'-P energy: -48.138
bonds (distance) P-C4' energy: -55.550
flat angles C4'-P-C4' energy: -54.581
flat angles P-C4'-P energy: -36.659
tors. eta vs tors. theta energy: -55.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -752.821525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.821525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.821525 (E_RNA)
where:
Base-Base interactions energy: -519.871
where: short stacking energy: -214.287
Base-Backbone interact. energy: -0.936
local terms energy: -232.014599
where:
bonds (distance) C4'-P energy: -42.446
bonds (distance) P-C4' energy: -52.649
flat angles C4'-P-C4' energy: -50.063
flat angles P-C4'-P energy: -36.241
tors. eta vs tors. theta energy: -50.615
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: 2
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -740.709055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.709055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.709055 (E_RNA)
where:
Base-Base interactions energy: -518.399
where: short stacking energy: -224.198
Base-Backbone interact. energy: -1.221
local terms energy: -221.089544
where:
bonds (distance) C4'-P energy: -37.157
bonds (distance) P-C4' energy: -32.050
flat angles C4'-P-C4' energy: -47.761
flat angles P-C4'-P energy: -43.014
tors. eta vs tors. theta energy: -61.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -626.943881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.943881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.943881 (E_RNA)
where:
Base-Base interactions energy: -421.011
where: short stacking energy: -182.780
Base-Backbone interact. energy: 1.354
local terms energy: -207.287525
where:
bonds (distance) C4'-P energy: -42.830
bonds (distance) P-C4' energy: -50.796
flat angles C4'-P-C4' energy: -46.381
flat angles P-C4'-P energy: -32.042
tors. eta vs tors. theta energy: -35.239
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: 3
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -534.524250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.524250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.524250 (E_RNA)
where:
Base-Base interactions energy: -355.036
where: short stacking energy: -157.910
Base-Backbone interact. energy: 1.140
local terms energy: -180.628253
where:
bonds (distance) C4'-P energy: -51.809
bonds (distance) P-C4' energy: -46.125
flat angles C4'-P-C4' energy: -37.269
flat angles P-C4'-P energy: -19.807
tors. eta vs tors. theta energy: -25.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -486.095545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.095545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.095545 (E_RNA)
where:
Base-Base interactions energy: -305.964
where: short stacking energy: -119.311
Base-Backbone interact. energy: -0.378
local terms energy: -179.753074
where:
bonds (distance) C4'-P energy: -38.727
bonds (distance) P-C4' energy: -44.632
flat angles C4'-P-C4' energy: -52.746
flat angles P-C4'-P energy: -31.789
tors. eta vs tors. theta energy: -11.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -977.925155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.925155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.925155 (E_RNA)
where:
Base-Base interactions energy: -695.845
where: short stacking energy: -286.926
Base-Backbone interact. energy: 2.241
local terms energy: -284.321501
where:
bonds (distance) C4'-P energy: -57.163
bonds (distance) P-C4' energy: -57.878
flat angles C4'-P-C4' energy: -48.875
flat angles P-C4'-P energy: -42.724
tors. eta vs tors. theta energy: -77.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -968.760419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.760419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.760419 (E_RNA)
where:
Base-Base interactions energy: -682.233
where: short stacking energy: -273.134
Base-Backbone interact. energy: -1.977
local terms energy: -284.550103
where:
bonds (distance) C4'-P energy: -47.624
bonds (distance) P-C4' energy: -56.160
flat angles C4'-P-C4' energy: -58.249
flat angles P-C4'-P energy: -44.873
tors. eta vs tors. theta energy: -77.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -892.550300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.550300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.550300 (E_RNA)
where:
Base-Base interactions energy: -632.726
where: short stacking energy: -265.717
Base-Backbone interact. energy: -1.758
local terms energy: -258.066364
where:
bonds (distance) C4'-P energy: -47.316
bonds (distance) P-C4' energy: -49.898
flat angles C4'-P-C4' energy: -50.589
flat angles P-C4'-P energy: -40.744
tors. eta vs tors. theta energy: -69.520
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: 6
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -897.703408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.703408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.703408 (E_RNA)
where:
Base-Base interactions energy: -621.325
where: short stacking energy: -262.879
Base-Backbone interact. energy: -0.961
local terms energy: -275.416758
where:
bonds (distance) C4'-P energy: -53.749
bonds (distance) P-C4' energy: -43.583
flat angles C4'-P-C4' energy: -57.457
flat angles P-C4'-P energy: -46.785
tors. eta vs tors. theta energy: -73.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -863.540989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.540989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.540989 (E_RNA)
where:
Base-Base interactions energy: -609.099
where: short stacking energy: -247.337
Base-Backbone interact. energy: -1.237
local terms energy: -253.205253
where:
bonds (distance) C4'-P energy: -50.440
bonds (distance) P-C4' energy: -41.498
flat angles C4'-P-C4' energy: -56.481
flat angles P-C4'-P energy: -34.315
tors. eta vs tors. theta energy: -70.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -749.718568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.718568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.718568 (E_RNA)
where:
Base-Base interactions energy: -512.189
where: short stacking energy: -204.906
Base-Backbone interact. energy: -0.324
local terms energy: -237.206282
where:
bonds (distance) C4'-P energy: -49.433
bonds (distance) P-C4' energy: -54.193
flat angles C4'-P-C4' energy: -55.644
flat angles P-C4'-P energy: -31.811
tors. eta vs tors. theta energy: -46.126
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: 2
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -721.576867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.576867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.576867 (E_RNA)
where:
Base-Base interactions energy: -476.757
where: short stacking energy: -206.519
Base-Backbone interact. energy: 2.343
local terms energy: -247.163103
where:
bonds (distance) C4'-P energy: -50.534
bonds (distance) P-C4' energy: -54.843
flat angles C4'-P-C4' energy: -53.017
flat angles P-C4'-P energy: -33.183
tors. eta vs tors. theta energy: -55.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -638.156504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.156504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.156504 (E_RNA)
where:
Base-Base interactions energy: -425.388
where: short stacking energy: -192.131
Base-Backbone interact. energy: -2.761
local terms energy: -210.007710
where:
bonds (distance) C4'-P energy: -45.235
bonds (distance) P-C4' energy: -44.485
flat angles C4'-P-C4' energy: -47.263
flat angles P-C4'-P energy: -33.447
tors. eta vs tors. theta energy: -39.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -477.605944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.605944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.605944 (E_RNA)
where:
Base-Base interactions energy: -292.266
where: short stacking energy: -132.026
Base-Backbone interact. energy: -1.606
local terms energy: -183.733981
where:
bonds (distance) C4'-P energy: -44.875
bonds (distance) P-C4' energy: -51.111
flat angles C4'-P-C4' energy: -45.744
flat angles P-C4'-P energy: -24.115
tors. eta vs tors. theta energy: -17.889
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: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -485.095647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.095647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.095647 (E_RNA)
where:
Base-Base interactions energy: -314.248
where: short stacking energy: -135.161
Base-Backbone interact. energy: 0.363
local terms energy: -171.210859
where:
bonds (distance) C4'-P energy: -29.392
bonds (distance) P-C4' energy: -49.163
flat angles C4'-P-C4' energy: -42.407
flat angles P-C4'-P energy: -31.874
tors. eta vs tors. theta energy: -18.376
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: 5
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -971.281353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.281353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.281353 (E_RNA)
where:
Base-Base interactions energy: -676.935
where: short stacking energy: -277.675
Base-Backbone interact. energy: -0.977
local terms energy: -293.368700
where:
bonds (distance) C4'-P energy: -57.484
bonds (distance) P-C4' energy: -45.779
flat angles C4'-P-C4' energy: -66.645
flat angles P-C4'-P energy: -43.170
tors. eta vs tors. theta energy: -80.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -961.088296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.088296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.088296 (E_RNA)
where:
Base-Base interactions energy: -662.258
where: short stacking energy: -263.005
Base-Backbone interact. energy: -0.859
local terms energy: -297.970946
where:
bonds (distance) C4'-P energy: -51.570
bonds (distance) P-C4' energy: -66.835
flat angles C4'-P-C4' energy: -58.708
flat angles P-C4'-P energy: -46.561
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: 3, replica: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -934.558068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.558068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.558068 (E_RNA)
where:
Base-Base interactions energy: -660.961
where: short stacking energy: -264.979
Base-Backbone interact. energy: -2.444
local terms energy: -271.153226
where:
bonds (distance) C4'-P energy: -50.383
bonds (distance) P-C4' energy: -49.038
flat angles C4'-P-C4' energy: -57.470
flat angles P-C4'-P energy: -38.296
tors. eta vs tors. theta energy: -75.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -909.043386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.043386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.043386 (E_RNA)
where:
Base-Base interactions energy: -636.579
where: short stacking energy: -249.822
Base-Backbone interact. energy: -0.054
local terms energy: -272.410971
where:
bonds (distance) C4'-P energy: -52.521
bonds (distance) P-C4' energy: -58.036
flat angles C4'-P-C4' energy: -58.720
flat angles P-C4'-P energy: -32.674
tors. eta vs tors. theta energy: -70.460
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: 10
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -867.563716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.563716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.563716 (E_RNA)
where:
Base-Base interactions energy: -614.469
where: short stacking energy: -239.826
Base-Backbone interact. energy: -1.828
local terms energy: -251.266606
where:
bonds (distance) C4'-P energy: -44.477
bonds (distance) P-C4' energy: -51.220
flat angles C4'-P-C4' energy: -55.107
flat angles P-C4'-P energy: -38.318
tors. eta vs tors. theta energy: -62.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -736.659434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.659434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.659434 (E_RNA)
where:
Base-Base interactions energy: -502.888
where: short stacking energy: -204.849
Base-Backbone interact. energy: -1.274
local terms energy: -232.497470
where:
bonds (distance) C4'-P energy: -52.842
bonds (distance) P-C4' energy: -52.332
flat angles C4'-P-C4' energy: -53.126
flat angles P-C4'-P energy: -30.844
tors. eta vs tors. theta energy: -43.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -751.240633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.240633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.240633 (E_RNA)
where:
Base-Base interactions energy: -516.940
where: short stacking energy: -216.663
Base-Backbone interact. energy: -1.675
local terms energy: -232.624885
where:
bonds (distance) C4'-P energy: -41.174
bonds (distance) P-C4' energy: -49.824
flat angles C4'-P-C4' energy: -55.834
flat angles P-C4'-P energy: -32.894
tors. eta vs tors. theta energy: -52.899
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: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -626.722290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.722290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.722290 (E_RNA)
where:
Base-Base interactions energy: -413.407
where: short stacking energy: -201.787
Base-Backbone interact. energy: 1.323
local terms energy: -214.638326
where:
bonds (distance) C4'-P energy: -37.646
bonds (distance) P-C4' energy: -54.600
flat angles C4'-P-C4' energy: -48.784
flat angles P-C4'-P energy: -31.615
tors. eta vs tors. theta energy: -41.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -473.791210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.791210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.791210 (E_RNA)
where:
Base-Base interactions energy: -283.681
where: short stacking energy: -115.337
Base-Backbone interact. energy: -1.365
local terms energy: -188.744566
where:
bonds (distance) C4'-P energy: -46.033
bonds (distance) P-C4' energy: -48.705
flat angles C4'-P-C4' energy: -49.287
flat angles P-C4'-P energy: -23.947
tors. eta vs tors. theta energy: -20.772
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: 3
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -473.867400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.867400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.867400 (E_RNA)
where:
Base-Base interactions energy: -289.763
where: short stacking energy: -136.090
Base-Backbone interact. energy: 1.772
local terms energy: -185.876961
where:
bonds (distance) C4'-P energy: -39.534
bonds (distance) P-C4' energy: -48.938
flat angles C4'-P-C4' energy: -44.201
flat angles P-C4'-P energy: -37.090
tors. eta vs tors. theta energy: -16.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -974.466285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.466285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.466285 (E_RNA)
where:
Base-Base interactions energy: -673.731
where: short stacking energy: -267.413
Base-Backbone interact. energy: -3.115
local terms energy: -297.620247
where:
bonds (distance) C4'-P energy: -60.731
bonds (distance) P-C4' energy: -54.024
flat angles C4'-P-C4' energy: -61.441
flat angles P-C4'-P energy: -43.228
tors. eta vs tors. theta energy: -78.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -962.681794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.681794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.681794 (E_RNA)
where:
Base-Base interactions energy: -683.497
where: short stacking energy: -261.794
Base-Backbone interact. energy: -2.469
local terms energy: -276.715852
where:
bonds (distance) C4'-P energy: -56.280
bonds (distance) P-C4' energy: -47.513
flat angles C4'-P-C4' energy: -56.819
flat angles P-C4'-P energy: -41.045
tors. eta vs tors. theta energy: -75.060
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: 1
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -939.683673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.683673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.683673 (E_RNA)
where:
Base-Base interactions energy: -657.327
where: short stacking energy: -284.013
Base-Backbone interact. energy: -2.477
local terms energy: -279.879319
where:
bonds (distance) C4'-P energy: -52.243
bonds (distance) P-C4' energy: -47.225
flat angles C4'-P-C4' energy: -59.716
flat angles P-C4'-P energy: -44.728
tors. eta vs tors. theta energy: -75.968
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: 4, replica: 10
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -877.296769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.296769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.296769 (E_RNA)
where:
Base-Base interactions energy: -616.565
where: short stacking energy: -252.307
Base-Backbone interact. energy: -2.290
local terms energy: -258.442188
where:
bonds (distance) C4'-P energy: -57.050
bonds (distance) P-C4' energy: -53.223
flat angles C4'-P-C4' energy: -52.810
flat angles P-C4'-P energy: -29.784
tors. eta vs tors. theta energy: -65.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -852.111220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.111220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.111220 (E_RNA)
where:
Base-Base interactions energy: -586.870
where: short stacking energy: -241.666
Base-Backbone interact. energy: -1.045
local terms energy: -264.196083
where:
bonds (distance) C4'-P energy: -53.311
bonds (distance) P-C4' energy: -52.002
flat angles C4'-P-C4' energy: -57.462
flat angles P-C4'-P energy: -37.099
tors. eta vs tors. theta energy: -64.322
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: 9
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -728.213043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.213043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.213043 (E_RNA)
where:
Base-Base interactions energy: -502.733
where: short stacking energy: -193.081
Base-Backbone interact. energy: -0.424
local terms energy: -225.056574
where:
bonds (distance) C4'-P energy: -38.335
bonds (distance) P-C4' energy: -55.720
flat angles C4'-P-C4' energy: -55.368
flat angles P-C4'-P energy: -33.503
tors. eta vs tors. theta energy: -42.130
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: 7, replica: 2
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -716.071861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.071861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.071861 (E_RNA)
where:
Base-Base interactions energy: -497.126
where: short stacking energy: -203.934
Base-Backbone interact. energy: 0.500
local terms energy: -219.446087
where:
bonds (distance) C4'-P energy: -47.983
bonds (distance) P-C4' energy: -44.148
flat angles C4'-P-C4' energy: -47.720
flat angles P-C4'-P energy: -32.426
tors. eta vs tors. theta energy: -47.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -611.608960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.608960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.608960 (E_RNA)
where:
Base-Base interactions energy: -408.636
where: short stacking energy: -180.247
Base-Backbone interact. energy: -1.938
local terms energy: -201.035353
where:
bonds (distance) C4'-P energy: -34.079
bonds (distance) P-C4' energy: -44.888
flat angles C4'-P-C4' energy: -53.482
flat angles P-C4'-P energy: -29.215
tors. eta vs tors. theta energy: -39.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -470.763831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.763831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.763831 (E_RNA)
where:
Base-Base interactions energy: -296.932
where: short stacking energy: -130.641
Base-Backbone interact. energy: -0.667
local terms energy: -173.164953
where:
bonds (distance) C4'-P energy: -37.943
bonds (distance) P-C4' energy: -50.155
flat angles C4'-P-C4' energy: -34.274
flat angles P-C4'-P energy: -29.456
tors. eta vs tors. theta energy: -21.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -464.077514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.077514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.077514 (E_RNA)
where:
Base-Base interactions energy: -280.427
where: short stacking energy: -132.052
Base-Backbone interact. energy: 0.326
local terms energy: -183.976464
where:
bonds (distance) C4'-P energy: -35.628
bonds (distance) P-C4' energy: -49.290
flat angles C4'-P-C4' energy: -53.786
flat angles P-C4'-P energy: -23.760
tors. eta vs tors. theta energy: -21.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -986.925932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.925932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.925932 (E_RNA)
where:
Base-Base interactions energy: -696.427
where: short stacking energy: -280.781
Base-Backbone interact. energy: -2.300
local terms energy: -288.198528
where:
bonds (distance) C4'-P energy: -54.110
bonds (distance) P-C4' energy: -49.882
flat angles C4'-P-C4' energy: -65.667
flat angles P-C4'-P energy: -44.852
tors. eta vs tors. theta energy: -73.688
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: 5
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -950.226362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.226362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.226362 (E_RNA)
where:
Base-Base interactions energy: -653.857
where: short stacking energy: -263.579
Base-Backbone interact. energy: -3.839
local terms energy: -292.529945
where:
bonds (distance) C4'-P energy: -60.614
bonds (distance) P-C4' energy: -57.098
flat angles C4'-P-C4' energy: -61.106
flat angles P-C4'-P energy: -38.041
tors. eta vs tors. theta energy: -75.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -931.780414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.780414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.780414 (E_RNA)
where:
Base-Base interactions energy: -654.823
where: short stacking energy: -275.624
Base-Backbone interact. energy: 1.223
local terms energy: -278.180958
where:
bonds (distance) C4'-P energy: -50.093
bonds (distance) P-C4' energy: -43.644
flat angles C4'-P-C4' energy: -59.655
flat angles P-C4'-P energy: -42.521
tors. eta vs tors. theta energy: -82.267
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: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -874.562353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.562353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.562353 (E_RNA)
where:
Base-Base interactions energy: -617.212
where: short stacking energy: -244.943
Base-Backbone interact. energy: 0.844
local terms energy: -258.194151
where:
bonds (distance) C4'-P energy: -46.192
bonds (distance) P-C4' energy: -51.421
flat angles C4'-P-C4' energy: -53.201
flat angles P-C4'-P energy: -39.170
tors. eta vs tors. theta energy: -68.210
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: 5, replica: 6
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -868.417456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.417456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.417456 (E_RNA)
where:
Base-Base interactions energy: -611.799
where: short stacking energy: -253.455
Base-Backbone interact. energy: -0.414
local terms energy: -256.204845
where:
bonds (distance) C4'-P energy: -55.125
bonds (distance) P-C4' energy: -45.891
flat angles C4'-P-C4' energy: -50.042
flat angles P-C4'-P energy: -34.722
tors. eta vs tors. theta energy: -70.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -704.074247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.074247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.074247 (E_RNA)
where:
Base-Base interactions energy: -479.687
where: short stacking energy: -199.120
Base-Backbone interact. energy: -1.776
local terms energy: -222.611253
where:
bonds (distance) C4'-P energy: -57.582
bonds (distance) P-C4' energy: -54.708
flat angles C4'-P-C4' energy: -51.478
flat angles P-C4'-P energy: -21.851
tors. eta vs tors. theta energy: -36.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -704.817987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.817987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.817987 (E_RNA)
where:
Base-Base interactions energy: -483.642
where: short stacking energy: -205.280
Base-Backbone interact. energy: 5.991
local terms energy: -227.167338
where:
bonds (distance) C4'-P energy: -45.639
bonds (distance) P-C4' energy: -47.852
flat angles C4'-P-C4' energy: -45.627
flat angles P-C4'-P energy: -40.779
tors. eta vs tors. theta energy: -47.270
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: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -595.678328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.678328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.678328 (E_RNA)
where:
Base-Base interactions energy: -382.449
where: short stacking energy: -167.748
Base-Backbone interact. energy: -1.601
local terms energy: -211.627586
where:
bonds (distance) C4'-P energy: -45.136
bonds (distance) P-C4' energy: -50.383
flat angles C4'-P-C4' energy: -39.170
flat angles P-C4'-P energy: -36.892
tors. eta vs tors. theta energy: -40.046
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: 7
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -509.989648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.989648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.989648 (E_RNA)
where:
Base-Base interactions energy: -314.828
where: short stacking energy: -131.312
Base-Backbone interact. energy: 0.375
local terms energy: -195.536293
where:
bonds (distance) C4'-P energy: -53.700
bonds (distance) P-C4' energy: -50.541
flat angles C4'-P-C4' energy: -52.062
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -22.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -456.707317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.707317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.707317 (E_RNA)
where:
Base-Base interactions energy: -270.389
where: short stacking energy: -129.644
Base-Backbone interact. energy: -0.357
local terms energy: -185.961026
where:
bonds (distance) C4'-P energy: -38.441
bonds (distance) P-C4' energy: -52.190
flat angles C4'-P-C4' energy: -36.241
flat angles P-C4'-P energy: -29.563
tors. eta vs tors. theta energy: -29.526
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: 4
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -978.060205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.060205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.060205 (E_RNA)
where:
Base-Base interactions energy: -699.348
where: short stacking energy: -285.483
Base-Backbone interact. energy: -0.999
local terms energy: -277.712756
where:
bonds (distance) C4'-P energy: -47.603
bonds (distance) P-C4' energy: -60.349
flat angles C4'-P-C4' energy: -65.303
flat angles P-C4'-P energy: -35.665
tors. eta vs tors. theta energy: -68.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -947.547685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.547685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.547685 (E_RNA)
where:
Base-Base interactions energy: -670.699
where: short stacking energy: -273.787
Base-Backbone interact. energy: -3.056
local terms energy: -273.792953
where:
bonds (distance) C4'-P energy: -59.657
bonds (distance) P-C4' energy: -50.317
flat angles C4'-P-C4' energy: -57.193
flat angles P-C4'-P energy: -31.143
tors. eta vs tors. theta energy: -75.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -927.841228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.841228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.841228 (E_RNA)
where:
Base-Base interactions energy: -657.217
where: short stacking energy: -284.563
Base-Backbone interact. energy: -2.949
local terms energy: -267.675044
where:
bonds (distance) C4'-P energy: -41.933
bonds (distance) P-C4' energy: -44.681
flat angles C4'-P-C4' energy: -59.559
flat angles P-C4'-P energy: -41.828
tors. eta vs tors. theta energy: -79.674
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: 6
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -867.738503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.738503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.738503 (E_RNA)
where:
Base-Base interactions energy: -614.328
where: short stacking energy: -255.218
Base-Backbone interact. energy: 0.565
local terms energy: -253.975614
where:
bonds (distance) C4'-P energy: -46.144
bonds (distance) P-C4' energy: -45.646
flat angles C4'-P-C4' energy: -53.601
flat angles P-C4'-P energy: -45.718
tors. eta vs tors. theta energy: -62.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -867.100057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.100057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.100057 (E_RNA)
where:
Base-Base interactions energy: -627.202
where: short stacking energy: -241.445
Base-Backbone interact. energy: 4.430
local terms energy: -244.328598
where:
bonds (distance) C4'-P energy: -40.942
bonds (distance) P-C4' energy: -58.856
flat angles C4'-P-C4' energy: -47.499
flat angles P-C4'-P energy: -34.678
tors. eta vs tors. theta energy: -62.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -744.376884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.376884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.376884 (E_RNA)
where:
Base-Base interactions energy: -496.526
where: short stacking energy: -209.713
Base-Backbone interact. energy: -1.288
local terms energy: -246.562636
where:
bonds (distance) C4'-P energy: -56.808
bonds (distance) P-C4' energy: -53.782
flat angles C4'-P-C4' energy: -46.422
flat angles P-C4'-P energy: -34.630
tors. eta vs tors. theta energy: -54.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -704.584886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.584886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.584886 (E_RNA)
where:
Base-Base interactions energy: -503.782
where: short stacking energy: -210.604
Base-Backbone interact. energy: 1.210
local terms energy: -202.011969
where:
bonds (distance) C4'-P energy: -37.422
bonds (distance) P-C4' energy: -57.689
flat angles C4'-P-C4' energy: -46.028
flat angles P-C4'-P energy: -26.376
tors. eta vs tors. theta energy: -34.497
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: 8
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -612.998203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.998203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.998203 (E_RNA)
where:
Base-Base interactions energy: -415.011
where: short stacking energy: -175.237
Base-Backbone interact. energy: -0.747
local terms energy: -197.240045
where:
bonds (distance) C4'-P energy: -39.211
bonds (distance) P-C4' energy: -40.246
flat angles C4'-P-C4' energy: -51.619
flat angles P-C4'-P energy: -31.625
tors. eta vs tors. theta energy: -34.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -460.881356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.881356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.881356 (E_RNA)
where:
Base-Base interactions energy: -280.643
where: short stacking energy: -126.515
Base-Backbone interact. energy: -0.419
local terms energy: -179.819543
where:
bonds (distance) C4'-P energy: -48.892
bonds (distance) P-C4' energy: -44.417
flat angles C4'-P-C4' energy: -45.957
flat angles P-C4'-P energy: -17.244
tors. eta vs tors. theta energy: -23.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -485.907580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.907580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.907580 (E_RNA)
where:
Base-Base interactions energy: -312.097
where: short stacking energy: -150.381
Base-Backbone interact. energy: -0.777
local terms energy: -173.034331
where:
bonds (distance) C4'-P energy: -55.977
bonds (distance) P-C4' energy: -36.266
flat angles C4'-P-C4' energy: -38.200
flat angles P-C4'-P energy: -26.822
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -978.533508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.533508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.533508 (E_RNA)
where:
Base-Base interactions energy: -695.540
where: short stacking energy: -281.777
Base-Backbone interact. energy: -0.836
local terms energy: -282.157450
where:
bonds (distance) C4'-P energy: -50.502
bonds (distance) P-C4' energy: -54.759
flat angles C4'-P-C4' energy: -61.830
flat angles P-C4'-P energy: -38.290
tors. eta vs tors. theta energy: -76.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -955.350609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.350609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.350609 (E_RNA)
where:
Base-Base interactions energy: -659.578
where: short stacking energy: -278.543
Base-Backbone interact. energy: -1.500
local terms energy: -294.272631
where:
bonds (distance) C4'-P energy: -56.590
bonds (distance) P-C4' energy: -49.607
flat angles C4'-P-C4' energy: -64.362
flat angles P-C4'-P energy: -45.541
tors. eta vs tors. theta energy: -78.172
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: 5
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -922.662433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.662433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.662433 (E_RNA)
where:
Base-Base interactions energy: -643.182
where: short stacking energy: -249.534
Base-Backbone interact. energy: -1.482
local terms energy: -277.997587
where:
bonds (distance) C4'-P energy: -51.535
bonds (distance) P-C4' energy: -59.657
flat angles C4'-P-C4' energy: -54.391
flat angles P-C4'-P energy: -40.534
tors. eta vs tors. theta energy: -71.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -854.120191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.120191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.120191 (E_RNA)
where:
Base-Base interactions energy: -592.640
where: short stacking energy: -234.726
Base-Backbone interact. energy: -2.384
local terms energy: -259.096951
where:
bonds (distance) C4'-P energy: -50.772
bonds (distance) P-C4' energy: -51.732
flat angles C4'-P-C4' energy: -54.302
flat angles P-C4'-P energy: -44.125
tors. eta vs tors. theta energy: -58.165
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: 10
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -837.961399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.961399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.961399 (E_RNA)
where:
Base-Base interactions energy: -584.189
where: short stacking energy: -229.139
Base-Backbone interact. energy: -1.234
local terms energy: -252.538048
where:
bonds (distance) C4'-P energy: -44.245
bonds (distance) P-C4' energy: -50.032
flat angles C4'-P-C4' energy: -51.654
flat angles P-C4'-P energy: -40.654
tors. eta vs tors. theta energy: -65.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -741.990312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.990312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.990312 (E_RNA)
where:
Base-Base interactions energy: -515.603
where: short stacking energy: -221.894
Base-Backbone interact. energy: -1.042
local terms energy: -225.345802
where:
bonds (distance) C4'-P energy: -48.783
bonds (distance) P-C4' energy: -39.979
flat angles C4'-P-C4' energy: -51.764
flat angles P-C4'-P energy: -35.796
tors. eta vs tors. theta energy: -49.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -720.470419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.470419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.470419 (E_RNA)
where:
Base-Base interactions energy: -488.013
where: short stacking energy: -201.669
Base-Backbone interact. energy: -2.968
local terms energy: -229.488764
where:
bonds (distance) C4'-P energy: -44.045
bonds (distance) P-C4' energy: -54.768
flat angles C4'-P-C4' energy: -51.388
flat angles P-C4'-P energy: -28.213
tors. eta vs tors. theta energy: -51.074
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: 8, replica: 8
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -631.470121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.470121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.470121 (E_RNA)
where:
Base-Base interactions energy: -430.813
where: short stacking energy: -186.538
Base-Backbone interact. energy: -0.155
local terms energy: -200.501961
where:
bonds (distance) C4'-P energy: -41.867
bonds (distance) P-C4' energy: -43.085
flat angles C4'-P-C4' energy: -51.524
flat angles P-C4'-P energy: -29.911
tors. eta vs tors. theta energy: -34.115
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: 9, replica: 3
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -541.755508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.755508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.755508 (E_RNA)
where:
Base-Base interactions energy: -341.876
where: short stacking energy: -156.871
Base-Backbone interact. energy: -1.330
local terms energy: -198.549214
where:
bonds (distance) C4'-P energy: -41.688
bonds (distance) P-C4' energy: -52.526
flat angles C4'-P-C4' energy: -46.194
flat angles P-C4'-P energy: -28.251
tors. eta vs tors. theta energy: -29.891
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: 10, replica: 7
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -470.418764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.418764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.418764 (E_RNA)
where:
Base-Base interactions energy: -275.282
where: short stacking energy: -117.429
Base-Backbone interact. energy: 1.226
local terms energy: -196.363175
where:
bonds (distance) C4'-P energy: -35.164
bonds (distance) P-C4' energy: -56.828
flat angles C4'-P-C4' energy: -51.709
flat angles P-C4'-P energy: -34.852
tors. eta vs tors. theta energy: -17.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -983.179083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.179083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.179083 (E_RNA)
where:
Base-Base interactions energy: -699.366
where: short stacking energy: -272.690
Base-Backbone interact. energy: -0.951
local terms energy: -282.862326
where:
bonds (distance) C4'-P energy: -56.019
bonds (distance) P-C4' energy: -49.453
flat angles C4'-P-C4' energy: -60.171
flat angles P-C4'-P energy: -39.486
tors. eta vs tors. theta energy: -77.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -957.192478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.192478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.192478 (E_RNA)
where:
Base-Base interactions energy: -671.392
where: short stacking energy: -267.194
Base-Backbone interact. energy: -1.453
local terms energy: -284.347572
where:
bonds (distance) C4'-P energy: -52.035
bonds (distance) P-C4' energy: -57.008
flat angles C4'-P-C4' energy: -57.648
flat angles P-C4'-P energy: -39.930
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: 3, replica: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -911.968209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.968209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.968209 (E_RNA)
where:
Base-Base interactions energy: -643.059
where: short stacking energy: -273.393
Base-Backbone interact. energy: 1.099
local terms energy: -270.007771
where:
bonds (distance) C4'-P energy: -49.339
bonds (distance) P-C4' energy: -53.868
flat angles C4'-P-C4' energy: -54.554
flat angles P-C4'-P energy: -33.155
tors. eta vs tors. theta energy: -79.091
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: 6
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -839.750689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.750689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.750689 (E_RNA)
where:
Base-Base interactions energy: -578.500
where: short stacking energy: -240.245
Base-Backbone interact. energy: -1.034
local terms energy: -260.216773
where:
bonds (distance) C4'-P energy: -53.588
bonds (distance) P-C4' energy: -47.664
flat angles C4'-P-C4' energy: -62.464
flat angles P-C4'-P energy: -37.672
tors. eta vs tors. theta energy: -58.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -856.381366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.381366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.381366 (E_RNA)
where:
Base-Base interactions energy: -596.681
where: short stacking energy: -261.473
Base-Backbone interact. energy: -0.560
local terms energy: -259.140458
where:
bonds (distance) C4'-P energy: -51.603
bonds (distance) P-C4' energy: -50.108
flat angles C4'-P-C4' energy: -57.841
flat angles P-C4'-P energy: -30.070
tors. eta vs tors. theta energy: -69.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -783.994588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.994588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.994588 (E_RNA)
where:
Base-Base interactions energy: -546.101
where: short stacking energy: -224.304
Base-Backbone interact. energy: -1.304
local terms energy: -236.590296
where:
bonds (distance) C4'-P energy: -42.127
bonds (distance) P-C4' energy: -52.684
flat angles C4'-P-C4' energy: -53.970
flat angles P-C4'-P energy: -25.911
tors. eta vs tors. theta energy: -61.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -708.642683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.642683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.642683 (E_RNA)
where:
Base-Base interactions energy: -472.178
where: short stacking energy: -207.990
Base-Backbone interact. energy: -0.651
local terms energy: -235.813646
where:
bonds (distance) C4'-P energy: -55.327
bonds (distance) P-C4' energy: -46.586
flat angles C4'-P-C4' energy: -46.474
flat angles P-C4'-P energy: -38.110
tors. eta vs tors. theta energy: -49.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -635.852823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.852823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.852823 (E_RNA)
where:
Base-Base interactions energy: -418.961
where: short stacking energy: -182.037
Base-Backbone interact. energy: -0.701
local terms energy: -216.190902
where:
bonds (distance) C4'-P energy: -43.224
bonds (distance) P-C4' energy: -51.776
flat angles C4'-P-C4' energy: -41.114
flat angles P-C4'-P energy: -38.435
tors. eta vs tors. theta energy: -41.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -525.992544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.992544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.992544 (E_RNA)
where:
Base-Base interactions energy: -345.042
where: short stacking energy: -157.852
Base-Backbone interact. energy: 3.580
local terms energy: -184.530322
where:
bonds (distance) C4'-P energy: -42.261
bonds (distance) P-C4' energy: -39.064
flat angles C4'-P-C4' energy: -48.639
flat angles P-C4'-P energy: -27.295
tors. eta vs tors. theta energy: -27.271
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: 7
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -452.038629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.038629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.038629 (E_RNA)
where:
Base-Base interactions energy: -284.965
where: short stacking energy: -142.884
Base-Backbone interact. energy: 1.038
local terms energy: -168.111612
where:
bonds (distance) C4'-P energy: -34.010
bonds (distance) P-C4' energy: -32.186
flat angles C4'-P-C4' energy: -48.319
flat angles P-C4'-P energy: -30.129
tors. eta vs tors. theta energy: -23.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -988.527528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.527528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.527528 (E_RNA)
where:
Base-Base interactions energy: -680.793
where: short stacking energy: -272.538
Base-Backbone interact. energy: -0.647
local terms energy: -307.087108
where:
bonds (distance) C4'-P energy: -61.470
bonds (distance) P-C4' energy: -52.094
flat angles C4'-P-C4' energy: -64.615
flat angles P-C4'-P energy: -43.587
tors. eta vs tors. theta energy: -85.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -945.421481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.421481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.421481 (E_RNA)
where:
Base-Base interactions energy: -666.873
where: short stacking energy: -272.656
Base-Backbone interact. energy: -1.261
local terms energy: -277.286798
where:
bonds (distance) C4'-P energy: -56.706
bonds (distance) P-C4' energy: -52.797
flat angles C4'-P-C4' energy: -53.528
flat angles P-C4'-P energy: -37.570
tors. eta vs tors. theta energy: -76.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -915.374457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.374457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.374457 (E_RNA)
where:
Base-Base interactions energy: -630.198
where: short stacking energy: -259.511
Base-Backbone interact. energy: -1.567
local terms energy: -283.609233
where:
bonds (distance) C4'-P energy: -58.348
bonds (distance) P-C4' energy: -45.770
flat angles C4'-P-C4' energy: -60.366
flat angles P-C4'-P energy: -45.006
tors. eta vs tors. theta energy: -74.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -864.424593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.424593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.424593 (E_RNA)
where:
Base-Base interactions energy: -605.217
where: short stacking energy: -254.937
Base-Backbone interact. energy: -1.244
local terms energy: -257.963608
where:
bonds (distance) C4'-P energy: -35.456
bonds (distance) P-C4' energy: -54.226
flat angles C4'-P-C4' energy: -55.583
flat angles P-C4'-P energy: -39.640
tors. eta vs tors. theta energy: -73.059
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: 10
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -878.865309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.865309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.865309 (E_RNA)
where:
Base-Base interactions energy: -616.544
where: short stacking energy: -249.418
Base-Backbone interact. energy: -0.811
local terms energy: -261.510423
where:
bonds (distance) C4'-P energy: -53.026
bonds (distance) P-C4' energy: -45.443
flat angles C4'-P-C4' energy: -47.999
flat angles P-C4'-P energy: -38.412
tors. eta vs tors. theta energy: -76.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -758.351805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.351805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.351805 (E_RNA)
where:
Base-Base interactions energy: -518.064
where: short stacking energy: -224.374
Base-Backbone interact. energy: -0.743
local terms energy: -239.545040
where:
bonds (distance) C4'-P energy: -53.381
bonds (distance) P-C4' energy: -47.959
flat angles C4'-P-C4' energy: -52.817
flat angles P-C4'-P energy: -31.984
tors. eta vs tors. theta energy: -53.403
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: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -724.654805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.654805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.654805 (E_RNA)
where:
Base-Base interactions energy: -496.160
where: short stacking energy: -222.271
Base-Backbone interact. energy: 3.550
local terms energy: -232.044197
where:
bonds (distance) C4'-P energy: -47.659
bonds (distance) P-C4' energy: -49.514
flat angles C4'-P-C4' energy: -49.521
flat angles P-C4'-P energy: -35.448
tors. eta vs tors. theta energy: -49.903
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: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -680.854478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.854478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.854478 (E_RNA)
where:
Base-Base interactions energy: -456.347
where: short stacking energy: -191.743
Base-Backbone interact. energy: 0.724
local terms energy: -225.231802
where:
bonds (distance) C4'-P energy: -48.129
bonds (distance) P-C4' energy: -45.280
flat angles C4'-P-C4' energy: -51.254
flat angles P-C4'-P energy: -35.493
tors. eta vs tors. theta energy: -45.076
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: 3
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -567.441854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.441854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.441854 (E_RNA)
where:
Base-Base interactions energy: -369.236
where: short stacking energy: -168.222
Base-Backbone interact. energy: -0.262
local terms energy: -197.943458
where:
bonds (distance) C4'-P energy: -48.940
bonds (distance) P-C4' energy: -49.401
flat angles C4'-P-C4' energy: -34.603
flat angles P-C4'-P energy: -26.533
tors. eta vs tors. theta energy: -38.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -488.479116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.479116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.479116 (E_RNA)
where:
Base-Base interactions energy: -277.155
where: short stacking energy: -112.137
Base-Backbone interact. energy: 4.879
local terms energy: -216.203007
where:
bonds (distance) C4'-P energy: -47.350
bonds (distance) P-C4' energy: -54.491
flat angles C4'-P-C4' energy: -54.689
flat angles P-C4'-P energy: -39.340
tors. eta vs tors. theta energy: -20.333
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: 4
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -968.720990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.720990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.720990 (E_RNA)
where:
Base-Base interactions energy: -680.530
where: short stacking energy: -287.234
Base-Backbone interact. energy: -2.076
local terms energy: -286.114806
where:
bonds (distance) C4'-P energy: -50.237
bonds (distance) P-C4' energy: -58.215
flat angles C4'-P-C4' energy: -53.781
flat angles P-C4'-P energy: -38.766
tors. eta vs tors. theta energy: -85.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -966.778370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.778370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.778370 (E_RNA)
where:
Base-Base interactions energy: -672.782
where: short stacking energy: -292.013
Base-Backbone interact. energy: -2.393
local terms energy: -291.602724
where:
bonds (distance) C4'-P energy: -51.153
bonds (distance) P-C4' energy: -52.645
flat angles C4'-P-C4' energy: -60.809
flat angles P-C4'-P energy: -42.383
tors. eta vs tors. theta energy: -84.612
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: 1
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -907.489131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.489131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.489131 (E_RNA)
where:
Base-Base interactions energy: -628.880
where: short stacking energy: -256.828
Base-Backbone interact. energy: -2.690
local terms energy: -275.918722
where:
bonds (distance) C4'-P energy: -52.128
bonds (distance) P-C4' energy: -47.036
flat angles C4'-P-C4' energy: -61.916
flat angles P-C4'-P energy: -42.189
tors. eta vs tors. theta energy: -72.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -876.441969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.441969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.441969 (E_RNA)
where:
Base-Base interactions energy: -608.236
where: short stacking energy: -253.455
Base-Backbone interact. energy: 2.923
local terms energy: -271.129512
where:
bonds (distance) C4'-P energy: -56.640
bonds (distance) P-C4' energy: -46.941
flat angles C4'-P-C4' energy: -57.804
flat angles P-C4'-P energy: -43.079
tors. eta vs tors. theta energy: -66.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -850.686934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.686934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.686934 (E_RNA)
where:
Base-Base interactions energy: -599.196
where: short stacking energy: -250.804
Base-Backbone interact. energy: -1.094
local terms energy: -250.397742
where:
bonds (distance) C4'-P energy: -41.114
bonds (distance) P-C4' energy: -47.990
flat angles C4'-P-C4' energy: -52.891
flat angles P-C4'-P energy: -42.549
tors. eta vs tors. theta energy: -65.854
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: 2
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -808.060919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.060919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.060919 (E_RNA)
where:
Base-Base interactions energy: -553.699
where: short stacking energy: -227.132
Base-Backbone interact. energy: -1.682
local terms energy: -252.680224
where:
bonds (distance) C4'-P energy: -44.168
bonds (distance) P-C4' energy: -46.381
flat angles C4'-P-C4' energy: -54.210
flat angles P-C4'-P energy: -37.441
tors. eta vs tors. theta energy: -70.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -702.002716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.002716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.002716 (E_RNA)
where:
Base-Base interactions energy: -473.342
where: short stacking energy: -206.911
Base-Backbone interact. energy: -0.727
local terms energy: -227.933752
where:
bonds (distance) C4'-P energy: -50.250
bonds (distance) P-C4' energy: -40.130
flat angles C4'-P-C4' energy: -56.747
flat angles P-C4'-P energy: -28.242
tors. eta vs tors. theta energy: -52.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -659.912546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.912546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.912546 (E_RNA)
where:
Base-Base interactions energy: -434.051
where: short stacking energy: -181.162
Base-Backbone interact. energy: 1.370
local terms energy: -227.231242
where:
bonds (distance) C4'-P energy: -45.793
bonds (distance) P-C4' energy: -50.576
flat angles C4'-P-C4' energy: -46.650
flat angles P-C4'-P energy: -30.754
tors. eta vs tors. theta energy: -53.458
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: 3
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -594.146824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.146824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.146824 (E_RNA)
where:
Base-Base interactions energy: -407.723
where: short stacking energy: -185.439
Base-Backbone interact. energy: -0.456
local terms energy: -185.968095
where:
bonds (distance) C4'-P energy: -47.640
bonds (distance) P-C4' energy: -43.437
flat angles C4'-P-C4' energy: -41.709
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -38.051
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: 10, replica: 7
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -502.608213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.608213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.608213 (E_RNA)
where:
Base-Base interactions energy: -311.207
where: short stacking energy: -121.243
Base-Backbone interact. energy: -1.608
local terms energy: -189.792811
where:
bonds (distance) C4'-P energy: -37.950
bonds (distance) P-C4' energy: -46.882
flat angles C4'-P-C4' energy: -39.497
flat angles P-C4'-P energy: -31.349
tors. eta vs tors. theta energy: -34.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -970.802508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.802508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.802508 (E_RNA)
where:
Base-Base interactions energy: -670.192
where: short stacking energy: -278.504
Base-Backbone interact. energy: -2.202
local terms energy: -298.408555
where:
bonds (distance) C4'-P energy: -57.660
bonds (distance) P-C4' energy: -59.085
flat angles C4'-P-C4' energy: -65.235
flat angles P-C4'-P energy: -35.171
tors. eta vs tors. theta energy: -81.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -945.685947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.685947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.685947 (E_RNA)
where:
Base-Base interactions energy: -676.030
where: short stacking energy: -273.107
Base-Backbone interact. energy: -0.892
local terms energy: -268.763718
where:
bonds (distance) C4'-P energy: -47.774
bonds (distance) P-C4' energy: -52.651
flat angles C4'-P-C4' energy: -55.853
flat angles P-C4'-P energy: -37.790
tors. eta vs tors. theta energy: -74.695
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: 3, replica: 10
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -914.192252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.192252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.192252 (E_RNA)
where:
Base-Base interactions energy: -643.572
where: short stacking energy: -248.345
Base-Backbone interact. energy: -1.227
local terms energy: -269.392811
where:
bonds (distance) C4'-P energy: -46.935
bonds (distance) P-C4' energy: -56.559
flat angles C4'-P-C4' energy: -61.473
flat angles P-C4'-P energy: -39.653
tors. eta vs tors. theta energy: -64.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -910.786769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.786769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.786769 (E_RNA)
where:
Base-Base interactions energy: -642.538
where: short stacking energy: -255.814
Base-Backbone interact. energy: -2.626
local terms energy: -265.622311
where:
bonds (distance) C4'-P energy: -46.896
bonds (distance) P-C4' energy: -57.292
flat angles C4'-P-C4' energy: -52.587
flat angles P-C4'-P energy: -38.022
tors. eta vs tors. theta energy: -70.825
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: 2
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -855.456481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.456481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.456481 (E_RNA)
where:
Base-Base interactions energy: -599.879
where: short stacking energy: -239.465
Base-Backbone interact. energy: 0.076
local terms energy: -255.653339
where:
bonds (distance) C4'-P energy: -54.133
bonds (distance) P-C4' energy: -50.328
flat angles C4'-P-C4' energy: -59.312
flat angles P-C4'-P energy: -29.356
tors. eta vs tors. theta energy: -62.524
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: 464
Temperature: 1.150000
Total energy: -832.073755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.073755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.073755 (E_RNA)
where:
Base-Base interactions energy: -576.531
where: short stacking energy: -230.657
Base-Backbone interact. energy: -0.602
local terms energy: -254.940421
where:
bonds (distance) C4'-P energy: -46.259
bonds (distance) P-C4' energy: -53.267
flat angles C4'-P-C4' energy: -47.015
flat angles P-C4'-P energy: -38.201
tors. eta vs tors. theta energy: -70.199
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: 9
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -722.446600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.446600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.446600 (E_RNA)
where:
Base-Base interactions energy: -505.648
where: short stacking energy: -214.181
Base-Backbone interact. energy: -0.895
local terms energy: -215.903215
where:
bonds (distance) C4'-P energy: -43.411
bonds (distance) P-C4' energy: -50.824
flat angles C4'-P-C4' energy: -43.951
flat angles P-C4'-P energy: -23.245
tors. eta vs tors. theta energy: -54.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -645.985693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.985693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.985693 (E_RNA)
where:
Base-Base interactions energy: -429.891
where: short stacking energy: -197.793
Base-Backbone interact. energy: -0.351
local terms energy: -215.743138
where:
bonds (distance) C4'-P energy: -38.225
bonds (distance) P-C4' energy: -41.019
flat angles C4'-P-C4' energy: -54.308
flat angles P-C4'-P energy: -37.644
tors. eta vs tors. theta energy: -44.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -583.858087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.858087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.858087 (E_RNA)
where:
Base-Base interactions energy: -395.331
where: short stacking energy: -170.628
Base-Backbone interact. energy: 0.268
local terms energy: -188.795285
where:
bonds (distance) C4'-P energy: -33.200
bonds (distance) P-C4' energy: -40.676
flat angles C4'-P-C4' energy: -44.037
flat angles P-C4'-P energy: -31.559
tors. eta vs tors. theta energy: -39.322
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: 10, replica: 7
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -506.940803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.940803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.940803 (E_RNA)
where:
Base-Base interactions energy: -326.801
where: short stacking energy: -142.066
Base-Backbone interact. energy: -0.435
local terms energy: -179.705100
where:
bonds (distance) C4'-P energy: -43.583
bonds (distance) P-C4' energy: -44.753
flat angles C4'-P-C4' energy: -41.681
flat angles P-C4'-P energy: -22.331
tors. eta vs tors. theta energy: -27.356
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: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -960.594293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.594293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.594293 (E_RNA)
where:
Base-Base interactions energy: -676.516
where: short stacking energy: -272.343
Base-Backbone interact. energy: -2.098
local terms energy: -281.980344
where:
bonds (distance) C4'-P energy: -53.137
bonds (distance) P-C4' energy: -52.364
flat angles C4'-P-C4' energy: -53.235
flat angles P-C4'-P energy: -42.058
tors. eta vs tors. theta energy: -81.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -963.291449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.291449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.291449 (E_RNA)
where:
Base-Base interactions energy: -668.805
where: short stacking energy: -270.539
Base-Backbone interact. energy: 2.172
local terms energy: -296.658085
where:
bonds (distance) C4'-P energy: -62.903
bonds (distance) P-C4' energy: -55.222
flat angles C4'-P-C4' energy: -56.771
flat angles P-C4'-P energy: -38.513
tors. eta vs tors. theta energy: -83.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -900.981767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.981767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.981767 (E_RNA)
where:
Base-Base interactions energy: -627.566
where: short stacking energy: -253.784
Base-Backbone interact. energy: -0.695
local terms energy: -272.720750
where:
bonds (distance) C4'-P energy: -53.720
bonds (distance) P-C4' energy: -54.554
flat angles C4'-P-C4' energy: -60.682
flat angles P-C4'-P energy: -34.771
tors. eta vs tors. theta energy: -68.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -874.428846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.428846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.428846 (E_RNA)
where:
Base-Base interactions energy: -602.276
where: short stacking energy: -239.638
Base-Backbone interact. energy: -1.564
local terms energy: -270.589140
where:
bonds (distance) C4'-P energy: -48.003
bonds (distance) P-C4' energy: -56.272
flat angles C4'-P-C4' energy: -61.143
flat angles P-C4'-P energy: -33.216
tors. eta vs tors. theta energy: -71.955
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: 1
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -877.897146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.897146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.897146 (E_RNA)
where:
Base-Base interactions energy: -613.538
where: short stacking energy: -256.761
Base-Backbone interact. energy: -2.361
local terms energy: -261.998721
where:
bonds (distance) C4'-P energy: -45.634
bonds (distance) P-C4' energy: -47.667
flat angles C4'-P-C4' energy: -62.698
flat angles P-C4'-P energy: -39.239
tors. eta vs tors. theta energy: -66.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -774.141438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.141438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.141438 (E_RNA)
where:
Base-Base interactions energy: -526.389
where: short stacking energy: -224.839
Base-Backbone interact. energy: -1.003
local terms energy: -246.749717
where:
bonds (distance) C4'-P energy: -45.099
bonds (distance) P-C4' energy: -54.941
flat angles C4'-P-C4' energy: -48.385
flat angles P-C4'-P energy: -35.358
tors. eta vs tors. theta energy: -62.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -699.778137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.778137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.778137 (E_RNA)
where:
Base-Base interactions energy: -473.156
where: short stacking energy: -205.206
Base-Backbone interact. energy: -0.889
local terms energy: -225.733653
where:
bonds (distance) C4'-P energy: -43.560
bonds (distance) P-C4' energy: -50.196
flat angles C4'-P-C4' energy: -51.413
flat angles P-C4'-P energy: -35.744
tors. eta vs tors. theta energy: -44.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -627.568614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.568614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.568614 (E_RNA)
where:
Base-Base interactions energy: -430.994
where: short stacking energy: -180.863
Base-Backbone interact. energy: -0.263
local terms energy: -196.311561
where:
bonds (distance) C4'-P energy: -39.663
bonds (distance) P-C4' energy: -51.199
flat angles C4'-P-C4' energy: -41.624
flat angles P-C4'-P energy: -29.089
tors. eta vs tors. theta energy: -34.737
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: 3
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -574.150155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.150155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.150155 (E_RNA)
where:
Base-Base interactions energy: -380.635
where: short stacking energy: -157.371
Base-Backbone interact. energy: -0.539
local terms energy: -192.976006
where:
bonds (distance) C4'-P energy: -34.373
bonds (distance) P-C4' energy: -47.271
flat angles C4'-P-C4' energy: -50.619
flat angles P-C4'-P energy: -24.948
tors. eta vs tors. theta energy: -35.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -501.308914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.308914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.308914 (E_RNA)
where:
Base-Base interactions energy: -328.250
where: short stacking energy: -145.573
Base-Backbone interact. energy: -1.703
local terms energy: -171.355701
where:
bonds (distance) C4'-P energy: -44.304
bonds (distance) P-C4' energy: -33.109
flat angles C4'-P-C4' energy: -44.773
flat angles P-C4'-P energy: -22.906
tors. eta vs tors. theta energy: -26.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -972.877745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.877745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.877745 (E_RNA)
where:
Base-Base interactions energy: -682.870
where: short stacking energy: -273.804
Base-Backbone interact. energy: 0.223
local terms energy: -290.230567
where:
bonds (distance) C4'-P energy: -59.340
bonds (distance) P-C4' energy: -56.309
flat angles C4'-P-C4' energy: -58.632
flat angles P-C4'-P energy: -36.270
tors. eta vs tors. theta energy: -79.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -934.698821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.698821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.698821 (E_RNA)
where:
Base-Base interactions energy: -671.477
where: short stacking energy: -287.728
Base-Backbone interact. energy: -0.157
local terms energy: -263.064819
where:
bonds (distance) C4'-P energy: -50.827
bonds (distance) P-C4' energy: -42.062
flat angles C4'-P-C4' energy: -49.476
flat angles P-C4'-P energy: -42.992
tors. eta vs tors. theta energy: -77.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -897.286649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.286649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.286649 (E_RNA)
where:
Base-Base interactions energy: -633.993
where: short stacking energy: -243.268
Base-Backbone interact. energy: -2.551
local terms energy: -260.742712
where:
bonds (distance) C4'-P energy: -55.536
bonds (distance) P-C4' energy: -44.180
flat angles C4'-P-C4' energy: -57.552
flat angles P-C4'-P energy: -36.726
tors. eta vs tors. theta energy: -66.749
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: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -840.439017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.439017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.439017 (E_RNA)
where:
Base-Base interactions energy: -568.212
where: short stacking energy: -229.380
Base-Backbone interact. energy: 0.182
local terms energy: -272.408995
where:
bonds (distance) C4'-P energy: -56.594
bonds (distance) P-C4' energy: -53.586
flat angles C4'-P-C4' energy: -56.309
flat angles P-C4'-P energy: -39.302
tors. eta vs tors. theta energy: -66.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -884.525639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.525639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.525639 (E_RNA)
where:
Base-Base interactions energy: -614.009
where: short stacking energy: -245.114
Base-Backbone interact. energy: -2.460
local terms energy: -268.056428
where:
bonds (distance) C4'-P energy: -52.131
bonds (distance) P-C4' energy: -55.470
flat angles C4'-P-C4' energy: -52.579
flat angles P-C4'-P energy: -43.775
tors. eta vs tors. theta energy: -64.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -792.335176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.335176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.335176 (E_RNA)
where:
Base-Base interactions energy: -546.466
where: short stacking energy: -222.852
Base-Backbone interact. energy: 3.568
local terms energy: -249.437185
where:
bonds (distance) C4'-P energy: -44.894
bonds (distance) P-C4' energy: -49.971
flat angles C4'-P-C4' energy: -55.638
flat angles P-C4'-P energy: -36.465
tors. eta vs tors. theta energy: -62.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -683.744297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.744297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.744297 (E_RNA)
where:
Base-Base interactions energy: -473.542
where: short stacking energy: -207.343
Base-Backbone interact. energy: -1.041
local terms energy: -209.160654
where:
bonds (distance) C4'-P energy: -37.604
bonds (distance) P-C4' energy: -42.742
flat angles C4'-P-C4' energy: -43.667
flat angles P-C4'-P energy: -37.568
tors. eta vs tors. theta energy: -47.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -656.594813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.594813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.594813 (E_RNA)
where:
Base-Base interactions energy: -446.395
where: short stacking energy: -203.792
Base-Backbone interact. energy: -0.225
local terms energy: -209.974198
where:
bonds (distance) C4'-P energy: -35.062
bonds (distance) P-C4' energy: -43.430
flat angles C4'-P-C4' energy: -49.855
flat angles P-C4'-P energy: -32.462
tors. eta vs tors. theta energy: -49.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -579.044894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.044894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.044894 (E_RNA)
where:
Base-Base interactions energy: -382.734
where: short stacking energy: -167.335
Base-Backbone interact. energy: -0.933
local terms energy: -195.377588
where:
bonds (distance) C4'-P energy: -37.302
bonds (distance) P-C4' energy: -49.781
flat angles C4'-P-C4' energy: -53.627
flat angles P-C4'-P energy: -28.002
tors. eta vs tors. theta energy: -26.667
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: 7
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -467.319530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.319530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.319530 (E_RNA)
where:
Base-Base interactions energy: -302.506
where: short stacking energy: -131.857
Base-Backbone interact. energy: -1.594
local terms energy: -163.219635
where:
bonds (distance) C4'-P energy: -32.094
bonds (distance) P-C4' energy: -48.915
flat angles C4'-P-C4' energy: -43.958
flat angles P-C4'-P energy: -27.997
tors. eta vs tors. theta energy: -10.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -975.686406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.686406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.686406 (E_RNA)
where:
Base-Base interactions energy: -681.469
where: short stacking energy: -277.656
Base-Backbone interact. energy: 1.195
local terms energy: -295.412053
where:
bonds (distance) C4'-P energy: -58.668
bonds (distance) P-C4' energy: -53.942
flat angles C4'-P-C4' energy: -59.036
flat angles P-C4'-P energy: -45.983
tors. eta vs tors. theta energy: -77.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -947.937650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.937650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.937650 (E_RNA)
where:
Base-Base interactions energy: -667.153
where: short stacking energy: -268.537
Base-Backbone interact. energy: 1.230
local terms energy: -282.014844
where:
bonds (distance) C4'-P energy: -66.123
bonds (distance) P-C4' energy: -48.234
flat angles C4'-P-C4' energy: -57.693
flat angles P-C4'-P energy: -36.672
tors. eta vs tors. theta energy: -73.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -939.500423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.500423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.500423 (E_RNA)
where:
Base-Base interactions energy: -655.961
where: short stacking energy: -265.908
Base-Backbone interact. energy: -0.809
local terms energy: -282.729971
where:
bonds (distance) C4'-P energy: -48.462
bonds (distance) P-C4' energy: -54.857
flat angles C4'-P-C4' energy: -60.164
flat angles P-C4'-P energy: -41.242
tors. eta vs tors. theta energy: -78.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -873.120516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.120516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.120516 (E_RNA)
where:
Base-Base interactions energy: -625.837
where: short stacking energy: -249.323
Base-Backbone interact. energy: -1.705
local terms energy: -245.578749
where:
bonds (distance) C4'-P energy: -50.011
bonds (distance) P-C4' energy: -37.302
flat angles C4'-P-C4' energy: -58.191
flat angles P-C4'-P energy: -31.518
tors. eta vs tors. theta energy: -68.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -836.133338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.133338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.133338 (E_RNA)
where:
Base-Base interactions energy: -573.769
where: short stacking energy: -239.054
Base-Backbone interact. energy: -1.479
local terms energy: -260.885639
where:
bonds (distance) C4'-P energy: -56.918
bonds (distance) P-C4' energy: -41.557
flat angles C4'-P-C4' energy: -55.356
flat angles P-C4'-P energy: -36.555
tors. eta vs tors. theta energy: -70.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -792.181062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.181062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.181062 (E_RNA)
where:
Base-Base interactions energy: -538.721
where: short stacking energy: -215.141
Base-Backbone interact. energy: 0.697
local terms energy: -254.156534
where:
bonds (distance) C4'-P energy: -47.843
bonds (distance) P-C4' energy: -53.621
flat angles C4'-P-C4' energy: -58.674
flat angles P-C4'-P energy: -32.309
tors. eta vs tors. theta energy: -61.709
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: 9
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -695.228390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.228390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.228390 (E_RNA)
where:
Base-Base interactions energy: -491.145
where: short stacking energy: -195.739
Base-Backbone interact. energy: -0.349
local terms energy: -203.734519
where:
bonds (distance) C4'-P energy: -35.112
bonds (distance) P-C4' energy: -47.054
flat angles C4'-P-C4' energy: -49.732
flat angles P-C4'-P energy: -24.349
tors. eta vs tors. theta energy: -47.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -659.939670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.939670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.939670 (E_RNA)
where:
Base-Base interactions energy: -437.717
where: short stacking energy: -192.161
Base-Backbone interact. energy: -0.621
local terms energy: -221.601292
where:
bonds (distance) C4'-P energy: -42.025
bonds (distance) P-C4' energy: -46.933
flat angles C4'-P-C4' energy: -51.427
flat angles P-C4'-P energy: -40.025
tors. eta vs tors. theta energy: -41.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -528.211283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.211283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.211283 (E_RNA)
where:
Base-Base interactions energy: -343.996
where: short stacking energy: -137.316
Base-Backbone interact. energy: -0.117
local terms energy: -184.097698
where:
bonds (distance) C4'-P energy: -54.635
bonds (distance) P-C4' energy: -46.430
flat angles C4'-P-C4' energy: -42.943
flat angles P-C4'-P energy: -21.995
tors. eta vs tors. theta energy: -18.095
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: 7
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -519.646882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.646882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.646882 (E_RNA)
where:
Base-Base interactions energy: -328.895
where: short stacking energy: -125.699
Base-Backbone interact. energy: -0.862
local terms energy: -189.890071
where:
bonds (distance) C4'-P energy: -47.514
bonds (distance) P-C4' energy: -43.016
flat angles C4'-P-C4' energy: -48.097
flat angles P-C4'-P energy: -25.584
tors. eta vs tors. theta energy: -25.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -977.130330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.130330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.130330 (E_RNA)
where:
Base-Base interactions energy: -687.522
where: short stacking energy: -287.328
Base-Backbone interact. energy: -2.644
local terms energy: -286.964940
where:
bonds (distance) C4'-P energy: -49.630
bonds (distance) P-C4' energy: -51.506
flat angles C4'-P-C4' energy: -62.601
flat angles P-C4'-P energy: -41.578
tors. eta vs tors. theta energy: -81.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -955.025265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.025265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.025265 (E_RNA)
where:
Base-Base interactions energy: -673.708
where: short stacking energy: -285.183
Base-Backbone interact. energy: -1.336
local terms energy: -279.981232
where:
bonds (distance) C4'-P energy: -50.879
bonds (distance) P-C4' energy: -53.004
flat angles C4'-P-C4' energy: -61.078
flat angles P-C4'-P energy: -34.248
tors. eta vs tors. theta energy: -80.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -912.093812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.093812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.093812 (E_RNA)
where:
Base-Base interactions energy: -634.594
where: short stacking energy: -248.163
Base-Backbone interact. energy: 1.560
local terms energy: -279.058948
where:
bonds (distance) C4'-P energy: -48.100
bonds (distance) P-C4' energy: -57.433
flat angles C4'-P-C4' energy: -53.097
flat angles P-C4'-P energy: -46.552
tors. eta vs tors. theta energy: -73.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -879.745808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.745808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.745808 (E_RNA)
where:
Base-Base interactions energy: -614.856
where: short stacking energy: -227.655
Base-Backbone interact. energy: -1.437
local terms energy: -263.452970
where:
bonds (distance) C4'-P energy: -47.420
bonds (distance) P-C4' energy: -43.358
flat angles C4'-P-C4' energy: -63.463
flat angles P-C4'-P energy: -42.785
tors. eta vs tors. theta energy: -66.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -805.478578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.478578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.478578 (E_RNA)
where:
Base-Base interactions energy: -563.439
where: short stacking energy: -224.831
Base-Backbone interact. energy: 1.981
local terms energy: -244.020955
where:
bonds (distance) C4'-P energy: -49.092
bonds (distance) P-C4' energy: -58.099
flat angles C4'-P-C4' energy: -52.075
flat angles P-C4'-P energy: -26.676
tors. eta vs tors. theta energy: -58.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -797.397740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.397740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.397740 (E_RNA)
where:
Base-Base interactions energy: -546.130
where: short stacking energy: -219.909
Base-Backbone interact. energy: -1.992
local terms energy: -249.276363
where:
bonds (distance) C4'-P energy: -41.555
bonds (distance) P-C4' energy: -49.924
flat angles C4'-P-C4' energy: -57.253
flat angles P-C4'-P energy: -40.093
tors. eta vs tors. theta energy: -60.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -702.455280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.455280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.455280 (E_RNA)
where:
Base-Base interactions energy: -488.166
where: short stacking energy: -202.895
Base-Backbone interact. energy: -0.342
local terms energy: -213.947410
where:
bonds (distance) C4'-P energy: -38.040
bonds (distance) P-C4' energy: -41.976
flat angles C4'-P-C4' energy: -53.316
flat angles P-C4'-P energy: -32.624
tors. eta vs tors. theta energy: -47.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -636.025019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.025019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.025019 (E_RNA)
where:
Base-Base interactions energy: -431.547
where: short stacking energy: -168.215
Base-Backbone interact. energy: -3.952
local terms energy: -200.525766
where:
bonds (distance) C4'-P energy: -40.523
bonds (distance) P-C4' energy: -33.565
flat angles C4'-P-C4' energy: -49.160
flat angles P-C4'-P energy: -39.533
tors. eta vs tors. theta energy: -37.744
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: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -548.059345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.059345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.059345 (E_RNA)
where:
Base-Base interactions energy: -355.301
where: short stacking energy: -158.348
Base-Backbone interact. energy: -1.485
local terms energy: -191.274028
where:
bonds (distance) C4'-P energy: -44.596
bonds (distance) P-C4' energy: -42.954
flat angles C4'-P-C4' energy: -51.571
flat angles P-C4'-P energy: -22.784
tors. eta vs tors. theta energy: -29.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -454.098540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.098540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.098540 (E_RNA)
where:
Base-Base interactions energy: -289.669
where: short stacking energy: -109.693
Base-Backbone interact. energy: 0.619
local terms energy: -165.048510
where:
bonds (distance) C4'-P energy: -28.403
bonds (distance) P-C4' energy: -49.215
flat angles C4'-P-C4' energy: -45.257
flat angles P-C4'-P energy: -33.273
tors. eta vs tors. theta energy: -8.900
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: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -979.058323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.058323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.058323 (E_RNA)
where:
Base-Base interactions energy: -682.383
where: short stacking energy: -279.731
Base-Backbone interact. energy: -1.548
local terms energy: -295.127165
where:
bonds (distance) C4'-P energy: -56.105
bonds (distance) P-C4' energy: -55.199
flat angles C4'-P-C4' energy: -58.043
flat angles P-C4'-P energy: -47.600
tors. eta vs tors. theta energy: -78.180
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: 5
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -956.384759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.384759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.384759 (E_RNA)
where:
Base-Base interactions energy: -669.830
where: short stacking energy: -275.664
Base-Backbone interact. energy: -0.715
local terms energy: -285.839629
where:
bonds (distance) C4'-P energy: -51.308
bonds (distance) P-C4' energy: -51.707
flat angles C4'-P-C4' energy: -61.161
flat angles P-C4'-P energy: -42.671
tors. eta vs tors. theta energy: -78.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -924.156667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.156667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.156667 (E_RNA)
where:
Base-Base interactions energy: -636.438
where: short stacking energy: -274.406
Base-Backbone interact. energy: -2.086
local terms energy: -285.632498
where:
bonds (distance) C4'-P energy: -43.715
bonds (distance) P-C4' energy: -59.476
flat angles C4'-P-C4' energy: -64.493
flat angles P-C4'-P energy: -42.155
tors. eta vs tors. theta energy: -75.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -852.309268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.309268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.309268 (E_RNA)
where:
Base-Base interactions energy: -592.307
where: short stacking energy: -221.875
Base-Backbone interact. energy: -0.462
local terms energy: -259.540465
where:
bonds (distance) C4'-P energy: -51.439
bonds (distance) P-C4' energy: -43.805
flat angles C4'-P-C4' energy: -64.071
flat angles P-C4'-P energy: -34.432
tors. eta vs tors. theta energy: -65.794
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: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -874.873133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.873133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.873133 (E_RNA)
where:
Base-Base interactions energy: -612.977
where: short stacking energy: -247.679
Base-Backbone interact. energy: -1.472
local terms energy: -260.423734
where:
bonds (distance) C4'-P energy: -53.893
bonds (distance) P-C4' energy: -45.472
flat angles C4'-P-C4' energy: -48.894
flat angles P-C4'-P energy: -43.234
tors. eta vs tors. theta energy: -68.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -784.824191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.824191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.824191 (E_RNA)
where:
Base-Base interactions energy: -554.404
where: short stacking energy: -205.300
Base-Backbone interact. energy: 1.429
local terms energy: -231.849610
where:
bonds (distance) C4'-P energy: -46.080
bonds (distance) P-C4' energy: -53.726
flat angles C4'-P-C4' energy: -41.293
flat angles P-C4'-P energy: -28.834
tors. eta vs tors. theta energy: -61.916
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: 9
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -670.197269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.197269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.197269 (E_RNA)
where:
Base-Base interactions energy: -455.955
where: short stacking energy: -201.288
Base-Backbone interact. energy: 0.075
local terms energy: -214.316888
where:
bonds (distance) C4'-P energy: -40.228
bonds (distance) P-C4' energy: -41.077
flat angles C4'-P-C4' energy: -56.321
flat angles P-C4'-P energy: -32.985
tors. eta vs tors. theta energy: -43.706
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: 469
Temperature: 1.250000
Total energy: -639.724503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.724503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.724503 (E_RNA)
where:
Base-Base interactions energy: -425.262
where: short stacking energy: -158.452
Base-Backbone interact. energy: -2.563
local terms energy: -211.898708
where:
bonds (distance) C4'-P energy: -38.748
bonds (distance) P-C4' energy: -48.351
flat angles C4'-P-C4' energy: -52.583
flat angles P-C4'-P energy: -32.760
tors. eta vs tors. theta energy: -39.457
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: 469
Temperature: 1.300000
Total energy: -591.701249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.701249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.701249 (E_RNA)
where:
Base-Base interactions energy: -401.771
where: short stacking energy: -166.168
Base-Backbone interact. energy: 0.900
local terms energy: -190.829953
where:
bonds (distance) C4'-P energy: -35.268
bonds (distance) P-C4' energy: -45.222
flat angles C4'-P-C4' energy: -42.270
flat angles P-C4'-P energy: -29.485
tors. eta vs tors. theta energy: -38.584
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: 3
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -475.202220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.202220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.202220 (E_RNA)
where:
Base-Base interactions energy: -286.186
where: short stacking energy: -142.626
Base-Backbone interact. energy: -1.220
local terms energy: -187.796018
where:
bonds (distance) C4'-P energy: -43.977
bonds (distance) P-C4' energy: -45.628
flat angles C4'-P-C4' energy: -48.514
flat angles P-C4'-P energy: -28.183
tors. eta vs tors. theta energy: -21.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -975.967142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.967142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.967142 (E_RNA)
where:
Base-Base interactions energy: -691.845
where: short stacking energy: -268.551
Base-Backbone interact. energy: -3.136
local terms energy: -280.986715
where:
bonds (distance) C4'-P energy: -51.654
bonds (distance) P-C4' energy: -54.026
flat angles C4'-P-C4' energy: -60.754
flat angles P-C4'-P energy: -38.126
tors. eta vs tors. theta energy: -76.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -962.924934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.924934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.924934 (E_RNA)
where:
Base-Base interactions energy: -691.369
where: short stacking energy: -294.062
Base-Backbone interact. energy: 0.104
local terms energy: -271.660619
where:
bonds (distance) C4'-P energy: -41.285
bonds (distance) P-C4' energy: -52.574
flat angles C4'-P-C4' energy: -58.589
flat angles P-C4'-P energy: -39.127
tors. eta vs tors. theta energy: -80.086
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: 10
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -907.285380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.285380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.285380 (E_RNA)
where:
Base-Base interactions energy: -635.671
where: short stacking energy: -280.547
Base-Backbone interact. energy: -0.694
local terms energy: -270.921017
where:
bonds (distance) C4'-P energy: -43.225
bonds (distance) P-C4' energy: -50.064
flat angles C4'-P-C4' energy: -60.635
flat angles P-C4'-P energy: -38.577
tors. eta vs tors. theta energy: -78.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -866.300953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.300953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.300953 (E_RNA)
where:
Base-Base interactions energy: -584.048
where: short stacking energy: -245.068
Base-Backbone interact. energy: -2.925
local terms energy: -279.327584
where:
bonds (distance) C4'-P energy: -51.930
bonds (distance) P-C4' energy: -58.446
flat angles C4'-P-C4' energy: -57.209
flat angles P-C4'-P energy: -41.272
tors. eta vs tors. theta energy: -70.471
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: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -840.071467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.071467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.071467 (E_RNA)
where:
Base-Base interactions energy: -586.710
where: short stacking energy: -234.143
Base-Backbone interact. energy: -1.812
local terms energy: -251.549330
where:
bonds (distance) C4'-P energy: -47.289
bonds (distance) P-C4' energy: -59.627
flat angles C4'-P-C4' energy: -42.523
flat angles P-C4'-P energy: -35.088
tors. eta vs tors. theta energy: -67.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -766.238024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.238024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.238024 (E_RNA)
where:
Base-Base interactions energy: -518.128
where: short stacking energy: -211.595
Base-Backbone interact. energy: -1.096
local terms energy: -247.014068
where:
bonds (distance) C4'-P energy: -52.502
bonds (distance) P-C4' energy: -38.799
flat angles C4'-P-C4' energy: -50.192
flat angles P-C4'-P energy: -44.434
tors. eta vs tors. theta energy: -61.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -669.174073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.174073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.174073 (E_RNA)
where:
Base-Base interactions energy: -446.563
where: short stacking energy: -188.155
Base-Backbone interact. energy: 2.246
local terms energy: -224.856879
where:
bonds (distance) C4'-P energy: -32.844
bonds (distance) P-C4' energy: -47.775
flat angles C4'-P-C4' energy: -55.448
flat angles P-C4'-P energy: -36.827
tors. eta vs tors. theta energy: -51.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -672.932683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.932683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.932683 (E_RNA)
where:
Base-Base interactions energy: -437.934
where: short stacking energy: -197.279
Base-Backbone interact. energy: -1.694
local terms energy: -233.304221
where:
bonds (distance) C4'-P energy: -52.230
bonds (distance) P-C4' energy: -50.220
flat angles C4'-P-C4' energy: -49.773
flat angles P-C4'-P energy: -32.797
tors. eta vs tors. theta energy: -48.284
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: 7
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -563.976556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.976556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.976556 (E_RNA)
where:
Base-Base interactions energy: -365.198
where: short stacking energy: -166.380
Base-Backbone interact. energy: -1.152
local terms energy: -197.626792
where:
bonds (distance) C4'-P energy: -35.374
bonds (distance) P-C4' energy: -52.078
flat angles C4'-P-C4' energy: -39.443
flat angles P-C4'-P energy: -34.636
tors. eta vs tors. theta energy: -36.096
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: 3
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -463.214943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.214943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.214943 (E_RNA)
where:
Base-Base interactions energy: -285.368
where: short stacking energy: -125.174
Base-Backbone interact. energy: -1.015
local terms energy: -176.832307
where:
bonds (distance) C4'-P energy: -40.815
bonds (distance) P-C4' energy: -39.094
flat angles C4'-P-C4' energy: -45.199
flat angles P-C4'-P energy: -27.396
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: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -971.706241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.706241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.706241 (E_RNA)
where:
Base-Base interactions energy: -683.456
where: short stacking energy: -277.873
Base-Backbone interact. energy: -1.346
local terms energy: -286.904761
where:
bonds (distance) C4'-P energy: -51.681
bonds (distance) P-C4' energy: -56.155
flat angles C4'-P-C4' energy: -64.919
flat angles P-C4'-P energy: -36.399
tors. eta vs tors. theta energy: -77.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -958.071034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.071034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.071034 (E_RNA)
where:
Base-Base interactions energy: -676.629
where: short stacking energy: -271.520
Base-Backbone interact. energy: 0.124
local terms energy: -281.565383
where:
bonds (distance) C4'-P energy: -48.355
bonds (distance) P-C4' energy: -55.830
flat angles C4'-P-C4' energy: -58.914
flat angles P-C4'-P energy: -36.718
tors. eta vs tors. theta energy: -81.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -897.509316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.509316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.509316 (E_RNA)
where:
Base-Base interactions energy: -618.480
where: short stacking energy: -245.191
Base-Backbone interact. energy: 2.245
local terms energy: -281.274894
where:
bonds (distance) C4'-P energy: -55.495
bonds (distance) P-C4' energy: -59.055
flat angles C4'-P-C4' energy: -56.319
flat angles P-C4'-P energy: -42.463
tors. eta vs tors. theta energy: -67.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -866.844218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.844218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.844218 (E_RNA)
where:
Base-Base interactions energy: -607.067
where: short stacking energy: -247.091
Base-Backbone interact. energy: -0.279
local terms energy: -259.498423
where:
bonds (distance) C4'-P energy: -61.078
bonds (distance) P-C4' energy: -42.794
flat angles C4'-P-C4' energy: -57.915
flat angles P-C4'-P energy: -38.196
tors. eta vs tors. theta energy: -59.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -848.475567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.475567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.475567 (E_RNA)
where:
Base-Base interactions energy: -587.484
where: short stacking energy: -247.225
Base-Backbone interact. energy: -0.007
local terms energy: -260.984399
where:
bonds (distance) C4'-P energy: -30.541
bonds (distance) P-C4' energy: -59.483
flat angles C4'-P-C4' energy: -64.016
flat angles P-C4'-P energy: -37.728
tors. eta vs tors. theta energy: -69.216
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: 6, replica: 6
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -792.808855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.808855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.808855 (E_RNA)
where:
Base-Base interactions energy: -545.807
where: short stacking energy: -227.990
Base-Backbone interact. energy: -1.858
local terms energy: -245.143905
where:
bonds (distance) C4'-P energy: -47.852
bonds (distance) P-C4' energy: -41.612
flat angles C4'-P-C4' energy: -53.171
flat angles P-C4'-P energy: -36.709
tors. eta vs tors. theta energy: -65.800
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: 9
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -634.263337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.263337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.263337 (E_RNA)
where:
Base-Base interactions energy: -445.706
where: short stacking energy: -196.875
Base-Backbone interact. energy: 0.651
local terms energy: -189.207971
where:
bonds (distance) C4'-P energy: -41.451
bonds (distance) P-C4' energy: -49.500
flat angles C4'-P-C4' energy: -41.285
flat angles P-C4'-P energy: -22.588
tors. eta vs tors. theta energy: -34.382
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: 471
Temperature: 1.250000
Total energy: -596.670565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.670565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.670565 (E_RNA)
where:
Base-Base interactions energy: -374.344
where: short stacking energy: -168.990
Base-Backbone interact. energy: -0.132
local terms energy: -222.194213
where:
bonds (distance) C4'-P energy: -48.893
bonds (distance) P-C4' energy: -54.053
flat angles C4'-P-C4' energy: -42.588
flat angles P-C4'-P energy: -34.143
tors. eta vs tors. theta energy: -42.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -578.021949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.021949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.021949 (E_RNA)
where:
Base-Base interactions energy: -366.932
where: short stacking energy: -155.641
Base-Backbone interact. energy: -0.840
local terms energy: -210.250175
where:
bonds (distance) C4'-P energy: -43.202
bonds (distance) P-C4' energy: -42.373
flat angles C4'-P-C4' energy: -50.156
flat angles P-C4'-P energy: -34.344
tors. eta vs tors. theta energy: -40.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -451.154999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.154999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.154999 (E_RNA)
where:
Base-Base interactions energy: -279.548
where: short stacking energy: -135.340
Base-Backbone interact. energy: 1.756
local terms energy: -173.362314
where:
bonds (distance) C4'-P energy: -37.413
bonds (distance) P-C4' energy: -36.883
flat angles C4'-P-C4' energy: -39.949
flat angles P-C4'-P energy: -37.920
tors. eta vs tors. theta energy: -21.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -978.516918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.516918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.516918 (E_RNA)
where:
Base-Base interactions energy: -687.505
where: short stacking energy: -276.961
Base-Backbone interact. energy: -1.307
local terms energy: -289.704998
where:
bonds (distance) C4'-P energy: -51.077
bonds (distance) P-C4' energy: -53.336
flat angles C4'-P-C4' energy: -65.074
flat angles P-C4'-P energy: -40.129
tors. eta vs tors. theta energy: -80.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -945.040395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.040395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.040395 (E_RNA)
where:
Base-Base interactions energy: -663.867
where: short stacking energy: -268.626
Base-Backbone interact. energy: -0.497
local terms energy: -280.675899
where:
bonds (distance) C4'-P energy: -52.393
bonds (distance) P-C4' energy: -54.873
flat angles C4'-P-C4' energy: -61.527
flat angles P-C4'-P energy: -41.804
tors. eta vs tors. theta energy: -70.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -891.015794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.015794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.015794 (E_RNA)
where:
Base-Base interactions energy: -631.701
where: short stacking energy: -249.789
Base-Backbone interact. energy: -0.164
local terms energy: -259.150943
where:
bonds (distance) C4'-P energy: -45.121
bonds (distance) P-C4' energy: -51.020
flat angles C4'-P-C4' energy: -52.891
flat angles P-C4'-P energy: -38.929
tors. eta vs tors. theta energy: -71.189
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: 4, replica: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -882.883348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.883348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.883348 (E_RNA)
where:
Base-Base interactions energy: -636.437
where: short stacking energy: -250.925
Base-Backbone interact. energy: 1.872
local terms energy: -248.318090
where:
bonds (distance) C4'-P energy: -44.273
bonds (distance) P-C4' energy: -47.718
flat angles C4'-P-C4' energy: -52.526
flat angles P-C4'-P energy: -33.323
tors. eta vs tors. theta energy: -70.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -842.396158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.396158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.396158 (E_RNA)
where:
Base-Base interactions energy: -594.706
where: short stacking energy: -228.869
Base-Backbone interact. energy: -0.904
local terms energy: -246.786001
where:
bonds (distance) C4'-P energy: -51.117
bonds (distance) P-C4' energy: -47.432
flat angles C4'-P-C4' energy: -53.644
flat angles P-C4'-P energy: -33.253
tors. eta vs tors. theta energy: -61.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -800.634795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.634795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.634795 (E_RNA)
where:
Base-Base interactions energy: -562.808
where: short stacking energy: -234.752
Base-Backbone interact. energy: -0.268
local terms energy: -237.558920
where:
bonds (distance) C4'-P energy: -44.936
bonds (distance) P-C4' energy: -43.296
flat angles C4'-P-C4' energy: -51.375
flat angles P-C4'-P energy: -35.577
tors. eta vs tors. theta energy: -62.374
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: 7, replica: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -678.614519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.614519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.614519 (E_RNA)
where:
Base-Base interactions energy: -452.652
where: short stacking energy: -194.548
Base-Backbone interact. energy: -0.311
local terms energy: -225.651686
where:
bonds (distance) C4'-P energy: -40.202
bonds (distance) P-C4' energy: -55.764
flat angles C4'-P-C4' energy: -54.416
flat angles P-C4'-P energy: -30.392
tors. eta vs tors. theta energy: -44.877
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: 8, replica: 7
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -588.479939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.479939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.479939 (E_RNA)
where:
Base-Base interactions energy: -370.919
where: short stacking energy: -170.784
Base-Backbone interact. energy: -1.037
local terms energy: -216.523277
where:
bonds (distance) C4'-P energy: -41.688
bonds (distance) P-C4' energy: -55.311
flat angles C4'-P-C4' energy: -47.885
flat angles P-C4'-P energy: -33.652
tors. eta vs tors. theta energy: -37.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -561.900289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.900289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.900289 (E_RNA)
where:
Base-Base interactions energy: -373.962
where: short stacking energy: -175.553
Base-Backbone interact. energy: -0.382
local terms energy: -187.556270
where:
bonds (distance) C4'-P energy: -32.581
bonds (distance) P-C4' energy: -41.826
flat angles C4'-P-C4' energy: -47.207
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -40.747
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: 3
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -456.171254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.171254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.171254 (E_RNA)
where:
Base-Base interactions energy: -266.097
where: short stacking energy: -127.023
Base-Backbone interact. energy: 2.259
local terms energy: -192.332807
where:
bonds (distance) C4'-P energy: -42.692
bonds (distance) P-C4' energy: -55.580
flat angles C4'-P-C4' energy: -48.393
flat angles P-C4'-P energy: -23.818
tors. eta vs tors. theta energy: -21.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -985.896345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.896345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.896345 (E_RNA)
where:
Base-Base interactions energy: -699.542
where: short stacking energy: -281.407
Base-Backbone interact. energy: -0.672
local terms energy: -285.681737
where:
bonds (distance) C4'-P energy: -49.066
bonds (distance) P-C4' energy: -56.516
flat angles C4'-P-C4' energy: -61.782
flat angles P-C4'-P energy: -37.961
tors. eta vs tors. theta energy: -80.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -922.418619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.418619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.418619 (E_RNA)
where:
Base-Base interactions energy: -633.141
where: short stacking energy: -263.828
Base-Backbone interact. energy: 1.894
local terms energy: -291.172083
where:
bonds (distance) C4'-P energy: -55.542
bonds (distance) P-C4' energy: -50.928
flat angles C4'-P-C4' energy: -59.910
flat angles P-C4'-P energy: -44.820
tors. eta vs tors. theta energy: -79.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -935.507100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.507100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.507100 (E_RNA)
where:
Base-Base interactions energy: -645.205
where: short stacking energy: -256.682
Base-Backbone interact. energy: 2.100
local terms energy: -292.402299
where:
bonds (distance) C4'-P energy: -47.343
bonds (distance) P-C4' energy: -61.189
flat angles C4'-P-C4' energy: -66.256
flat angles P-C4'-P energy: -39.636
tors. eta vs tors. theta energy: -77.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -886.143637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.143637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.143637 (E_RNA)
where:
Base-Base interactions energy: -632.816
where: short stacking energy: -259.219
Base-Backbone interact. energy: -0.741
local terms energy: -252.586652
where:
bonds (distance) C4'-P energy: -44.948
bonds (distance) P-C4' energy: -52.612
flat angles C4'-P-C4' energy: -59.141
flat angles P-C4'-P energy: -33.669
tors. eta vs tors. theta energy: -62.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -815.183346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.183346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.183346 (E_RNA)
where:
Base-Base interactions energy: -551.037
where: short stacking energy: -221.162
Base-Backbone interact. energy: -3.180
local terms energy: -260.966723
where:
bonds (distance) C4'-P energy: -54.016
bonds (distance) P-C4' energy: -52.993
flat angles C4'-P-C4' energy: -56.490
flat angles P-C4'-P energy: -38.592
tors. eta vs tors. theta energy: -58.877
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: 473
Temperature: 1.150000
Total energy: -781.791992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.791992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.791992 (E_RNA)
where:
Base-Base interactions energy: -547.844
where: short stacking energy: -233.758
Base-Backbone interact. energy: -1.436
local terms energy: -232.511808
where:
bonds (distance) C4'-P energy: -44.657
bonds (distance) P-C4' energy: -34.547
flat angles C4'-P-C4' energy: -47.616
flat angles P-C4'-P energy: -39.662
tors. eta vs tors. theta energy: -66.029
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: 7, replica: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -656.711934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.711934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.711934 (E_RNA)
where:
Base-Base interactions energy: -445.118
where: short stacking energy: -174.756
Base-Backbone interact. energy: -0.997
local terms energy: -210.596748
where:
bonds (distance) C4'-P energy: -43.984
bonds (distance) P-C4' energy: -40.816
flat angles C4'-P-C4' energy: -43.326
flat angles P-C4'-P energy: -39.423
tors. eta vs tors. theta energy: -43.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -570.196389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.196389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.196389 (E_RNA)
where:
Base-Base interactions energy: -369.812
where: short stacking energy: -164.039
Base-Backbone interact. energy: -0.692
local terms energy: -199.692875
where:
bonds (distance) C4'-P energy: -42.013
bonds (distance) P-C4' energy: -37.181
flat angles C4'-P-C4' energy: -46.563
flat angles P-C4'-P energy: -29.925
tors. eta vs tors. theta energy: -44.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -536.846910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.846910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.846910 (E_RNA)
where:
Base-Base interactions energy: -357.334
where: short stacking energy: -162.072
Base-Backbone interact. energy: 1.312
local terms energy: -180.825427
where:
bonds (distance) C4'-P energy: -38.788
bonds (distance) P-C4' energy: -45.133
flat angles C4'-P-C4' energy: -44.512
flat angles P-C4'-P energy: -24.088
tors. eta vs tors. theta energy: -28.305
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: 3
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -502.215444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.215444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.215444 (E_RNA)
where:
Base-Base interactions energy: -317.535
where: short stacking energy: -163.323
Base-Backbone interact. energy: 0.252
local terms energy: -184.933391
where:
bonds (distance) C4'-P energy: -46.929
bonds (distance) P-C4' energy: -41.392
flat angles C4'-P-C4' energy: -40.939
flat angles P-C4'-P energy: -23.786
tors. eta vs tors. theta energy: -31.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -993.210055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.210055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.210055 (E_RNA)
where:
Base-Base interactions energy: -698.851
where: short stacking energy: -279.932
Base-Backbone interact. energy: -0.820
local terms energy: -293.539416
where:
bonds (distance) C4'-P energy: -58.749
bonds (distance) P-C4' energy: -55.131
flat angles C4'-P-C4' energy: -59.924
flat angles P-C4'-P energy: -36.014
tors. eta vs tors. theta energy: -83.722
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: 2, replica: 10
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -926.846588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.846588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.846588 (E_RNA)
where:
Base-Base interactions energy: -640.175
where: short stacking energy: -270.589
Base-Backbone interact. energy: -0.367
local terms energy: -286.305130
where:
bonds (distance) C4'-P energy: -55.687
bonds (distance) P-C4' energy: -50.054
flat angles C4'-P-C4' energy: -54.515
flat angles P-C4'-P energy: -46.860
tors. eta vs tors. theta energy: -79.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -937.644561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.644561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.644561 (E_RNA)
where:
Base-Base interactions energy: -653.532
where: short stacking energy: -261.162
Base-Backbone interact. energy: 1.271
local terms energy: -285.384017
where:
bonds (distance) C4'-P energy: -53.365
bonds (distance) P-C4' energy: -49.471
flat angles C4'-P-C4' energy: -61.529
flat angles P-C4'-P energy: -44.849
tors. eta vs tors. theta energy: -76.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -888.997786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.997786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.997786 (E_RNA)
where:
Base-Base interactions energy: -634.194
where: short stacking energy: -261.964
Base-Backbone interact. energy: -0.432
local terms energy: -254.371912
where:
bonds (distance) C4'-P energy: -45.413
bonds (distance) P-C4' energy: -51.200
flat angles C4'-P-C4' energy: -57.091
flat angles P-C4'-P energy: -35.975
tors. eta vs tors. theta energy: -64.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -825.955767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.955767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.955767 (E_RNA)
where:
Base-Base interactions energy: -572.476
where: short stacking energy: -247.055
Base-Backbone interact. energy: -0.493
local terms energy: -252.986440
where:
bonds (distance) C4'-P energy: -44.250
bonds (distance) P-C4' energy: -54.175
flat angles C4'-P-C4' energy: -58.187
flat angles P-C4'-P energy: -29.214
tors. eta vs tors. theta energy: -67.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -790.740676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.740676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.740676 (E_RNA)
where:
Base-Base interactions energy: -565.859
where: short stacking energy: -223.918
Base-Backbone interact. energy: 0.529
local terms energy: -225.410582
where:
bonds (distance) C4'-P energy: -41.717
bonds (distance) P-C4' energy: -46.734
flat angles C4'-P-C4' energy: -50.091
flat angles P-C4'-P energy: -32.334
tors. eta vs tors. theta energy: -54.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -671.463480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.463480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.463480 (E_RNA)
where:
Base-Base interactions energy: -434.064
where: short stacking energy: -192.339
Base-Backbone interact. energy: -0.840
local terms energy: -236.558649
where:
bonds (distance) C4'-P energy: -46.969
bonds (distance) P-C4' energy: -54.888
flat angles C4'-P-C4' energy: -50.042
flat angles P-C4'-P energy: -39.043
tors. eta vs tors. theta energy: -45.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -597.732403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.732403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.732403 (E_RNA)
where:
Base-Base interactions energy: -393.130
where: short stacking energy: -167.984
Base-Backbone interact. energy: 0.305
local terms energy: -204.907703
where:
bonds (distance) C4'-P energy: -37.935
bonds (distance) P-C4' energy: -51.464
flat angles C4'-P-C4' energy: -44.024
flat angles P-C4'-P energy: -34.425
tors. eta vs tors. theta energy: -37.060
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: 9, replica: 3
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -531.172315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.172315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.172315 (E_RNA)
where:
Base-Base interactions energy: -340.690
where: short stacking energy: -160.243
Base-Backbone interact. energy: -0.261
local terms energy: -190.220790
where:
bonds (distance) C4'-P energy: -31.728
bonds (distance) P-C4' energy: -43.974
flat angles C4'-P-C4' energy: -42.627
flat angles P-C4'-P energy: -32.329
tors. eta vs tors. theta energy: -39.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -508.448212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.448212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.448212 (E_RNA)
where:
Base-Base interactions energy: -334.078
where: short stacking energy: -137.324
Base-Backbone interact. energy: -2.012
local terms energy: -172.358094
where:
bonds (distance) C4'-P energy: -33.423
bonds (distance) P-C4' energy: -47.460
flat angles C4'-P-C4' energy: -44.829
flat angles P-C4'-P energy: -24.875
tors. eta vs tors. theta energy: -21.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -975.210092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.210092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.210092 (E_RNA)
where:
Base-Base interactions energy: -678.106
where: short stacking energy: -281.827
Base-Backbone interact. energy: -3.022
local terms energy: -294.082472
where:
bonds (distance) C4'-P energy: -52.373
bonds (distance) P-C4' energy: -52.881
flat angles C4'-P-C4' energy: -59.506
flat angles P-C4'-P energy: -48.572
tors. eta vs tors. theta energy: -80.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -943.724626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.724626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.724626 (E_RNA)
where:
Base-Base interactions energy: -658.779
where: short stacking energy: -294.014
Base-Backbone interact. energy: -0.024
local terms energy: -284.921755
where:
bonds (distance) C4'-P energy: -44.822
bonds (distance) P-C4' energy: -51.668
flat angles C4'-P-C4' energy: -64.616
flat angles P-C4'-P energy: -41.300
tors. eta vs tors. theta energy: -82.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -921.347000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.347000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.347000 (E_RNA)
where:
Base-Base interactions energy: -653.262
where: short stacking energy: -277.149
Base-Backbone interact. energy: 0.084
local terms energy: -268.169512
where:
bonds (distance) C4'-P energy: -49.980
bonds (distance) P-C4' energy: -49.004
flat angles C4'-P-C4' energy: -54.979
flat angles P-C4'-P energy: -40.216
tors. eta vs tors. theta energy: -73.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -861.179021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.179021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.179021 (E_RNA)
where:
Base-Base interactions energy: -606.530
where: short stacking energy: -246.637
Base-Backbone interact. energy: -0.848
local terms energy: -253.801446
where:
bonds (distance) C4'-P energy: -55.903
bonds (distance) P-C4' energy: -34.307
flat angles C4'-P-C4' energy: -59.230
flat angles P-C4'-P energy: -39.526
tors. eta vs tors. theta energy: -64.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -823.066689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.066689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.066689 (E_RNA)
where:
Base-Base interactions energy: -570.452
where: short stacking energy: -232.629
Base-Backbone interact. energy: -2.145
local terms energy: -250.470072
where:
bonds (distance) C4'-P energy: -52.070
bonds (distance) P-C4' energy: -51.711
flat angles C4'-P-C4' energy: -52.646
flat angles P-C4'-P energy: -28.266
tors. eta vs tors. theta energy: -65.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -652.852836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.852836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.852836 (E_RNA)
where:
Base-Base interactions energy: -438.757
where: short stacking energy: -188.152
Base-Backbone interact. energy: -2.700
local terms energy: -211.395747
where:
bonds (distance) C4'-P energy: -45.610
bonds (distance) P-C4' energy: -44.393
flat angles C4'-P-C4' energy: -46.737
flat angles P-C4'-P energy: -36.257
tors. eta vs tors. theta energy: -38.399
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: 7, replica: 6
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -761.284144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.284144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.284144 (E_RNA)
where:
Base-Base interactions energy: -534.984
where: short stacking energy: -219.332
Base-Backbone interact. energy: 1.457
local terms energy: -227.756986
where:
bonds (distance) C4'-P energy: -37.675
bonds (distance) P-C4' energy: -48.229
flat angles C4'-P-C4' energy: -54.352
flat angles P-C4'-P energy: -27.457
tors. eta vs tors. theta energy: -60.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -646.701634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.701634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.701634 (E_RNA)
where:
Base-Base interactions energy: -442.570
where: short stacking energy: -188.676
Base-Backbone interact. energy: -1.985
local terms energy: -202.146497
where:
bonds (distance) C4'-P energy: -35.186
bonds (distance) P-C4' energy: -42.384
flat angles C4'-P-C4' energy: -50.004
flat angles P-C4'-P energy: -32.485
tors. eta vs tors. theta energy: -42.088
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: 3
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -507.765968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.765968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.765968 (E_RNA)
where:
Base-Base interactions energy: -309.998
where: short stacking energy: -165.574
Base-Backbone interact. energy: -1.164
local terms energy: -196.604542
where:
bonds (distance) C4'-P energy: -55.591
bonds (distance) P-C4' energy: -57.700
flat angles C4'-P-C4' energy: -41.486
flat angles P-C4'-P energy: -20.642
tors. eta vs tors. theta energy: -21.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -515.296536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.296536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.296536 (E_RNA)
where:
Base-Base interactions energy: -325.054
where: short stacking energy: -135.766
Base-Backbone interact. energy: 1.704
local terms energy: -191.947376
where:
bonds (distance) C4'-P energy: -38.228
bonds (distance) P-C4' energy: -50.250
flat angles C4'-P-C4' energy: -52.808
flat angles P-C4'-P energy: -30.342
tors. eta vs tors. theta energy: -20.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -976.335440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.335440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.335440 (E_RNA)
where:
Base-Base interactions energy: -692.384
where: short stacking energy: -301.787
Base-Backbone interact. energy: -2.112
local terms energy: -281.839895
where:
bonds (distance) C4'-P energy: -45.841
bonds (distance) P-C4' energy: -54.289
flat angles C4'-P-C4' energy: -62.836
flat angles P-C4'-P energy: -36.145
tors. eta vs tors. theta energy: -82.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -926.384252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.384252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.384252 (E_RNA)
where:
Base-Base interactions energy: -650.102
where: short stacking energy: -276.531
Base-Backbone interact. energy: -3.614
local terms energy: -272.668474
where:
bonds (distance) C4'-P energy: -50.753
bonds (distance) P-C4' energy: -49.452
flat angles C4'-P-C4' energy: -57.071
flat angles P-C4'-P energy: -35.962
tors. eta vs tors. theta energy: -79.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -928.087430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.087430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.087430 (E_RNA)
where:
Base-Base interactions energy: -650.564
where: short stacking energy: -255.082
Base-Backbone interact. energy: -1.837
local terms energy: -275.686774
where:
bonds (distance) C4'-P energy: -46.287
bonds (distance) P-C4' energy: -54.604
flat angles C4'-P-C4' energy: -55.109
flat angles P-C4'-P energy: -44.221
tors. eta vs tors. theta energy: -75.466
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: 4, replica: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -878.300121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.300121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.300121 (E_RNA)
where:
Base-Base interactions energy: -603.471
where: short stacking energy: -236.683
Base-Backbone interact. energy: -0.782
local terms energy: -274.046574
where:
bonds (distance) C4'-P energy: -53.813
bonds (distance) P-C4' energy: -56.197
flat angles C4'-P-C4' energy: -55.167
flat angles P-C4'-P energy: -36.710
tors. eta vs tors. theta energy: -72.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -832.677062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.677062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.677062 (E_RNA)
where:
Base-Base interactions energy: -577.190
where: short stacking energy: -245.215
Base-Backbone interact. energy: -0.483
local terms energy: -255.004171
where:
bonds (distance) C4'-P energy: -50.885
bonds (distance) P-C4' energy: -52.238
flat angles C4'-P-C4' energy: -47.290
flat angles P-C4'-P energy: -38.573
tors. eta vs tors. theta energy: -66.017
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: 6, replica: 9
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -726.693824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.693824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.693824 (E_RNA)
where:
Base-Base interactions energy: -497.524
where: short stacking energy: -214.575
Base-Backbone interact. energy: -0.316
local terms energy: -228.853522
where:
bonds (distance) C4'-P energy: -44.991
bonds (distance) P-C4' energy: -55.816
flat angles C4'-P-C4' energy: -46.501
flat angles P-C4'-P energy: -31.961
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: 7, replica: 6
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -763.051688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.051688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.051688 (E_RNA)
where:
Base-Base interactions energy: -526.014
where: short stacking energy: -213.868
Base-Backbone interact. energy: 1.761
local terms energy: -238.798654
where:
bonds (distance) C4'-P energy: -43.035
bonds (distance) P-C4' energy: -52.522
flat angles C4'-P-C4' energy: -49.477
flat angles P-C4'-P energy: -36.710
tors. eta vs tors. theta energy: -57.054
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: 8
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -672.548716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.548716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.548716 (E_RNA)
where:
Base-Base interactions energy: -450.733
where: short stacking energy: -209.070
Base-Backbone interact. energy: -3.347
local terms energy: -218.468719
where:
bonds (distance) C4'-P energy: -32.009
bonds (distance) P-C4' energy: -50.932
flat angles C4'-P-C4' energy: -47.329
flat angles P-C4'-P energy: -25.331
tors. eta vs tors. theta energy: -62.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -560.379648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.379648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.379648 (E_RNA)
where:
Base-Base interactions energy: -369.920
where: short stacking energy: -164.846
Base-Backbone interact. energy: 0.545
local terms energy: -191.004238
where:
bonds (distance) C4'-P energy: -34.808
bonds (distance) P-C4' energy: -46.599
flat angles C4'-P-C4' energy: -52.430
flat angles P-C4'-P energy: -22.009
tors. eta vs tors. theta energy: -35.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -488.635414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.635414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.635414 (E_RNA)
where:
Base-Base interactions energy: -323.562
where: short stacking energy: -143.124
Base-Backbone interact. energy: -2.182
local terms energy: -162.890860
where:
bonds (distance) C4'-P energy: -39.536
bonds (distance) P-C4' energy: -44.799
flat angles C4'-P-C4' energy: -35.299
flat angles P-C4'-P energy: -25.642
tors. eta vs tors. theta energy: -17.615
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: 5
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -972.309682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.309682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.309682 (E_RNA)
where:
Base-Base interactions energy: -669.422
where: short stacking energy: -285.966
Base-Backbone interact. energy: -2.567
local terms energy: -300.320811
where:
bonds (distance) C4'-P energy: -52.409
bonds (distance) P-C4' energy: -63.438
flat angles C4'-P-C4' energy: -57.102
flat angles P-C4'-P energy: -43.817
tors. eta vs tors. theta energy: -83.553
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: 10
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -940.261061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.261061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.261061 (E_RNA)
where:
Base-Base interactions energy: -640.738
where: short stacking energy: -275.741
Base-Backbone interact. energy: -0.039
local terms energy: -299.484742
where:
bonds (distance) C4'-P energy: -49.570
bonds (distance) P-C4' energy: -56.965
flat angles C4'-P-C4' energy: -61.264
flat angles P-C4'-P energy: -46.291
tors. eta vs tors. theta energy: -85.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -941.035249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.035249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.035249 (E_RNA)
where:
Base-Base interactions energy: -655.547
where: short stacking energy: -268.512
Base-Backbone interact. energy: -1.639
local terms energy: -283.849245
where:
bonds (distance) C4'-P energy: -53.641
bonds (distance) P-C4' energy: -57.641
flat angles C4'-P-C4' energy: -59.457
flat angles P-C4'-P energy: -41.122
tors. eta vs tors. theta energy: -71.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -880.239624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.239624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.239624 (E_RNA)
where:
Base-Base interactions energy: -622.445
where: short stacking energy: -233.864
Base-Backbone interact. energy: -0.474
local terms energy: -257.319998
where:
bonds (distance) C4'-P energy: -52.616
bonds (distance) P-C4' energy: -48.423
flat angles C4'-P-C4' energy: -57.490
flat angles P-C4'-P energy: -43.884
tors. eta vs tors. theta energy: -54.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -817.640188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.640188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.640188 (E_RNA)
where:
Base-Base interactions energy: -571.588
where: short stacking energy: -239.597
Base-Backbone interact. energy: -0.561
local terms energy: -245.491607
where:
bonds (distance) C4'-P energy: -46.831
bonds (distance) P-C4' energy: -49.095
flat angles C4'-P-C4' energy: -60.754
flat angles P-C4'-P energy: -31.810
tors. eta vs tors. theta energy: -57.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -782.303454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.303454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.303454 (E_RNA)
where:
Base-Base interactions energy: -543.900
where: short stacking energy: -215.419
Base-Backbone interact. energy: -2.443
local terms energy: -235.959964
where:
bonds (distance) C4'-P energy: -46.293
bonds (distance) P-C4' energy: -51.079
flat angles C4'-P-C4' energy: -54.817
flat angles P-C4'-P energy: -28.869
tors. eta vs tors. theta energy: -54.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -680.826425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.826425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.826425 (E_RNA)
where:
Base-Base interactions energy: -468.773
where: short stacking energy: -206.564
Base-Backbone interact. energy: -1.622
local terms energy: -210.431558
where:
bonds (distance) C4'-P energy: -46.225
bonds (distance) P-C4' energy: -42.122
flat angles C4'-P-C4' energy: -48.663
flat angles P-C4'-P energy: -24.193
tors. eta vs tors. theta energy: -49.229
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: 8, replica: 8
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -678.876178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.876178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.876178 (E_RNA)
where:
Base-Base interactions energy: -439.915
where: short stacking energy: -183.813
Base-Backbone interact. energy: -0.528
local terms energy: -238.433791
where:
bonds (distance) C4'-P energy: -49.740
bonds (distance) P-C4' energy: -54.117
flat angles C4'-P-C4' energy: -50.588
flat angles P-C4'-P energy: -28.505
tors. eta vs tors. theta energy: -55.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -527.796404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.796404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.796404 (E_RNA)
where:
Base-Base interactions energy: -352.940
where: short stacking energy: -139.319
Base-Backbone interact. energy: 0.261
local terms energy: -175.117978
where:
bonds (distance) C4'-P energy: -31.076
bonds (distance) P-C4' energy: -42.154
flat angles C4'-P-C4' energy: -39.433
flat angles P-C4'-P energy: -30.638
tors. eta vs tors. theta energy: -31.817
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: 3
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -502.542456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.542456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.542456 (E_RNA)
where:
Base-Base interactions energy: -328.641
where: short stacking energy: -158.331
Base-Backbone interact. energy: -0.104
local terms energy: -173.797471
where:
bonds (distance) C4'-P energy: -40.361
bonds (distance) P-C4' energy: -46.316
flat angles C4'-P-C4' energy: -39.053
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -35.477
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: 5
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -991.092614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.092614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.092614 (E_RNA)
where:
Base-Base interactions energy: -678.892
where: short stacking energy: -290.812
Base-Backbone interact. energy: -1.842
local terms energy: -310.357775
where:
bonds (distance) C4'-P energy: -57.588
bonds (distance) P-C4' energy: -58.359
flat angles C4'-P-C4' energy: -63.282
flat angles P-C4'-P energy: -42.656
tors. eta vs tors. theta energy: -88.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -916.426212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.426212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.426212 (E_RNA)
where:
Base-Base interactions energy: -644.261
where: short stacking energy: -280.611
Base-Backbone interact. energy: -1.501
local terms energy: -270.664205
where:
bonds (distance) C4'-P energy: -43.004
bonds (distance) P-C4' energy: -52.196
flat angles C4'-P-C4' energy: -60.083
flat angles P-C4'-P energy: -40.863
tors. eta vs tors. theta energy: -74.519
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: 3, replica: 4
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -922.416310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.416310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.416310 (E_RNA)
where:
Base-Base interactions energy: -654.062
where: short stacking energy: -258.463
Base-Backbone interact. energy: -1.104
local terms energy: -267.250134
where:
bonds (distance) C4'-P energy: -41.643
bonds (distance) P-C4' energy: -50.630
flat angles C4'-P-C4' energy: -57.818
flat angles P-C4'-P energy: -44.364
tors. eta vs tors. theta energy: -72.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -873.908560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.908560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.908560 (E_RNA)
where:
Base-Base interactions energy: -610.792
where: short stacking energy: -246.577
Base-Backbone interact. energy: 0.059
local terms energy: -263.175969
where:
bonds (distance) C4'-P energy: -48.741
bonds (distance) P-C4' energy: -50.756
flat angles C4'-P-C4' energy: -53.461
flat angles P-C4'-P energy: -37.633
tors. eta vs tors. theta energy: -72.585
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: 5, replica: 2
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -821.485893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.485893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.485893 (E_RNA)
where:
Base-Base interactions energy: -566.471
where: short stacking energy: -256.320
Base-Backbone interact. energy: 2.120
local terms energy: -257.135253
where:
bonds (distance) C4'-P energy: -47.801
bonds (distance) P-C4' energy: -48.446
flat angles C4'-P-C4' energy: -55.037
flat angles P-C4'-P energy: -35.889
tors. eta vs tors. theta energy: -69.963
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: 6
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -770.243098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.243098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.243098 (E_RNA)
where:
Base-Base interactions energy: -526.825
where: short stacking energy: -211.385
Base-Backbone interact. energy: -1.011
local terms energy: -242.406808
where:
bonds (distance) C4'-P energy: -47.521
bonds (distance) P-C4' energy: -40.468
flat angles C4'-P-C4' energy: -56.529
flat angles P-C4'-P energy: -40.911
tors. eta vs tors. theta energy: -56.978
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: 9
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -648.076411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.076411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.076411 (E_RNA)
where:
Base-Base interactions energy: -438.472
where: short stacking energy: -199.283
Base-Backbone interact. energy: 0.739
local terms energy: -210.343301
where:
bonds (distance) C4'-P energy: -39.330
bonds (distance) P-C4' energy: -39.025
flat angles C4'-P-C4' energy: -50.021
flat angles P-C4'-P energy: -38.417
tors. eta vs tors. theta energy: -43.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -653.177278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.177278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.177278 (E_RNA)
where:
Base-Base interactions energy: -432.547
where: short stacking energy: -192.045
Base-Backbone interact. energy: -1.004
local terms energy: -219.625853
where:
bonds (distance) C4'-P energy: -42.923
bonds (distance) P-C4' energy: -49.126
flat angles C4'-P-C4' energy: -45.154
flat angles P-C4'-P energy: -29.402
tors. eta vs tors. theta energy: -53.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -543.397464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.397464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.397464 (E_RNA)
where:
Base-Base interactions energy: -352.048
where: short stacking energy: -154.909
Base-Backbone interact. energy: -0.299
local terms energy: -191.050055
where:
bonds (distance) C4'-P energy: -37.865
bonds (distance) P-C4' energy: -52.687
flat angles C4'-P-C4' energy: -44.063
flat angles P-C4'-P energy: -25.445
tors. eta vs tors. theta energy: -30.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -524.125728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.125728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.125728 (E_RNA)
where:
Base-Base interactions energy: -341.846
where: short stacking energy: -164.955
Base-Backbone interact. energy: -0.823
local terms energy: -181.456746
where:
bonds (distance) C4'-P energy: -36.749
bonds (distance) P-C4' energy: -46.009
flat angles C4'-P-C4' energy: -47.045
flat angles P-C4'-P energy: -20.058
tors. eta vs tors. theta energy: -31.596
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: 5
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -989.668280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.668280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.668280 (E_RNA)
where:
Base-Base interactions energy: -686.586
where: short stacking energy: -293.905
Base-Backbone interact. energy: -3.197
local terms energy: -299.884942
where:
bonds (distance) C4'-P energy: -51.552
bonds (distance) P-C4' energy: -52.176
flat angles C4'-P-C4' energy: -65.855
flat angles P-C4'-P energy: -42.900
tors. eta vs tors. theta energy: -87.401
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: 4
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -943.835531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.835531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.835531 (E_RNA)
where:
Base-Base interactions energy: -680.551
where: short stacking energy: -275.154
Base-Backbone interact. energy: -1.132
local terms energy: -262.152218
where:
bonds (distance) C4'-P energy: -51.891
bonds (distance) P-C4' energy: -40.119
flat angles C4'-P-C4' energy: -60.921
flat angles P-C4'-P energy: -33.420
tors. eta vs tors. theta energy: -75.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -920.731103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.731103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.731103 (E_RNA)
where:
Base-Base interactions energy: -646.330
where: short stacking energy: -266.648
Base-Backbone interact. energy: 0.631
local terms energy: -275.032050
where:
bonds (distance) C4'-P energy: -53.577
bonds (distance) P-C4' energy: -50.968
flat angles C4'-P-C4' energy: -59.433
flat angles P-C4'-P energy: -39.146
tors. eta vs tors. theta energy: -71.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -820.208894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.208894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.208894 (E_RNA)
where:
Base-Base interactions energy: -560.838
where: short stacking energy: -252.367
Base-Backbone interact. energy: -0.702
local terms energy: -258.668523
where:
bonds (distance) C4'-P energy: -43.359
bonds (distance) P-C4' energy: -54.884
flat angles C4'-P-C4' energy: -54.964
flat angles P-C4'-P energy: -39.513
tors. eta vs tors. theta energy: -65.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -822.587617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.587617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.587617 (E_RNA)
where:
Base-Base interactions energy: -575.413
where: short stacking energy: -235.295
Base-Backbone interact. energy: 0.629
local terms energy: -247.803355
where:
bonds (distance) C4'-P energy: -43.160
bonds (distance) P-C4' energy: -42.631
flat angles C4'-P-C4' energy: -52.658
flat angles P-C4'-P energy: -38.404
tors. eta vs tors. theta energy: -70.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -782.091745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.091745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.091745 (E_RNA)
where:
Base-Base interactions energy: -546.219
where: short stacking energy: -221.540
Base-Backbone interact. energy: -1.172
local terms energy: -234.701131
where:
bonds (distance) C4'-P energy: -46.736
bonds (distance) P-C4' energy: -51.417
flat angles C4'-P-C4' energy: -48.947
flat angles P-C4'-P energy: -30.342
tors. eta vs tors. theta energy: -57.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -633.044568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.044568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.044568 (E_RNA)
where:
Base-Base interactions energy: -431.221
where: short stacking energy: -167.520
Base-Backbone interact. energy: -0.006
local terms energy: -201.818280
where:
bonds (distance) C4'-P energy: -36.914
bonds (distance) P-C4' energy: -54.131
flat angles C4'-P-C4' energy: -44.135
flat angles P-C4'-P energy: -33.747
tors. eta vs tors. theta energy: -32.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -632.477338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.477338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.477338 (E_RNA)
where:
Base-Base interactions energy: -427.380
where: short stacking energy: -184.133
Base-Backbone interact. energy: -0.807
local terms energy: -204.290408
where:
bonds (distance) C4'-P energy: -51.037
bonds (distance) P-C4' energy: -37.920
flat angles C4'-P-C4' energy: -36.367
flat angles P-C4'-P energy: -36.825
tors. eta vs tors. theta energy: -42.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -564.107935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.107935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.107935 (E_RNA)
where:
Base-Base interactions energy: -373.996
where: short stacking energy: -163.165
Base-Backbone interact. energy: 0.739
local terms energy: -190.851366
where:
bonds (distance) C4'-P energy: -40.997
bonds (distance) P-C4' energy: -48.349
flat angles C4'-P-C4' energy: -29.715
flat angles P-C4'-P energy: -32.079
tors. eta vs tors. theta energy: -39.712
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: 3
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -499.711475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.711475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.711475 (E_RNA)
where:
Base-Base interactions energy: -302.743
where: short stacking energy: -147.894
Base-Backbone interact. energy: -0.208
local terms energy: -196.760849
where:
bonds (distance) C4'-P energy: -41.382
bonds (distance) P-C4' energy: -39.012
flat angles C4'-P-C4' energy: -45.752
flat angles P-C4'-P energy: -29.122
tors. eta vs tors. theta energy: -41.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -958.602705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.602705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.602705 (E_RNA)
where:
Base-Base interactions energy: -667.305
where: short stacking energy: -273.951
Base-Backbone interact. energy: -2.762
local terms energy: -288.536307
where:
bonds (distance) C4'-P energy: -52.037
bonds (distance) P-C4' energy: -57.115
flat angles C4'-P-C4' energy: -54.698
flat angles P-C4'-P energy: -44.929
tors. eta vs tors. theta energy: -79.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -946.054246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.054246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.054246 (E_RNA)
where:
Base-Base interactions energy: -655.447
where: short stacking energy: -264.084
Base-Backbone interact. energy: -2.491
local terms energy: -288.116468
where:
bonds (distance) C4'-P energy: -51.771
bonds (distance) P-C4' energy: -51.981
flat angles C4'-P-C4' energy: -62.696
flat angles P-C4'-P energy: -40.471
tors. eta vs tors. theta energy: -81.198
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: 10
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -929.701397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.701397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.701397 (E_RNA)
where:
Base-Base interactions energy: -649.990
where: short stacking energy: -272.963
Base-Backbone interact. energy: -0.282
local terms energy: -279.429373
where:
bonds (distance) C4'-P energy: -45.215
bonds (distance) P-C4' energy: -53.498
flat angles C4'-P-C4' energy: -57.247
flat angles P-C4'-P energy: -42.806
tors. eta vs tors. theta energy: -80.664
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: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -842.920741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.920741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.920741 (E_RNA)
where:
Base-Base interactions energy: -590.904
where: short stacking energy: -244.638
Base-Backbone interact. energy: -1.388
local terms energy: -250.628774
where:
bonds (distance) C4'-P energy: -41.580
bonds (distance) P-C4' energy: -54.698
flat angles C4'-P-C4' energy: -51.948
flat angles P-C4'-P energy: -32.304
tors. eta vs tors. theta energy: -70.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -813.653157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.653157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.653157 (E_RNA)
where:
Base-Base interactions energy: -556.581
where: short stacking energy: -240.644
Base-Backbone interact. energy: -0.366
local terms energy: -256.706276
where:
bonds (distance) C4'-P energy: -45.144
bonds (distance) P-C4' energy: -52.620
flat angles C4'-P-C4' energy: -45.601
flat angles P-C4'-P energy: -45.375
tors. eta vs tors. theta energy: -67.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -821.657940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.657940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.657940 (E_RNA)
where:
Base-Base interactions energy: -561.991
where: short stacking energy: -216.492
Base-Backbone interact. energy: -1.528
local terms energy: -258.138869
where:
bonds (distance) C4'-P energy: -41.023
bonds (distance) P-C4' energy: -58.056
flat angles C4'-P-C4' energy: -53.706
flat angles P-C4'-P energy: -35.906
tors. eta vs tors. theta energy: -69.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -641.002855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.002855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.002855 (E_RNA)
where:
Base-Base interactions energy: -433.033
where: short stacking energy: -179.068
Base-Backbone interact. energy: -0.742
local terms energy: -207.227645
where:
bonds (distance) C4'-P energy: -42.358
bonds (distance) P-C4' energy: -37.247
flat angles C4'-P-C4' energy: -42.360
flat angles P-C4'-P energy: -39.370
tors. eta vs tors. theta energy: -45.894
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: 9
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -669.357800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.357800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.357800 (E_RNA)
where:
Base-Base interactions energy: -449.861
where: short stacking energy: -203.676
Base-Backbone interact. energy: 0.113
local terms energy: -219.610307
where:
bonds (distance) C4'-P energy: -45.636
bonds (distance) P-C4' energy: -39.311
flat angles C4'-P-C4' energy: -47.166
flat angles P-C4'-P energy: -37.775
tors. eta vs tors. theta energy: -49.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -590.218896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.218896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.218896 (E_RNA)
where:
Base-Base interactions energy: -377.700
where: short stacking energy: -181.131
Base-Backbone interact. energy: -0.296
local terms energy: -212.223756
where:
bonds (distance) C4'-P energy: -33.841
bonds (distance) P-C4' energy: -47.438
flat angles C4'-P-C4' energy: -52.737
flat angles P-C4'-P energy: -34.986
tors. eta vs tors. theta energy: -43.221
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: 10, replica: 3
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -468.231046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.231046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.231046 (E_RNA)
where:
Base-Base interactions energy: -275.417
where: short stacking energy: -119.818
Base-Backbone interact. energy: 0.180
local terms energy: -192.994706
where:
bonds (distance) C4'-P energy: -46.292
bonds (distance) P-C4' energy: -49.414
flat angles C4'-P-C4' energy: -48.597
flat angles P-C4'-P energy: -34.093
tors. eta vs tors. theta energy: -14.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -963.334610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.334610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.334610 (E_RNA)
where:
Base-Base interactions energy: -667.661
where: short stacking energy: -268.117
Base-Backbone interact. energy: -0.873
local terms energy: -294.800700
where:
bonds (distance) C4'-P energy: -60.619
bonds (distance) P-C4' energy: -57.010
flat angles C4'-P-C4' energy: -61.497
flat angles P-C4'-P energy: -38.865
tors. eta vs tors. theta energy: -76.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -942.412323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.412323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.412323 (E_RNA)
where:
Base-Base interactions energy: -664.193
where: short stacking energy: -274.448
Base-Backbone interact. energy: -0.623
local terms energy: -277.596672
where:
bonds (distance) C4'-P energy: -48.892
bonds (distance) P-C4' energy: -48.827
flat angles C4'-P-C4' energy: -60.396
flat angles P-C4'-P energy: -39.176
tors. eta vs tors. theta energy: -80.306
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: 10
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -907.041014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.041014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.041014 (E_RNA)
where:
Base-Base interactions energy: -620.233
where: short stacking energy: -263.833
Base-Backbone interact. energy: -0.814
local terms energy: -285.994195
where:
bonds (distance) C4'-P energy: -42.669
bonds (distance) P-C4' energy: -54.617
flat angles C4'-P-C4' energy: -64.096
flat angles P-C4'-P energy: -45.403
tors. eta vs tors. theta energy: -79.210
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: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -865.267649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.267649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.267649 (E_RNA)
where:
Base-Base interactions energy: -620.915
where: short stacking energy: -249.215
Base-Backbone interact. energy: -0.891
local terms energy: -243.462032
where:
bonds (distance) C4'-P energy: -59.922
bonds (distance) P-C4' energy: -34.294
flat angles C4'-P-C4' energy: -57.693
flat angles P-C4'-P energy: -26.050
tors. eta vs tors. theta energy: -65.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -807.804902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.804902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.804902 (E_RNA)
where:
Base-Base interactions energy: -553.439
where: short stacking energy: -228.771
Base-Backbone interact. energy: -2.552
local terms energy: -251.813507
where:
bonds (distance) C4'-P energy: -49.407
bonds (distance) P-C4' energy: -42.299
flat angles C4'-P-C4' energy: -50.974
flat angles P-C4'-P energy: -43.478
tors. eta vs tors. theta energy: -65.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -850.835252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.835252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.835252 (E_RNA)
where:
Base-Base interactions energy: -578.352
where: short stacking energy: -232.220
Base-Backbone interact. energy: -2.171
local terms energy: -270.311903
where:
bonds (distance) C4'-P energy: -47.538
bonds (distance) P-C4' energy: -50.238
flat angles C4'-P-C4' energy: -58.458
flat angles P-C4'-P energy: -43.514
tors. eta vs tors. theta energy: -70.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -665.598547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.598547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.598547 (E_RNA)
where:
Base-Base interactions energy: -437.377
where: short stacking energy: -190.203
Base-Backbone interact. energy: -1.816
local terms energy: -226.405668
where:
bonds (distance) C4'-P energy: -49.727
bonds (distance) P-C4' energy: -53.685
flat angles C4'-P-C4' energy: -48.158
flat angles P-C4'-P energy: -33.941
tors. eta vs tors. theta energy: -40.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -645.677451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.677451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.677451 (E_RNA)
where:
Base-Base interactions energy: -432.217
where: short stacking energy: -192.638
Base-Backbone interact. energy: -0.785
local terms energy: -212.674913
where:
bonds (distance) C4'-P energy: -47.820
bonds (distance) P-C4' energy: -41.283
flat angles C4'-P-C4' energy: -57.861
flat angles P-C4'-P energy: -25.594
tors. eta vs tors. theta energy: -40.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -546.778411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.778411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.778411 (E_RNA)
where:
Base-Base interactions energy: -386.394
where: short stacking energy: -151.838
Base-Backbone interact. energy: 1.553
local terms energy: -161.937431
where:
bonds (distance) C4'-P energy: -33.746
bonds (distance) P-C4' energy: -37.015
flat angles C4'-P-C4' energy: -40.933
flat angles P-C4'-P energy: -19.258
tors. eta vs tors. theta energy: -30.987
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: 3
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -480.081008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.081008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.081008 (E_RNA)
where:
Base-Base interactions energy: -285.562
where: short stacking energy: -137.089
Base-Backbone interact. energy: 1.960
local terms energy: -196.479390
where:
bonds (distance) C4'-P energy: -47.386
bonds (distance) P-C4' energy: -52.263
flat angles C4'-P-C4' energy: -45.429
flat angles P-C4'-P energy: -26.462
tors. eta vs tors. theta energy: -24.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -971.667352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.667352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.667352 (E_RNA)
where:
Base-Base interactions energy: -676.872
where: short stacking energy: -289.847
Base-Backbone interact. energy: -1.206
local terms energy: -293.588854
where:
bonds (distance) C4'-P energy: -46.480
bonds (distance) P-C4' energy: -53.644
flat angles C4'-P-C4' energy: -64.009
flat angles P-C4'-P energy: -48.529
tors. eta vs tors. theta energy: -80.927
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: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -937.915032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.915032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.915032 (E_RNA)
where:
Base-Base interactions energy: -654.777
where: short stacking energy: -263.783
Base-Backbone interact. energy: -1.628
local terms energy: -281.510678
where:
bonds (distance) C4'-P energy: -50.600
bonds (distance) P-C4' energy: -55.553
flat angles C4'-P-C4' energy: -57.104
flat angles P-C4'-P energy: -43.270
tors. eta vs tors. theta energy: -74.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -883.789631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.789631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.789631 (E_RNA)
where:
Base-Base interactions energy: -607.136
where: short stacking energy: -239.486
Base-Backbone interact. energy: -0.530
local terms energy: -276.124500
where:
bonds (distance) C4'-P energy: -56.297
bonds (distance) P-C4' energy: -57.756
flat angles C4'-P-C4' energy: -53.698
flat angles P-C4'-P energy: -42.456
tors. eta vs tors. theta energy: -65.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -892.990537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.990537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.990537 (E_RNA)
where:
Base-Base interactions energy: -609.490
where: short stacking energy: -239.917
Base-Backbone interact. energy: 0.150
local terms energy: -283.650818
where:
bonds (distance) C4'-P energy: -54.263
bonds (distance) P-C4' energy: -57.606
flat angles C4'-P-C4' energy: -53.438
flat angles P-C4'-P energy: -42.981
tors. eta vs tors. theta energy: -75.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -847.254276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.254276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.254276 (E_RNA)
where:
Base-Base interactions energy: -577.443
where: short stacking energy: -245.296
Base-Backbone interact. energy: -0.043
local terms energy: -269.768139
where:
bonds (distance) C4'-P energy: -43.644
bonds (distance) P-C4' energy: -56.708
flat angles C4'-P-C4' energy: -63.615
flat angles P-C4'-P energy: -36.518
tors. eta vs tors. theta energy: -69.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -808.730826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.730826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.730826 (E_RNA)
where:
Base-Base interactions energy: -544.872
where: short stacking energy: -234.766
Base-Backbone interact. energy: -1.041
local terms energy: -262.817532
where:
bonds (distance) C4'-P energy: -51.438
bonds (distance) P-C4' energy: -58.561
flat angles C4'-P-C4' energy: -52.795
flat angles P-C4'-P energy: -38.173
tors. eta vs tors. theta energy: -61.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -669.404019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.404019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.404019 (E_RNA)
where:
Base-Base interactions energy: -451.790
where: short stacking energy: -190.825
Base-Backbone interact. energy: -0.687
local terms energy: -216.926726
where:
bonds (distance) C4'-P energy: -41.685
bonds (distance) P-C4' energy: -48.556
flat angles C4'-P-C4' energy: -52.059
flat angles P-C4'-P energy: -37.701
tors. eta vs tors. theta energy: -36.925
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: 9
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -642.123259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.123259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.123259 (E_RNA)
where:
Base-Base interactions energy: -444.763
where: short stacking energy: -188.548
Base-Backbone interact. energy: -0.686
local terms energy: -196.674033
where:
bonds (distance) C4'-P energy: -44.077
bonds (distance) P-C4' energy: -39.766
flat angles C4'-P-C4' energy: -50.196
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -44.673
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: 9, replica: 7
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -547.416872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.416872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.416872 (E_RNA)
where:
Base-Base interactions energy: -342.063
where: short stacking energy: -136.320
Base-Backbone interact. energy: 0.103
local terms energy: -205.456685
where:
bonds (distance) C4'-P energy: -42.972
bonds (distance) P-C4' energy: -41.364
flat angles C4'-P-C4' energy: -53.911
flat angles P-C4'-P energy: -42.186
tors. eta vs tors. theta energy: -25.023
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: 3
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -451.528445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.528445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.528445 (E_RNA)
where:
Base-Base interactions energy: -295.778
where: short stacking energy: -141.785
Base-Backbone interact. energy: 0.518
local terms energy: -156.268484
where:
bonds (distance) C4'-P energy: -25.633
bonds (distance) P-C4' energy: -41.387
flat angles C4'-P-C4' energy: -36.967
flat angles P-C4'-P energy: -25.841
tors. eta vs tors. theta energy: -26.441
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: 5
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -962.221490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.221490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.221490 (E_RNA)
where:
Base-Base interactions energy: -669.011
where: short stacking energy: -280.937
Base-Backbone interact. energy: -1.420
local terms energy: -291.789758
where:
bonds (distance) C4'-P energy: -57.200
bonds (distance) P-C4' energy: -58.561
flat angles C4'-P-C4' energy: -61.941
flat angles P-C4'-P energy: -33.656
tors. eta vs tors. theta energy: -80.432
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: 483
Temperature: 0.950000
Total energy: -960.338448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.338448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.338448 (E_RNA)
where:
Base-Base interactions energy: -673.199
where: short stacking energy: -283.601
Base-Backbone interact. energy: -2.873
local terms energy: -284.266961
where:
bonds (distance) C4'-P energy: -48.634
bonds (distance) P-C4' energy: -57.298
flat angles C4'-P-C4' energy: -54.982
flat angles P-C4'-P energy: -45.435
tors. eta vs tors. theta energy: -77.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -906.702979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.702979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.702979 (E_RNA)
where:
Base-Base interactions energy: -639.758
where: short stacking energy: -244.573
Base-Backbone interact. energy: 0.404
local terms energy: -267.348587
where:
bonds (distance) C4'-P energy: -53.029
bonds (distance) P-C4' energy: -47.696
flat angles C4'-P-C4' energy: -58.648
flat angles P-C4'-P energy: -37.271
tors. eta vs tors. theta energy: -70.705
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: 10
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -879.143965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.143965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.143965 (E_RNA)
where:
Base-Base interactions energy: -614.557
where: short stacking energy: -248.040
Base-Backbone interact. energy: -3.089
local terms energy: -261.497372
where:
bonds (distance) C4'-P energy: -46.343
bonds (distance) P-C4' energy: -54.337
flat angles C4'-P-C4' energy: -53.647
flat angles P-C4'-P energy: -38.151
tors. eta vs tors. theta energy: -69.020
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: 1
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -861.779712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.779712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.779712 (E_RNA)
where:
Base-Base interactions energy: -591.603
where: short stacking energy: -241.781
Base-Backbone interact. energy: -0.874
local terms energy: -269.302739
where:
bonds (distance) C4'-P energy: -40.206
bonds (distance) P-C4' energy: -51.463
flat angles C4'-P-C4' energy: -59.781
flat angles P-C4'-P energy: -41.311
tors. eta vs tors. theta energy: -76.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -812.185304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.185304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.185304 (E_RNA)
where:
Base-Base interactions energy: -574.553
where: short stacking energy: -236.529
Base-Backbone interact. energy: -1.577
local terms energy: -236.055782
where:
bonds (distance) C4'-P energy: -45.692
bonds (distance) P-C4' energy: -47.727
flat angles C4'-P-C4' energy: -49.797
flat angles P-C4'-P energy: -29.832
tors. eta vs tors. theta energy: -63.008
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: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -664.741810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.741810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.741810 (E_RNA)
where:
Base-Base interactions energy: -450.361
where: short stacking energy: -200.274
Base-Backbone interact. energy: -0.711
local terms energy: -213.670353
where:
bonds (distance) C4'-P energy: -49.409
bonds (distance) P-C4' energy: -43.095
flat angles C4'-P-C4' energy: -46.079
flat angles P-C4'-P energy: -29.613
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: 8, replica: 9
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -617.525599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.525599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.525599 (E_RNA)
where:
Base-Base interactions energy: -402.561
where: short stacking energy: -168.820
Base-Backbone interact. energy: 1.354
local terms energy: -216.318551
where:
bonds (distance) C4'-P energy: -45.265
bonds (distance) P-C4' energy: -47.465
flat angles C4'-P-C4' energy: -54.597
flat angles P-C4'-P energy: -29.658
tors. eta vs tors. theta energy: -39.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -547.620431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.620431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.620431 (E_RNA)
where:
Base-Base interactions energy: -340.270
where: short stacking energy: -150.705
Base-Backbone interact. energy: -1.165
local terms energy: -206.185473
where:
bonds (distance) C4'-P energy: -49.624
bonds (distance) P-C4' energy: -55.685
flat angles C4'-P-C4' energy: -46.019
flat angles P-C4'-P energy: -24.068
tors. eta vs tors. theta energy: -30.788
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: 3
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -458.544390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.544390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.544390 (E_RNA)
where:
Base-Base interactions energy: -270.545
where: short stacking energy: -113.512
Base-Backbone interact. energy: -0.575
local terms energy: -187.424376
where:
bonds (distance) C4'-P energy: -46.143
bonds (distance) P-C4' energy: -52.854
flat angles C4'-P-C4' energy: -34.516
flat angles P-C4'-P energy: -34.729
tors. eta vs tors. theta energy: -19.183
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: 5
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -981.973712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.973712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.973712 (E_RNA)
where:
Base-Base interactions energy: -689.807
where: short stacking energy: -288.080
Base-Backbone interact. energy: -2.866
local terms energy: -289.300883
where:
bonds (distance) C4'-P energy: -53.021
bonds (distance) P-C4' energy: -44.767
flat angles C4'-P-C4' energy: -64.770
flat angles P-C4'-P energy: -45.328
tors. eta vs tors. theta energy: -81.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -946.740402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.740402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.740402 (E_RNA)
where:
Base-Base interactions energy: -675.046
where: short stacking energy: -275.112
Base-Backbone interact. energy: 1.376
local terms energy: -273.070212
where:
bonds (distance) C4'-P energy: -51.526
bonds (distance) P-C4' energy: -44.891
flat angles C4'-P-C4' energy: -56.682
flat angles P-C4'-P energy: -42.659
tors. eta vs tors. theta energy: -77.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -927.202220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.202220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.202220 (E_RNA)
where:
Base-Base interactions energy: -654.939
where: short stacking energy: -253.413
Base-Backbone interact. energy: 0.181
local terms energy: -272.444752
where:
bonds (distance) C4'-P energy: -54.118
bonds (distance) P-C4' energy: -50.088
flat angles C4'-P-C4' energy: -56.772
flat angles P-C4'-P energy: -38.273
tors. eta vs tors. theta energy: -73.193
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: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -907.324784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.324784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.324784 (E_RNA)
where:
Base-Base interactions energy: -633.392
where: short stacking energy: -266.942
Base-Backbone interact. energy: -3.586
local terms energy: -270.346526
where:
bonds (distance) C4'-P energy: -47.112
bonds (distance) P-C4' energy: -52.557
flat angles C4'-P-C4' energy: -54.927
flat angles P-C4'-P energy: -42.196
tors. eta vs tors. theta energy: -73.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -826.500555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.500555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.500555 (E_RNA)
where:
Base-Base interactions energy: -563.202
where: short stacking energy: -237.844
Base-Backbone interact. energy: 4.346
local terms energy: -267.643617
where:
bonds (distance) C4'-P energy: -56.305
bonds (distance) P-C4' energy: -56.194
flat angles C4'-P-C4' energy: -52.538
flat angles P-C4'-P energy: -40.706
tors. eta vs tors. theta energy: -61.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -813.477774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.477774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.477774 (E_RNA)
where:
Base-Base interactions energy: -555.646
where: short stacking energy: -239.755
Base-Backbone interact. energy: -0.525
local terms energy: -257.307091
where:
bonds (distance) C4'-P energy: -45.491
bonds (distance) P-C4' energy: -51.911
flat angles C4'-P-C4' energy: -53.270
flat angles P-C4'-P energy: -36.631
tors. eta vs tors. theta energy: -70.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -653.698829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.698829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.698829 (E_RNA)
where:
Base-Base interactions energy: -437.735
where: short stacking energy: -193.812
Base-Backbone interact. energy: 3.284
local terms energy: -219.248314
where:
bonds (distance) C4'-P energy: -42.125
bonds (distance) P-C4' energy: -50.784
flat angles C4'-P-C4' energy: -44.368
flat angles P-C4'-P energy: -35.529
tors. eta vs tors. theta energy: -46.443
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: 8
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -647.812777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.812777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.812777 (E_RNA)
where:
Base-Base interactions energy: -433.466
where: short stacking energy: -193.943
Base-Backbone interact. energy: -1.527
local terms energy: -212.819805
where:
bonds (distance) C4'-P energy: -46.510
bonds (distance) P-C4' energy: -42.210
flat angles C4'-P-C4' energy: -51.111
flat angles P-C4'-P energy: -27.442
tors. eta vs tors. theta energy: -45.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -493.662255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.662255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.662255 (E_RNA)
where:
Base-Base interactions energy: -321.095
where: short stacking energy: -151.324
Base-Backbone interact. energy: -1.014
local terms energy: -171.552543
where:
bonds (distance) C4'-P energy: -43.046
bonds (distance) P-C4' energy: -46.631
flat angles C4'-P-C4' energy: -36.037
flat angles P-C4'-P energy: -22.935
tors. eta vs tors. theta energy: -22.903
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: 7
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -562.389721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.389721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.389721 (E_RNA)
where:
Base-Base interactions energy: -338.439
where: short stacking energy: -175.244
Base-Backbone interact. energy: -0.235
local terms energy: -223.715499
where:
bonds (distance) C4'-P energy: -44.447
bonds (distance) P-C4' energy: -52.676
flat angles C4'-P-C4' energy: -49.855
flat angles P-C4'-P energy: -36.500
tors. eta vs tors. theta energy: -40.237
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: 1, replica: 5
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -993.101362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.101362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.101362 (E_RNA)
where:
Base-Base interactions energy: -700.155
where: short stacking energy: -283.639
Base-Backbone interact. energy: 0.499
local terms energy: -293.445540
where:
bonds (distance) C4'-P energy: -57.157
bonds (distance) P-C4' energy: -47.817
flat angles C4'-P-C4' energy: -60.989
flat angles P-C4'-P energy: -44.029
tors. eta vs tors. theta energy: -83.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -954.331587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.331587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.331587 (E_RNA)
where:
Base-Base interactions energy: -686.599
where: short stacking energy: -285.809
Base-Backbone interact. energy: -0.027
local terms energy: -267.705020
where:
bonds (distance) C4'-P energy: -49.291
bonds (distance) P-C4' energy: -46.143
flat angles C4'-P-C4' energy: -57.011
flat angles P-C4'-P energy: -42.313
tors. eta vs tors. theta energy: -72.947
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: 10
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -907.037409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.037409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.037409 (E_RNA)
where:
Base-Base interactions energy: -652.021
where: short stacking energy: -250.472
Base-Backbone interact. energy: -1.506
local terms energy: -253.511025
where:
bonds (distance) C4'-P energy: -46.805
bonds (distance) P-C4' energy: -40.060
flat angles C4'-P-C4' energy: -56.007
flat angles P-C4'-P energy: -42.568
tors. eta vs tors. theta energy: -68.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -886.437613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.437613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.437613 (E_RNA)
where:
Base-Base interactions energy: -614.226
where: short stacking energy: -248.162
Base-Backbone interact. energy: -0.756
local terms energy: -271.455349
where:
bonds (distance) C4'-P energy: -44.921
bonds (distance) P-C4' energy: -52.565
flat angles C4'-P-C4' energy: -62.590
flat angles P-C4'-P energy: -38.595
tors. eta vs tors. theta energy: -72.783
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: 485
Temperature: 1.100000
Total energy: -825.483329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.483329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.483329 (E_RNA)
where:
Base-Base interactions energy: -578.549
where: short stacking energy: -233.645
Base-Backbone interact. energy: -1.088
local terms energy: -245.846113
where:
bonds (distance) C4'-P energy: -48.975
bonds (distance) P-C4' energy: -52.479
flat angles C4'-P-C4' energy: -51.384
flat angles P-C4'-P energy: -31.501
tors. eta vs tors. theta energy: -61.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -816.572887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.572887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.572887 (E_RNA)
where:
Base-Base interactions energy: -568.669
where: short stacking energy: -220.832
Base-Backbone interact. energy: -0.791
local terms energy: -247.112555
where:
bonds (distance) C4'-P energy: -51.301
bonds (distance) P-C4' energy: -55.779
flat angles C4'-P-C4' energy: -47.946
flat angles P-C4'-P energy: -34.943
tors. eta vs tors. theta energy: -57.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -655.767456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.767456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.767456 (E_RNA)
where:
Base-Base interactions energy: -462.581
where: short stacking energy: -204.047
Base-Backbone interact. energy: -0.366
local terms energy: -192.819849
where:
bonds (distance) C4'-P energy: -42.615
bonds (distance) P-C4' energy: -42.330
flat angles C4'-P-C4' energy: -47.258
flat angles P-C4'-P energy: -22.969
tors. eta vs tors. theta energy: -37.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -645.940937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.940937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.940937 (E_RNA)
where:
Base-Base interactions energy: -434.473
where: short stacking energy: -180.670
Base-Backbone interact. energy: 1.394
local terms energy: -212.861384
where:
bonds (distance) C4'-P energy: -47.580
bonds (distance) P-C4' energy: -41.371
flat angles C4'-P-C4' energy: -48.833
flat angles P-C4'-P energy: -28.196
tors. eta vs tors. theta energy: -46.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -499.796543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.796543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.796543 (E_RNA)
where:
Base-Base interactions energy: -305.404
where: short stacking energy: -141.795
Base-Backbone interact. energy: -2.101
local terms energy: -192.291729
where:
bonds (distance) C4'-P energy: -51.943
bonds (distance) P-C4' energy: -41.428
flat angles C4'-P-C4' energy: -48.490
flat angles P-C4'-P energy: -26.691
tors. eta vs tors. theta energy: -23.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -493.984305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.984305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.984305 (E_RNA)
where:
Base-Base interactions energy: -318.393
where: short stacking energy: -133.999
Base-Backbone interact. energy: -1.150
local terms energy: -174.440809
where:
bonds (distance) C4'-P energy: -54.704
bonds (distance) P-C4' energy: -43.437
flat angles C4'-P-C4' energy: -35.096
flat angles P-C4'-P energy: -23.757
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -982.743871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.743871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.743871 (E_RNA)
where:
Base-Base interactions energy: -697.071
where: short stacking energy: -297.700
Base-Backbone interact. energy: -1.387
local terms energy: -284.286315
where:
bonds (distance) C4'-P energy: -47.576
bonds (distance) P-C4' energy: -47.203
flat angles C4'-P-C4' energy: -63.804
flat angles P-C4'-P energy: -41.410
tors. eta vs tors. theta energy: -84.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -935.313838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.313838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.313838 (E_RNA)
where:
Base-Base interactions energy: -651.782
where: short stacking energy: -262.870
Base-Backbone interact. energy: 1.148
local terms energy: -284.679472
where:
bonds (distance) C4'-P energy: -48.638
bonds (distance) P-C4' energy: -47.121
flat angles C4'-P-C4' energy: -64.270
flat angles P-C4'-P energy: -48.917
tors. eta vs tors. theta energy: -75.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -936.583691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.583691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.583691 (E_RNA)
where:
Base-Base interactions energy: -656.095
where: short stacking energy: -266.208
Base-Backbone interact. energy: -0.642
local terms energy: -279.846678
where:
bonds (distance) C4'-P energy: -51.721
bonds (distance) P-C4' energy: -55.261
flat angles C4'-P-C4' energy: -50.742
flat angles P-C4'-P energy: -47.340
tors. eta vs tors. theta energy: -74.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -861.098958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.098958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.098958 (E_RNA)
where:
Base-Base interactions energy: -603.240
where: short stacking energy: -245.452
Base-Backbone interact. energy: -0.337
local terms energy: -257.521989
where:
bonds (distance) C4'-P energy: -48.293
bonds (distance) P-C4' energy: -46.839
flat angles C4'-P-C4' energy: -57.442
flat angles P-C4'-P energy: -38.269
tors. eta vs tors. theta energy: -66.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -854.008836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.008836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.008836 (E_RNA)
where:
Base-Base interactions energy: -590.398
where: short stacking energy: -250.183
Base-Backbone interact. energy: -0.274
local terms energy: -263.337375
where:
bonds (distance) C4'-P energy: -52.929
bonds (distance) P-C4' energy: -43.857
flat angles C4'-P-C4' energy: -55.669
flat angles P-C4'-P energy: -40.891
tors. eta vs tors. theta energy: -69.992
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: 486
Temperature: 1.150000
Total energy: -786.244191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.244191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.244191 (E_RNA)
where:
Base-Base interactions energy: -549.343
where: short stacking energy: -219.885
Base-Backbone interact. energy: -1.815
local terms energy: -235.085940
where:
bonds (distance) C4'-P energy: -55.611
bonds (distance) P-C4' energy: -50.367
flat angles C4'-P-C4' energy: -40.856
flat angles P-C4'-P energy: -33.834
tors. eta vs tors. theta energy: -54.418
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: 7, replica: 8
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -662.581910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.581910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.581910 (E_RNA)
where:
Base-Base interactions energy: -448.399
where: short stacking energy: -184.462
Base-Backbone interact. energy: 2.113
local terms energy: -216.295697
where:
bonds (distance) C4'-P energy: -50.170
bonds (distance) P-C4' energy: -40.509
flat angles C4'-P-C4' energy: -56.306
flat angles P-C4'-P energy: -27.070
tors. eta vs tors. theta energy: -42.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -641.647684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.647684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.647684 (E_RNA)
where:
Base-Base interactions energy: -427.298
where: short stacking energy: -174.875
Base-Backbone interact. energy: 0.937
local terms energy: -215.286630
where:
bonds (distance) C4'-P energy: -49.774
bonds (distance) P-C4' energy: -47.554
flat angles C4'-P-C4' energy: -42.710
flat angles P-C4'-P energy: -20.624
tors. eta vs tors. theta energy: -54.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -515.585335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.585335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.585335 (E_RNA)
where:
Base-Base interactions energy: -322.155
where: short stacking energy: -151.899
Base-Backbone interact. energy: -1.158
local terms energy: -192.272736
where:
bonds (distance) C4'-P energy: -51.920
bonds (distance) P-C4' energy: -43.126
flat angles C4'-P-C4' energy: -45.744
flat angles P-C4'-P energy: -21.841
tors. eta vs tors. theta energy: -29.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -484.719466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.719466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.719466 (E_RNA)
where:
Base-Base interactions energy: -294.705
where: short stacking energy: -144.941
Base-Backbone interact. energy: -0.533
local terms energy: -189.480808
where:
bonds (distance) C4'-P energy: -39.773
bonds (distance) P-C4' energy: -44.336
flat angles C4'-P-C4' energy: -47.818
flat angles P-C4'-P energy: -25.046
tors. eta vs tors. theta energy: -32.508
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: 1, replica: 5
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -987.661527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.661527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.661527 (E_RNA)
where:
Base-Base interactions energy: -696.093
where: short stacking energy: -283.628
Base-Backbone interact. energy: -3.103
local terms energy: -288.464872
where:
bonds (distance) C4'-P energy: -49.492
bonds (distance) P-C4' energy: -51.009
flat angles C4'-P-C4' energy: -62.785
flat angles P-C4'-P energy: -39.698
tors. eta vs tors. theta energy: -85.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -933.695389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.695389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.695389 (E_RNA)
where:
Base-Base interactions energy: -656.684
where: short stacking energy: -268.476
Base-Backbone interact. energy: -1.567
local terms energy: -275.444765
where:
bonds (distance) C4'-P energy: -47.219
bonds (distance) P-C4' energy: -57.248
flat angles C4'-P-C4' energy: -56.423
flat angles P-C4'-P energy: -42.610
tors. eta vs tors. theta energy: -71.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -915.503011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.503011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.503011 (E_RNA)
where:
Base-Base interactions energy: -644.752
where: short stacking energy: -280.411
Base-Backbone interact. energy: -1.607
local terms energy: -269.143906
where:
bonds (distance) C4'-P energy: -43.950
bonds (distance) P-C4' energy: -61.364
flat angles C4'-P-C4' energy: -54.283
flat angles P-C4'-P energy: -35.801
tors. eta vs tors. theta energy: -73.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -882.005633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.005633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.005633 (E_RNA)
where:
Base-Base interactions energy: -615.885
where: short stacking energy: -254.892
Base-Backbone interact. energy: -0.168
local terms energy: -265.953089
where:
bonds (distance) C4'-P energy: -46.116
bonds (distance) P-C4' energy: -54.969
flat angles C4'-P-C4' energy: -54.658
flat angles P-C4'-P energy: -32.079
tors. eta vs tors. theta energy: -78.131
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: 1
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -838.744461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.744461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.744461 (E_RNA)
where:
Base-Base interactions energy: -592.134
where: short stacking energy: -254.210
Base-Backbone interact. energy: 0.975
local terms energy: -247.584861
where:
bonds (distance) C4'-P energy: -46.492
bonds (distance) P-C4' energy: -49.614
flat angles C4'-P-C4' energy: -56.842
flat angles P-C4'-P energy: -18.183
tors. eta vs tors. theta energy: -76.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -803.632921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.632921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.632921 (E_RNA)
where:
Base-Base interactions energy: -546.497
where: short stacking energy: -224.736
Base-Backbone interact. energy: 0.219
local terms energy: -257.355632
where:
bonds (distance) C4'-P energy: -45.148
bonds (distance) P-C4' energy: -60.371
flat angles C4'-P-C4' energy: -51.908
flat angles P-C4'-P energy: -41.157
tors. eta vs tors. theta energy: -58.773
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: 8
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -688.752944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.752944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.752944 (E_RNA)
where:
Base-Base interactions energy: -459.070
where: short stacking energy: -192.179
Base-Backbone interact. energy: -0.330
local terms energy: -229.353184
where:
bonds (distance) C4'-P energy: -46.310
bonds (distance) P-C4' energy: -52.998
flat angles C4'-P-C4' energy: -52.842
flat angles P-C4'-P energy: -35.003
tors. eta vs tors. theta energy: -42.200
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: 9
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -655.289070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.289070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.289070 (E_RNA)
where:
Base-Base interactions energy: -442.187
where: short stacking energy: -170.375
Base-Backbone interact. energy: 0.014
local terms energy: -213.116584
where:
bonds (distance) C4'-P energy: -43.007
bonds (distance) P-C4' energy: -45.154
flat angles C4'-P-C4' energy: -50.767
flat angles P-C4'-P energy: -31.588
tors. eta vs tors. theta energy: -42.600
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: 7
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -493.236721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.236721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.236721 (E_RNA)
where:
Base-Base interactions energy: -313.823
where: short stacking energy: -138.195
Base-Backbone interact. energy: 0.349
local terms energy: -179.763244
where:
bonds (distance) C4'-P energy: -53.928
bonds (distance) P-C4' energy: -31.025
flat angles C4'-P-C4' energy: -43.118
flat angles P-C4'-P energy: -33.439
tors. eta vs tors. theta energy: -18.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -510.454422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.454422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.454422 (E_RNA)
where:
Base-Base interactions energy: -317.300
where: short stacking energy: -157.606
Base-Backbone interact. energy: 0.519
local terms energy: -193.672914
where:
bonds (distance) C4'-P energy: -45.190
bonds (distance) P-C4' energy: -35.499
flat angles C4'-P-C4' energy: -46.802
flat angles P-C4'-P energy: -26.539
tors. eta vs tors. theta energy: -39.642
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: 4
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -939.549789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.549789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.549789 (E_RNA)
where:
Base-Base interactions energy: -651.401
where: short stacking energy: -277.446
Base-Backbone interact. energy: -2.767
local terms energy: -285.381473
where:
bonds (distance) C4'-P energy: -61.012
bonds (distance) P-C4' energy: -51.207
flat angles C4'-P-C4' energy: -55.637
flat angles P-C4'-P energy: -44.604
tors. eta vs tors. theta energy: -72.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -967.566816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.566816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.566816 (E_RNA)
where:
Base-Base interactions energy: -676.912
where: short stacking energy: -272.098
Base-Backbone interact. energy: -0.523
local terms energy: -290.132104
where:
bonds (distance) C4'-P energy: -57.761
bonds (distance) P-C4' energy: -45.612
flat angles C4'-P-C4' energy: -63.096
flat angles P-C4'-P energy: -41.394
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: 3, replica: 10
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -936.382314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.382314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.382314 (E_RNA)
where:
Base-Base interactions energy: -663.681
where: short stacking energy: -274.087
Base-Backbone interact. energy: -1.437
local terms energy: -271.264056
where:
bonds (distance) C4'-P energy: -51.491
bonds (distance) P-C4' energy: -51.475
flat angles C4'-P-C4' energy: -55.149
flat angles P-C4'-P energy: -33.798
tors. eta vs tors. theta energy: -79.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -875.393463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.393463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.393463 (E_RNA)
where:
Base-Base interactions energy: -593.712
where: short stacking energy: -256.417
Base-Backbone interact. energy: 0.604
local terms energy: -282.285271
where:
bonds (distance) C4'-P energy: -41.678
bonds (distance) P-C4' energy: -58.971
flat angles C4'-P-C4' energy: -59.717
flat angles P-C4'-P energy: -43.840
tors. eta vs tors. theta energy: -78.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -823.330559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.330559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.330559 (E_RNA)
where:
Base-Base interactions energy: -565.127
where: short stacking energy: -236.102
Base-Backbone interact. energy: -0.804
local terms energy: -257.400054
where:
bonds (distance) C4'-P energy: -45.469
bonds (distance) P-C4' energy: -56.331
flat angles C4'-P-C4' energy: -50.180
flat angles P-C4'-P energy: -39.838
tors. eta vs tors. theta energy: -65.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -802.668075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.668075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.668075 (E_RNA)
where:
Base-Base interactions energy: -576.018
where: short stacking energy: -224.410
Base-Backbone interact. energy: -0.612
local terms energy: -226.038216
where:
bonds (distance) C4'-P energy: -44.282
bonds (distance) P-C4' energy: -42.588
flat angles C4'-P-C4' energy: -41.131
flat angles P-C4'-P energy: -35.759
tors. eta vs tors. theta energy: -62.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -667.626236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.626236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.626236 (E_RNA)
where:
Base-Base interactions energy: -451.331
where: short stacking energy: -161.659
Base-Backbone interact. energy: 0.733
local terms energy: -217.028365
where:
bonds (distance) C4'-P energy: -54.822
bonds (distance) P-C4' energy: -48.882
flat angles C4'-P-C4' energy: -41.932
flat angles P-C4'-P energy: -31.721
tors. eta vs tors. theta energy: -39.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -689.240885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.240885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.240885 (E_RNA)
where:
Base-Base interactions energy: -456.672
where: short stacking energy: -194.298
Base-Backbone interact. energy: -0.742
local terms energy: -231.827280
where:
bonds (distance) C4'-P energy: -46.748
bonds (distance) P-C4' energy: -51.065
flat angles C4'-P-C4' energy: -46.052
flat angles P-C4'-P energy: -40.803
tors. eta vs tors. theta energy: -47.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -556.436224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.436224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.436224 (E_RNA)
where:
Base-Base interactions energy: -373.026
where: short stacking energy: -163.716
Base-Backbone interact. energy: -1.539
local terms energy: -181.870789
where:
bonds (distance) C4'-P energy: -41.086
bonds (distance) P-C4' energy: -43.064
flat angles C4'-P-C4' energy: -43.132
flat angles P-C4'-P energy: -29.696
tors. eta vs tors. theta energy: -24.893
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: 7
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -493.789024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.789024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.789024 (E_RNA)
where:
Base-Base interactions energy: -318.556
where: short stacking energy: -160.410
Base-Backbone interact. energy: -0.109
local terms energy: -175.123776
where:
bonds (distance) C4'-P energy: -40.472
bonds (distance) P-C4' energy: -42.157
flat angles C4'-P-C4' energy: -40.234
flat angles P-C4'-P energy: -24.201
tors. eta vs tors. theta energy: -28.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -956.920311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.920311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.920311 (E_RNA)
where:
Base-Base interactions energy: -670.770
where: short stacking energy: -278.737
Base-Backbone interact. energy: -0.186
local terms energy: -285.964589
where:
bonds (distance) C4'-P energy: -52.360
bonds (distance) P-C4' energy: -56.163
flat angles C4'-P-C4' energy: -55.828
flat angles P-C4'-P energy: -43.851
tors. eta vs tors. theta energy: -77.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -950.377800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.377800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.377800 (E_RNA)
where:
Base-Base interactions energy: -672.748
where: short stacking energy: -286.002
Base-Backbone interact. energy: -2.489
local terms energy: -275.141279
where:
bonds (distance) C4'-P energy: -47.513
bonds (distance) P-C4' energy: -40.541
flat angles C4'-P-C4' energy: -58.762
flat angles P-C4'-P energy: -47.565
tors. eta vs tors. theta energy: -80.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -931.639488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.639488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.639488 (E_RNA)
where:
Base-Base interactions energy: -661.703
where: short stacking energy: -275.488
Base-Backbone interact. energy: -0.971
local terms energy: -268.965686
where:
bonds (distance) C4'-P energy: -48.156
bonds (distance) P-C4' energy: -31.892
flat angles C4'-P-C4' energy: -63.856
flat angles P-C4'-P energy: -44.531
tors. eta vs tors. theta energy: -80.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -851.177364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.177364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.177364 (E_RNA)
where:
Base-Base interactions energy: -597.752
where: short stacking energy: -242.791
Base-Backbone interact. energy: -0.554
local terms energy: -252.872187
where:
bonds (distance) C4'-P energy: -51.149
bonds (distance) P-C4' energy: -38.706
flat angles C4'-P-C4' energy: -60.824
flat angles P-C4'-P energy: -37.220
tors. eta vs tors. theta energy: -64.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -812.544433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.544433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.544433 (E_RNA)
where:
Base-Base interactions energy: -565.296
where: short stacking energy: -224.554
Base-Backbone interact. energy: -1.375
local terms energy: -245.874133
where:
bonds (distance) C4'-P energy: -47.163
bonds (distance) P-C4' energy: -53.082
flat angles C4'-P-C4' energy: -45.084
flat angles P-C4'-P energy: -41.330
tors. eta vs tors. theta energy: -59.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -785.511808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.511808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.511808 (E_RNA)
where:
Base-Base interactions energy: -559.413
where: short stacking energy: -229.220
Base-Backbone interact. energy: -0.183
local terms energy: -225.915422
where:
bonds (distance) C4'-P energy: -38.428
bonds (distance) P-C4' energy: -50.421
flat angles C4'-P-C4' energy: -44.565
flat angles P-C4'-P energy: -31.526
tors. eta vs tors. theta energy: -60.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -644.872145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.872145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.872145 (E_RNA)
where:
Base-Base interactions energy: -431.286
where: short stacking energy: -181.116
Base-Backbone interact. energy: -0.302
local terms energy: -213.284090
where:
bonds (distance) C4'-P energy: -41.472
bonds (distance) P-C4' energy: -51.531
flat angles C4'-P-C4' energy: -51.152
flat angles P-C4'-P energy: -32.100
tors. eta vs tors. theta energy: -37.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -700.864720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.864720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.864720 (E_RNA)
where:
Base-Base interactions energy: -472.869
where: short stacking energy: -211.724
Base-Backbone interact. energy: 0.035
local terms energy: -228.031068
where:
bonds (distance) C4'-P energy: -35.145
bonds (distance) P-C4' energy: -53.589
flat angles C4'-P-C4' energy: -50.425
flat angles P-C4'-P energy: -39.216
tors. eta vs tors. theta energy: -49.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -535.032857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.032857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.032857 (E_RNA)
where:
Base-Base interactions energy: -341.612
where: short stacking energy: -147.156
Base-Backbone interact. energy: -1.349
local terms energy: -192.072182
where:
bonds (distance) C4'-P energy: -41.969
bonds (distance) P-C4' energy: -35.934
flat angles C4'-P-C4' energy: -46.415
flat angles P-C4'-P energy: -33.990
tors. eta vs tors. theta energy: -33.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -474.060820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.060820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.060820 (E_RNA)
where:
Base-Base interactions energy: -300.902
where: short stacking energy: -156.024
Base-Backbone interact. energy: 6.503
local terms energy: -179.661446
where:
bonds (distance) C4'-P energy: -48.088
bonds (distance) P-C4' energy: -36.368
flat angles C4'-P-C4' energy: -38.127
flat angles P-C4'-P energy: -27.162
tors. eta vs tors. theta energy: -29.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -959.534400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.534400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.534400 (E_RNA)
where:
Base-Base interactions energy: -664.680
where: short stacking energy: -278.548
Base-Backbone interact. energy: -1.426
local terms energy: -293.428703
where:
bonds (distance) C4'-P energy: -52.851
bonds (distance) P-C4' energy: -57.893
flat angles C4'-P-C4' energy: -62.110
flat angles P-C4'-P energy: -42.870
tors. eta vs tors. theta energy: -77.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -952.138630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.138630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.138630 (E_RNA)
where:
Base-Base interactions energy: -676.072
where: short stacking energy: -271.458
Base-Backbone interact. energy: -2.468
local terms energy: -273.598000
where:
bonds (distance) C4'-P energy: -49.232
bonds (distance) P-C4' energy: -50.276
flat angles C4'-P-C4' energy: -50.923
flat angles P-C4'-P energy: -42.905
tors. eta vs tors. theta energy: -80.262
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: 10
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -913.324696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.324696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.324696 (E_RNA)
where:
Base-Base interactions energy: -655.275
where: short stacking energy: -249.342
Base-Backbone interact. energy: -1.657
local terms energy: -256.393176
where:
bonds (distance) C4'-P energy: -46.671
bonds (distance) P-C4' energy: -48.550
flat angles C4'-P-C4' energy: -54.956
flat angles P-C4'-P energy: -31.554
tors. eta vs tors. theta energy: -74.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -867.023464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.023464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.023464 (E_RNA)
where:
Base-Base interactions energy: -607.387
where: short stacking energy: -250.294
Base-Backbone interact. energy: -0.551
local terms energy: -259.086388
where:
bonds (distance) C4'-P energy: -40.488
bonds (distance) P-C4' energy: -52.603
flat angles C4'-P-C4' energy: -58.793
flat angles P-C4'-P energy: -41.233
tors. eta vs tors. theta energy: -65.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -812.218581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.218581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.218581 (E_RNA)
where:
Base-Base interactions energy: -553.827
where: short stacking energy: -217.513
Base-Backbone interact. energy: -1.756
local terms energy: -256.635410
where:
bonds (distance) C4'-P energy: -53.621
bonds (distance) P-C4' energy: -50.267
flat angles C4'-P-C4' energy: -60.206
flat angles P-C4'-P energy: -41.265
tors. eta vs tors. theta energy: -51.277
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: 490
Temperature: 1.150000
Total energy: -773.441579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.441579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.441579 (E_RNA)
where:
Base-Base interactions energy: -547.995
where: short stacking energy: -224.821
Base-Backbone interact. energy: 0.961
local terms energy: -226.408417
where:
bonds (distance) C4'-P energy: -41.811
bonds (distance) P-C4' energy: -39.761
flat angles C4'-P-C4' energy: -53.021
flat angles P-C4'-P energy: -40.004
tors. eta vs tors. theta energy: -51.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -671.541955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.541955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.541955 (E_RNA)
where:
Base-Base interactions energy: -441.655
where: short stacking energy: -175.707
Base-Backbone interact. energy: -1.182
local terms energy: -228.705453
where:
bonds (distance) C4'-P energy: -50.523
bonds (distance) P-C4' energy: -46.928
flat angles C4'-P-C4' energy: -50.903
flat angles P-C4'-P energy: -40.119
tors. eta vs tors. theta energy: -40.232
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: 9
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -660.826472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.826472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.826472 (E_RNA)
where:
Base-Base interactions energy: -440.931
where: short stacking energy: -174.233
Base-Backbone interact. energy: -2.636
local terms energy: -217.259419
where:
bonds (distance) C4'-P energy: -43.904
bonds (distance) P-C4' energy: -53.261
flat angles C4'-P-C4' energy: -50.450
flat angles P-C4'-P energy: -30.959
tors. eta vs tors. theta energy: -38.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -527.998870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.998870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.998870 (E_RNA)
where:
Base-Base interactions energy: -341.277
where: short stacking energy: -152.526
Base-Backbone interact. energy: -0.703
local terms energy: -186.018371
where:
bonds (distance) C4'-P energy: -39.221
bonds (distance) P-C4' energy: -56.299
flat angles C4'-P-C4' energy: -39.678
flat angles P-C4'-P energy: -30.379
tors. eta vs tors. theta energy: -20.441
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: 7
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -453.649941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.649941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.649941 (E_RNA)
where:
Base-Base interactions energy: -264.649
where: short stacking energy: -121.348
Base-Backbone interact. energy: -1.093
local terms energy: -187.908616
where:
bonds (distance) C4'-P energy: -44.970
bonds (distance) P-C4' energy: -61.441
flat angles C4'-P-C4' energy: -40.178
flat angles P-C4'-P energy: -26.026
tors. eta vs tors. theta energy: -15.294
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: 4
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -966.400082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.400082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.400082 (E_RNA)
where:
Base-Base interactions energy: -679.247
where: short stacking energy: -280.331
Base-Backbone interact. energy: -1.588
local terms energy: -285.565185
where:
bonds (distance) C4'-P energy: -54.489
bonds (distance) P-C4' energy: -46.121
flat angles C4'-P-C4' energy: -65.706
flat angles P-C4'-P energy: -38.887
tors. eta vs tors. theta energy: -80.362
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: 10
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -946.847971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.847971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.847971 (E_RNA)
where:
Base-Base interactions energy: -670.915
where: short stacking energy: -265.011
Base-Backbone interact. energy: -1.739
local terms energy: -274.193350
where:
bonds (distance) C4'-P energy: -57.032
bonds (distance) P-C4' energy: -56.793
flat angles C4'-P-C4' energy: -55.525
flat angles P-C4'-P energy: -31.176
tors. eta vs tors. theta energy: -73.667
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: 5
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -941.852343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.852343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.852343 (E_RNA)
where:
Base-Base interactions energy: -677.167
where: short stacking energy: -280.775
Base-Backbone interact. energy: 1.428
local terms energy: -266.113609
where:
bonds (distance) C4'-P energy: -45.516
bonds (distance) P-C4' energy: -44.833
flat angles C4'-P-C4' energy: -57.958
flat angles P-C4'-P energy: -40.442
tors. eta vs tors. theta energy: -77.365
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: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -851.059543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.059543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.059543 (E_RNA)
where:
Base-Base interactions energy: -588.564
where: short stacking energy: -253.993
Base-Backbone interact. energy: -0.401
local terms energy: -262.093740
where:
bonds (distance) C4'-P energy: -43.364
bonds (distance) P-C4' energy: -52.606
flat angles C4'-P-C4' energy: -63.735
flat angles P-C4'-P energy: -32.231
tors. eta vs tors. theta energy: -70.157
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: 1
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -816.946511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.946511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.946511 (E_RNA)
where:
Base-Base interactions energy: -572.987
where: short stacking energy: -236.612
Base-Backbone interact. energy: -0.588
local terms energy: -243.371926
where:
bonds (distance) C4'-P energy: -47.202
bonds (distance) P-C4' energy: -53.829
flat angles C4'-P-C4' energy: -53.644
flat angles P-C4'-P energy: -27.228
tors. eta vs tors. theta energy: -61.469
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: 6
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -796.723450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.723450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.723450 (E_RNA)
where:
Base-Base interactions energy: -548.475
where: short stacking energy: -227.500
Base-Backbone interact. energy: 3.276
local terms energy: -251.524347
where:
bonds (distance) C4'-P energy: -41.956
bonds (distance) P-C4' energy: -49.052
flat angles C4'-P-C4' energy: -60.936
flat angles P-C4'-P energy: -41.949
tors. eta vs tors. theta energy: -57.631
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: 491
Temperature: 1.200000
Total energy: -693.690471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.690471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.690471 (E_RNA)
where:
Base-Base interactions energy: -459.660
where: short stacking energy: -201.579
Base-Backbone interact. energy: -3.508
local terms energy: -230.522549
where:
bonds (distance) C4'-P energy: -44.178
bonds (distance) P-C4' energy: -53.648
flat angles C4'-P-C4' energy: -50.755
flat angles P-C4'-P energy: -38.750
tors. eta vs tors. theta energy: -43.192
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: 9
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -652.721525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.721525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.721525 (E_RNA)
where:
Base-Base interactions energy: -443.625
where: short stacking energy: -187.127
Base-Backbone interact. energy: 0.922
local terms energy: -210.019136
where:
bonds (distance) C4'-P energy: -51.952
bonds (distance) P-C4' energy: -45.857
flat angles C4'-P-C4' energy: -47.852
flat angles P-C4'-P energy: -26.161
tors. eta vs tors. theta energy: -38.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -556.587363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.587363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.587363 (E_RNA)
where:
Base-Base interactions energy: -388.302
where: short stacking energy: -180.966
Base-Backbone interact. energy: -0.798
local terms energy: -167.488136
where:
bonds (distance) C4'-P energy: -27.435
bonds (distance) P-C4' energy: -33.817
flat angles C4'-P-C4' energy: -41.793
flat angles P-C4'-P energy: -33.840
tors. eta vs tors. theta energy: -30.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -443.607292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.607292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.607292 (E_RNA)
where:
Base-Base interactions energy: -272.382
where: short stacking energy: -125.250
Base-Backbone interact. energy: 0.592
local terms energy: -171.817106
where:
bonds (distance) C4'-P energy: -37.274
bonds (distance) P-C4' energy: -41.429
flat angles C4'-P-C4' energy: -41.382
flat angles P-C4'-P energy: -37.887
tors. eta vs tors. theta energy: -13.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -966.949127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.949127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.949127 (E_RNA)
where:
Base-Base interactions energy: -670.403
where: short stacking energy: -270.001
Base-Backbone interact. energy: -1.061
local terms energy: -295.484281
where:
bonds (distance) C4'-P energy: -56.507
bonds (distance) P-C4' energy: -58.926
flat angles C4'-P-C4' energy: -57.946
flat angles P-C4'-P energy: -42.303
tors. eta vs tors. theta energy: -79.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -964.665770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.665770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.665770 (E_RNA)
where:
Base-Base interactions energy: -672.921
where: short stacking energy: -280.016
Base-Backbone interact. energy: 0.303
local terms energy: -292.047920
where:
bonds (distance) C4'-P energy: -53.985
bonds (distance) P-C4' energy: -55.021
flat angles C4'-P-C4' energy: -63.465
flat angles P-C4'-P energy: -41.045
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: 3, replica: 5
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -933.054918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.054918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.054918 (E_RNA)
where:
Base-Base interactions energy: -654.206
where: short stacking energy: -262.747
Base-Backbone interact. energy: -1.666
local terms energy: -277.182282
where:
bonds (distance) C4'-P energy: -49.190
bonds (distance) P-C4' energy: -50.019
flat angles C4'-P-C4' energy: -60.682
flat angles P-C4'-P energy: -35.568
tors. eta vs tors. theta energy: -81.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -882.027486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.027486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.027486 (E_RNA)
where:
Base-Base interactions energy: -612.493
where: short stacking energy: -252.058
Base-Backbone interact. energy: 0.769
local terms energy: -270.303495
where:
bonds (distance) C4'-P energy: -46.235
bonds (distance) P-C4' energy: -55.462
flat angles C4'-P-C4' energy: -53.086
flat angles P-C4'-P energy: -43.021
tors. eta vs tors. theta energy: -72.499
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: 1
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -846.554440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.554440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.554440 (E_RNA)
where:
Base-Base interactions energy: -585.018
where: short stacking energy: -235.138
Base-Backbone interact. energy: -0.304
local terms energy: -261.231921
where:
bonds (distance) C4'-P energy: -50.041
bonds (distance) P-C4' energy: -48.190
flat angles C4'-P-C4' energy: -56.236
flat angles P-C4'-P energy: -36.562
tors. eta vs tors. theta energy: -70.202
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: 6, replica: 6
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -781.461783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.461783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.461783 (E_RNA)
where:
Base-Base interactions energy: -545.281
where: short stacking energy: -234.040
Base-Backbone interact. energy: 0.102
local terms energy: -236.283206
where:
bonds (distance) C4'-P energy: -42.111
bonds (distance) P-C4' energy: -45.546
flat angles C4'-P-C4' energy: -52.079
flat angles P-C4'-P energy: -40.347
tors. eta vs tors. theta energy: -56.201
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: 8
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -728.423220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.423220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.423220 (E_RNA)
where:
Base-Base interactions energy: -491.018
where: short stacking energy: -214.127
Base-Backbone interact. energy: -1.541
local terms energy: -235.863975
where:
bonds (distance) C4'-P energy: -45.916
bonds (distance) P-C4' energy: -45.308
flat angles C4'-P-C4' energy: -53.461
flat angles P-C4'-P energy: -32.965
tors. eta vs tors. theta energy: -58.214
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: 9
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -648.441704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.441704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.441704 (E_RNA)
where:
Base-Base interactions energy: -445.092
where: short stacking energy: -194.017
Base-Backbone interact. energy: 3.936
local terms energy: -207.286571
where:
bonds (distance) C4'-P energy: -45.637
bonds (distance) P-C4' energy: -37.287
flat angles C4'-P-C4' energy: -41.825
flat angles P-C4'-P energy: -29.645
tors. eta vs tors. theta energy: -52.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -531.504429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.504429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.504429 (E_RNA)
where:
Base-Base interactions energy: -324.329
where: short stacking energy: -155.902
Base-Backbone interact. energy: -1.197
local terms energy: -205.978188
where:
bonds (distance) C4'-P energy: -48.685
bonds (distance) P-C4' energy: -48.024
flat angles C4'-P-C4' energy: -51.063
flat angles P-C4'-P energy: -24.523
tors. eta vs tors. theta energy: -33.683
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: 7
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -469.046267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.046267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.046267 (E_RNA)
where:
Base-Base interactions energy: -297.580
where: short stacking energy: -139.804
Base-Backbone interact. energy: -0.004
local terms energy: -171.462593
where:
bonds (distance) C4'-P energy: -25.366
bonds (distance) P-C4' energy: -56.371
flat angles C4'-P-C4' energy: -40.156
flat angles P-C4'-P energy: -24.112
tors. eta vs tors. theta energy: -25.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -977.802182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.802182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.802182 (E_RNA)
where:
Base-Base interactions energy: -685.066
where: short stacking energy: -277.685
Base-Backbone interact. energy: -1.093
local terms energy: -291.643263
where:
bonds (distance) C4'-P energy: -55.755
bonds (distance) P-C4' energy: -60.146
flat angles C4'-P-C4' energy: -58.176
flat angles P-C4'-P energy: -36.146
tors. eta vs tors. theta energy: -81.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -971.888291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.888291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.888291 (E_RNA)
where:
Base-Base interactions energy: -678.936
where: short stacking energy: -281.635
Base-Backbone interact. energy: -2.957
local terms energy: -289.995132
where:
bonds (distance) C4'-P energy: -49.000
bonds (distance) P-C4' energy: -55.702
flat angles C4'-P-C4' energy: -62.859
flat angles P-C4'-P energy: -36.967
tors. eta vs tors. theta energy: -85.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -927.687834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.687834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.687834 (E_RNA)
where:
Base-Base interactions energy: -653.864
where: short stacking energy: -261.001
Base-Backbone interact. energy: -1.027
local terms energy: -272.796580
where:
bonds (distance) C4'-P energy: -53.097
bonds (distance) P-C4' energy: -59.420
flat angles C4'-P-C4' energy: -48.231
flat angles P-C4'-P energy: -38.694
tors. eta vs tors. theta energy: -73.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -862.909143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.909143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.909143 (E_RNA)
where:
Base-Base interactions energy: -600.404
where: short stacking energy: -242.652
Base-Backbone interact. energy: 0.613
local terms energy: -263.118664
where:
bonds (distance) C4'-P energy: -52.651
bonds (distance) P-C4' energy: -53.461
flat angles C4'-P-C4' energy: -52.850
flat angles P-C4'-P energy: -40.137
tors. eta vs tors. theta energy: -64.020
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: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -816.016008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.016008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.016008 (E_RNA)
where:
Base-Base interactions energy: -553.671
where: short stacking energy: -226.190
Base-Backbone interact. energy: 2.000
local terms energy: -264.344513
where:
bonds (distance) C4'-P energy: -50.912
bonds (distance) P-C4' energy: -55.190
flat angles C4'-P-C4' energy: -58.470
flat angles P-C4'-P energy: -39.362
tors. eta vs tors. theta energy: -60.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -728.799685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.799685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.799685 (E_RNA)
where:
Base-Base interactions energy: -496.715
where: short stacking energy: -210.497
Base-Backbone interact. energy: 0.241
local terms energy: -232.325690
where:
bonds (distance) C4'-P energy: -41.448
bonds (distance) P-C4' energy: -51.607
flat angles C4'-P-C4' energy: -56.905
flat angles P-C4'-P energy: -36.638
tors. eta vs tors. theta energy: -45.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -743.751999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.751999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.751999 (E_RNA)
where:
Base-Base interactions energy: -514.039
where: short stacking energy: -205.369
Base-Backbone interact. energy: 0.930
local terms energy: -230.642328
where:
bonds (distance) C4'-P energy: -48.598
bonds (distance) P-C4' energy: -45.897
flat angles C4'-P-C4' energy: -50.446
flat angles P-C4'-P energy: -34.460
tors. eta vs tors. theta energy: -51.242
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: 9
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -642.335838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.335838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.335838 (E_RNA)
where:
Base-Base interactions energy: -432.865
where: short stacking energy: -183.305
Base-Backbone interact. energy: 2.074
local terms energy: -211.544671
where:
bonds (distance) C4'-P energy: -42.292
bonds (distance) P-C4' energy: -42.653
flat angles C4'-P-C4' energy: -49.090
flat angles P-C4'-P energy: -31.198
tors. eta vs tors. theta energy: -46.312
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: 3
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -511.364782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.364782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.364782 (E_RNA)
where:
Base-Base interactions energy: -319.517
where: short stacking energy: -141.314
Base-Backbone interact. energy: -0.756
local terms energy: -191.092253
where:
bonds (distance) C4'-P energy: -41.174
bonds (distance) P-C4' energy: -44.665
flat angles C4'-P-C4' energy: -46.262
flat angles P-C4'-P energy: -34.276
tors. eta vs tors. theta energy: -24.714
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: 7
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -435.083715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.083715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.083715 (E_RNA)
where:
Base-Base interactions energy: -260.297
where: short stacking energy: -129.124
Base-Backbone interact. energy: -0.773
local terms energy: -174.013843
where:
bonds (distance) C4'-P energy: -26.569
bonds (distance) P-C4' energy: -45.553
flat angles C4'-P-C4' energy: -49.773
flat angles P-C4'-P energy: -30.270
tors. eta vs tors. theta energy: -21.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -963.907831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.907831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.907831 (E_RNA)
where:
Base-Base interactions energy: -670.961
where: short stacking energy: -284.852
Base-Backbone interact. energy: -0.296
local terms energy: -292.651477
where:
bonds (distance) C4'-P energy: -52.149
bonds (distance) P-C4' energy: -59.316
flat angles C4'-P-C4' energy: -64.405
flat angles P-C4'-P energy: -37.646
tors. eta vs tors. theta energy: -79.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -966.172727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.172727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.172727 (E_RNA)
where:
Base-Base interactions energy: -686.977
where: short stacking energy: -268.628
Base-Backbone interact. energy: -1.552
local terms energy: -277.643776
where:
bonds (distance) C4'-P energy: -50.303
bonds (distance) P-C4' energy: -52.666
flat angles C4'-P-C4' energy: -53.528
flat angles P-C4'-P energy: -38.512
tors. eta vs tors. theta energy: -82.634
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: 2
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -874.534215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.534215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.534215 (E_RNA)
where:
Base-Base interactions energy: -590.459
where: short stacking energy: -241.208
Base-Backbone interact. energy: -0.990
local terms energy: -283.084584
where:
bonds (distance) C4'-P energy: -52.991
bonds (distance) P-C4' energy: -50.887
flat angles C4'-P-C4' energy: -55.661
flat angles P-C4'-P energy: -47.450
tors. eta vs tors. theta energy: -76.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -896.878383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.878383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.878383 (E_RNA)
where:
Base-Base interactions energy: -648.589
where: short stacking energy: -246.860
Base-Backbone interact. energy: -1.955
local terms energy: -246.334613
where:
bonds (distance) C4'-P energy: -52.714
bonds (distance) P-C4' energy: -43.450
flat angles C4'-P-C4' energy: -48.941
flat angles P-C4'-P energy: -34.132
tors. eta vs tors. theta energy: -67.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -804.180304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.180304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.180304 (E_RNA)
where:
Base-Base interactions energy: -549.908
where: short stacking energy: -224.289
Base-Backbone interact. energy: 0.048
local terms energy: -254.319903
where:
bonds (distance) C4'-P energy: -54.904
bonds (distance) P-C4' energy: -50.319
flat angles C4'-P-C4' energy: -47.512
flat angles P-C4'-P energy: -33.770
tors. eta vs tors. theta energy: -67.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -754.195435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.195435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.195435 (E_RNA)
where:
Base-Base interactions energy: -518.540
where: short stacking energy: -213.205
Base-Backbone interact. energy: -0.717
local terms energy: -234.939159
where:
bonds (distance) C4'-P energy: -45.978
bonds (distance) P-C4' energy: -53.994
flat angles C4'-P-C4' energy: -52.866
flat angles P-C4'-P energy: -33.451
tors. eta vs tors. theta energy: -48.651
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: 7, replica: 9
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -707.092318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.092318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.092318 (E_RNA)
where:
Base-Base interactions energy: -482.703
where: short stacking energy: -197.512
Base-Backbone interact. energy: 2.802
local terms energy: -227.191529
where:
bonds (distance) C4'-P energy: -52.002
bonds (distance) P-C4' energy: -41.973
flat angles C4'-P-C4' energy: -51.379
flat angles P-C4'-P energy: -32.207
tors. eta vs tors. theta energy: -49.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -717.738386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.738386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.738386 (E_RNA)
where:
Base-Base interactions energy: -482.696
where: short stacking energy: -204.215
Base-Backbone interact. energy: -0.939
local terms energy: -234.102830
where:
bonds (distance) C4'-P energy: -37.341
bonds (distance) P-C4' energy: -52.952
flat angles C4'-P-C4' energy: -58.914
flat angles P-C4'-P energy: -32.017
tors. eta vs tors. theta energy: -52.879
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: 3
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -536.958819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.958819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.958819 (E_RNA)
where:
Base-Base interactions energy: -342.100
where: short stacking energy: -138.045
Base-Backbone interact. energy: -1.013
local terms energy: -193.845147
where:
bonds (distance) C4'-P energy: -37.062
bonds (distance) P-C4' energy: -54.885
flat angles C4'-P-C4' energy: -47.655
flat angles P-C4'-P energy: -31.130
tors. eta vs tors. theta energy: -23.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -440.442292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.442292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.442292 (E_RNA)
where:
Base-Base interactions energy: -259.384
where: short stacking energy: -123.623
Base-Backbone interact. energy: -1.360
local terms energy: -179.698572
where:
bonds (distance) C4'-P energy: -33.295
bonds (distance) P-C4' energy: -45.538
flat angles C4'-P-C4' energy: -41.859
flat angles P-C4'-P energy: -31.754
tors. eta vs tors. theta energy: -27.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -970.422581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.422581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.422581 (E_RNA)
where:
Base-Base interactions energy: -678.538
where: short stacking energy: -266.093
Base-Backbone interact. energy: -0.515
local terms energy: -291.369608
where:
bonds (distance) C4'-P energy: -55.716
bonds (distance) P-C4' energy: -52.392
flat angles C4'-P-C4' energy: -55.780
flat angles P-C4'-P energy: -47.529
tors. eta vs tors. theta energy: -79.952
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: 10
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -975.062989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.062989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.062989 (E_RNA)
where:
Base-Base interactions energy: -691.014
where: short stacking energy: -285.781
Base-Backbone interact. energy: -0.993
local terms energy: -283.055721
where:
bonds (distance) C4'-P energy: -52.439
bonds (distance) P-C4' energy: -56.063
flat angles C4'-P-C4' energy: -56.528
flat angles P-C4'-P energy: -39.807
tors. eta vs tors. theta energy: -78.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -906.949369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.949369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.949369 (E_RNA)
where:
Base-Base interactions energy: -626.772
where: short stacking energy: -250.570
Base-Backbone interact. energy: -1.523
local terms energy: -278.654790
where:
bonds (distance) C4'-P energy: -50.022
bonds (distance) P-C4' energy: -57.817
flat angles C4'-P-C4' energy: -55.588
flat angles P-C4'-P energy: -38.651
tors. eta vs tors. theta energy: -76.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -952.362748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.362748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.362748 (E_RNA)
where:
Base-Base interactions energy: -673.053
where: short stacking energy: -261.080
Base-Backbone interact. energy: -1.466
local terms energy: -277.843556
where:
bonds (distance) C4'-P energy: -54.294
bonds (distance) P-C4' energy: -55.024
flat angles C4'-P-C4' energy: -58.769
flat angles P-C4'-P energy: -40.873
tors. eta vs tors. theta energy: -68.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -804.315777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.315777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.315777 (E_RNA)
where:
Base-Base interactions energy: -568.632
where: short stacking energy: -228.640
Base-Backbone interact. energy: 0.349
local terms energy: -236.033054
where:
bonds (distance) C4'-P energy: -52.387
bonds (distance) P-C4' energy: -45.812
flat angles C4'-P-C4' energy: -49.167
flat angles P-C4'-P energy: -35.967
tors. eta vs tors. theta energy: -52.700
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: 9
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -789.342075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.342075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.342075 (E_RNA)
where:
Base-Base interactions energy: -533.764
where: short stacking energy: -215.894
Base-Backbone interact. energy: 0.785
local terms energy: -256.362736
where:
bonds (distance) C4'-P energy: -53.118
bonds (distance) P-C4' energy: -53.753
flat angles C4'-P-C4' energy: -52.196
flat angles P-C4'-P energy: -43.145
tors. eta vs tors. theta energy: -54.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -715.907010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.907010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.907010 (E_RNA)
where:
Base-Base interactions energy: -478.466
where: short stacking energy: -205.314
Base-Backbone interact. energy: -1.578
local terms energy: -235.862784
where:
bonds (distance) C4'-P energy: -45.515
bonds (distance) P-C4' energy: -46.815
flat angles C4'-P-C4' energy: -49.004
flat angles P-C4'-P energy: -43.986
tors. eta vs tors. theta energy: -50.543
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: 6
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -702.955321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.955321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.955321 (E_RNA)
where:
Base-Base interactions energy: -485.253
where: short stacking energy: -196.210
Base-Backbone interact. energy: -1.224
local terms energy: -216.478226
where:
bonds (distance) C4'-P energy: -42.162
bonds (distance) P-C4' energy: -45.634
flat angles C4'-P-C4' energy: -50.864
flat angles P-C4'-P energy: -31.342
tors. eta vs tors. theta energy: -46.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -497.100385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.100385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.100385 (E_RNA)
where:
Base-Base interactions energy: -301.080
where: short stacking energy: -147.085
Base-Backbone interact. energy: -0.790
local terms energy: -195.229885
where:
bonds (distance) C4'-P energy: -36.519
bonds (distance) P-C4' energy: -44.146
flat angles C4'-P-C4' energy: -48.989
flat angles P-C4'-P energy: -35.730
tors. eta vs tors. theta energy: -29.846
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: 7
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -391.550650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.550650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.550650 (E_RNA)
where:
Base-Base interactions energy: -212.382
where: short stacking energy: -110.339
Base-Backbone interact. energy: 0.944
local terms energy: -180.112853
where:
bonds (distance) C4'-P energy: -48.358
bonds (distance) P-C4' energy: -48.655
flat angles C4'-P-C4' energy: -35.284
flat angles P-C4'-P energy: -26.686
tors. eta vs tors. theta energy: -21.130
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: 5
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -956.839693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.839693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.839693 (E_RNA)
where:
Base-Base interactions energy: -662.593
where: short stacking energy: -278.474
Base-Backbone interact. energy: -0.318
local terms energy: -293.929313
where:
bonds (distance) C4'-P energy: -50.932
bonds (distance) P-C4' energy: -55.983
flat angles C4'-P-C4' energy: -65.252
flat angles P-C4'-P energy: -42.307
tors. eta vs tors. theta energy: -79.455
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: 10
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -966.662178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.662178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.662178 (E_RNA)
where:
Base-Base interactions energy: -692.506
where: short stacking energy: -282.257
Base-Backbone interact. energy: 5.515
local terms energy: -279.671013
where:
bonds (distance) C4'-P energy: -51.963
bonds (distance) P-C4' energy: -54.813
flat angles C4'-P-C4' energy: -53.287
flat angles P-C4'-P energy: -38.824
tors. eta vs tors. theta energy: -80.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -910.709374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.709374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.709374 (E_RNA)
where:
Base-Base interactions energy: -643.576
where: short stacking energy: -257.785
Base-Backbone interact. energy: -2.059
local terms energy: -265.074423
where:
bonds (distance) C4'-P energy: -55.163
bonds (distance) P-C4' energy: -44.465
flat angles C4'-P-C4' energy: -55.562
flat angles P-C4'-P energy: -36.487
tors. eta vs tors. theta energy: -73.398
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: 4
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -926.549177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.549177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.549177 (E_RNA)
where:
Base-Base interactions energy: -642.914
where: short stacking energy: -241.265
Base-Backbone interact. energy: -1.840
local terms energy: -281.794901
where:
bonds (distance) C4'-P energy: -55.291
bonds (distance) P-C4' energy: -50.713
flat angles C4'-P-C4' energy: -58.613
flat angles P-C4'-P energy: -45.646
tors. eta vs tors. theta energy: -71.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -811.908913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.908913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.908913 (E_RNA)
where:
Base-Base interactions energy: -571.609
where: short stacking energy: -235.669
Base-Backbone interact. energy: -1.466
local terms energy: -238.834368
where:
bonds (distance) C4'-P energy: -47.580
bonds (distance) P-C4' energy: -49.211
flat angles C4'-P-C4' energy: -48.689
flat angles P-C4'-P energy: -39.781
tors. eta vs tors. theta energy: -53.573
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: 9
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -752.718559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.718559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.718559 (E_RNA)
where:
Base-Base interactions energy: -503.611
where: short stacking energy: -212.927
Base-Backbone interact. energy: -0.504
local terms energy: -248.603005
where:
bonds (distance) C4'-P energy: -52.429
bonds (distance) P-C4' energy: -49.831
flat angles C4'-P-C4' energy: -51.081
flat angles P-C4'-P energy: -35.270
tors. eta vs tors. theta energy: -59.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -733.253219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.253219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.253219 (E_RNA)
where:
Base-Base interactions energy: -503.701
where: short stacking energy: -197.790
Base-Backbone interact. energy: 1.024
local terms energy: -230.576341
where:
bonds (distance) C4'-P energy: -51.044
bonds (distance) P-C4' energy: -52.825
flat angles C4'-P-C4' energy: -50.583
flat angles P-C4'-P energy: -29.344
tors. eta vs tors. theta energy: -46.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -697.887949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.887949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.887949 (E_RNA)
where:
Base-Base interactions energy: -480.182
where: short stacking energy: -194.311
Base-Backbone interact. energy: 1.274
local terms energy: -218.980291
where:
bonds (distance) C4'-P energy: -36.779
bonds (distance) P-C4' energy: -44.055
flat angles C4'-P-C4' energy: -53.563
flat angles P-C4'-P energy: -32.148
tors. eta vs tors. theta energy: -52.435
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: 3
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -502.630864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.630864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.630864 (E_RNA)
where:
Base-Base interactions energy: -329.002
where: short stacking energy: -151.118
Base-Backbone interact. energy: -1.095
local terms energy: -172.533288
where:
bonds (distance) C4'-P energy: -47.579
bonds (distance) P-C4' energy: -37.324
flat angles C4'-P-C4' energy: -36.888
flat angles P-C4'-P energy: -29.022
tors. eta vs tors. theta energy: -21.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -402.620301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.620301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.620301 (E_RNA)
where:
Base-Base interactions energy: -216.797
where: short stacking energy: -132.417
Base-Backbone interact. energy: -0.628
local terms energy: -185.194791
where:
bonds (distance) C4'-P energy: -52.383
bonds (distance) P-C4' energy: -45.126
flat angles C4'-P-C4' energy: -36.319
flat angles P-C4'-P energy: -27.957
tors. eta vs tors. theta energy: -23.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -959.537203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.537203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.537203 (E_RNA)
where:
Base-Base interactions energy: -668.007
where: short stacking energy: -290.269
Base-Backbone interact. energy: -0.550
local terms energy: -290.980129
where:
bonds (distance) C4'-P energy: -49.965
bonds (distance) P-C4' energy: -54.016
flat angles C4'-P-C4' energy: -64.577
flat angles P-C4'-P energy: -49.682
tors. eta vs tors. theta energy: -72.741
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: 10
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -963.173127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.173127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.173127 (E_RNA)
where:
Base-Base interactions energy: -671.722
where: short stacking energy: -286.989
Base-Backbone interact. energy: -1.885
local terms energy: -289.565971
where:
bonds (distance) C4'-P energy: -59.694
bonds (distance) P-C4' energy: -51.929
flat angles C4'-P-C4' energy: -63.490
flat angles P-C4'-P energy: -35.255
tors. eta vs tors. theta energy: -79.198
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: 497
Temperature: 1.000000
Total energy: -900.972285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.972285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.972285 (E_RNA)
where:
Base-Base interactions energy: -619.455
where: short stacking energy: -260.825
Base-Backbone interact. energy: -0.825
local terms energy: -280.692598
where:
bonds (distance) C4'-P energy: -54.872
bonds (distance) P-C4' energy: -52.654
flat angles C4'-P-C4' energy: -60.588
flat angles P-C4'-P energy: -40.882
tors. eta vs tors. theta energy: -71.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -896.982062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.982062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.982062 (E_RNA)
where:
Base-Base interactions energy: -635.753
where: short stacking energy: -248.825
Base-Backbone interact. energy: -0.771
local terms energy: -260.458462
where:
bonds (distance) C4'-P energy: -43.425
bonds (distance) P-C4' energy: -51.947
flat angles C4'-P-C4' energy: -59.630
flat angles P-C4'-P energy: -38.035
tors. eta vs tors. theta energy: -67.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -829.585314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.585314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.585314 (E_RNA)
where:
Base-Base interactions energy: -567.111
where: short stacking energy: -225.686
Base-Backbone interact. energy: -1.172
local terms energy: -261.302137
where:
bonds (distance) C4'-P energy: -50.704
bonds (distance) P-C4' energy: -53.701
flat angles C4'-P-C4' energy: -56.412
flat angles P-C4'-P energy: -37.186
tors. eta vs tors. theta energy: -63.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -778.686691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.686691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.686691 (E_RNA)
where:
Base-Base interactions energy: -531.796
where: short stacking energy: -214.932
Base-Backbone interact. energy: -1.950
local terms energy: -244.940796
where:
bonds (distance) C4'-P energy: -42.377
bonds (distance) P-C4' energy: -45.514
flat angles C4'-P-C4' energy: -55.097
flat angles P-C4'-P energy: -38.295
tors. eta vs tors. theta energy: -63.658
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: 497
Temperature: 1.200000
Total energy: -737.785621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.785621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.785621 (E_RNA)
where:
Base-Base interactions energy: -508.370
where: short stacking energy: -225.566
Base-Backbone interact. energy: -0.005
local terms energy: -229.410653
where:
bonds (distance) C4'-P energy: -53.363
bonds (distance) P-C4' energy: -45.771
flat angles C4'-P-C4' energy: -42.295
flat angles P-C4'-P energy: -31.195
tors. eta vs tors. theta energy: -56.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -724.725147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.725147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.725147 (E_RNA)
where:
Base-Base interactions energy: -494.806
where: short stacking energy: -225.886
Base-Backbone interact. energy: -0.719
local terms energy: -229.199484
where:
bonds (distance) C4'-P energy: -39.722
bonds (distance) P-C4' energy: -45.535
flat angles C4'-P-C4' energy: -53.867
flat angles P-C4'-P energy: -30.008
tors. eta vs tors. theta energy: -60.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -505.585961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.585961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.585961 (E_RNA)
where:
Base-Base interactions energy: -319.088
where: short stacking energy: -166.427
Base-Backbone interact. energy: -0.528
local terms energy: -185.970049
where:
bonds (distance) C4'-P energy: -38.748
bonds (distance) P-C4' energy: -39.561
flat angles C4'-P-C4' energy: -38.411
flat angles P-C4'-P energy: -29.579
tors. eta vs tors. theta energy: -39.672
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: 7
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -384.424602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.424602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.424602 (E_RNA)
where:
Base-Base interactions energy: -206.404
where: short stacking energy: -110.797
Base-Backbone interact. energy: -0.323
local terms energy: -177.697020
where:
bonds (distance) C4'-P energy: -41.264
bonds (distance) P-C4' energy: -40.346
flat angles C4'-P-C4' energy: -49.528
flat angles P-C4'-P energy: -28.018
tors. eta vs tors. theta energy: -18.540
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: 1, replica: 10
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -968.846917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.846917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.846917 (E_RNA)
where:
Base-Base interactions energy: -683.968
where: short stacking energy: -289.102
Base-Backbone interact. energy: 0.268
local terms energy: -285.146115
where:
bonds (distance) C4'-P energy: -54.332
bonds (distance) P-C4' energy: -55.957
flat angles C4'-P-C4' energy: -57.527
flat angles P-C4'-P energy: -38.208
tors. eta vs tors. theta energy: -79.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -967.138188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.138188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.138188 (E_RNA)
where:
Base-Base interactions energy: -671.930
where: short stacking energy: -266.571
Base-Backbone interact. energy: -1.077
local terms energy: -294.131317
where:
bonds (distance) C4'-P energy: -54.996
bonds (distance) P-C4' energy: -50.336
flat angles C4'-P-C4' energy: -66.454
flat angles P-C4'-P energy: -44.214
tors. eta vs tors. theta energy: -78.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -900.889166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.889166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.889166 (E_RNA)
where:
Base-Base interactions energy: -612.089
where: short stacking energy: -268.038
Base-Backbone interact. energy: 0.496
local terms energy: -289.296297
where:
bonds (distance) C4'-P energy: -58.386
bonds (distance) P-C4' energy: -51.518
flat angles C4'-P-C4' energy: -59.472
flat angles P-C4'-P energy: -44.717
tors. eta vs tors. theta energy: -75.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -873.339834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.339834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.339834 (E_RNA)
where:
Base-Base interactions energy: -622.093
where: short stacking energy: -243.408
Base-Backbone interact. energy: -1.795
local terms energy: -249.451930
where:
bonds (distance) C4'-P energy: -29.641
bonds (distance) P-C4' energy: -57.582
flat angles C4'-P-C4' energy: -49.718
flat angles P-C4'-P energy: -45.291
tors. eta vs tors. theta energy: -67.221
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: 5, replica: 1
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -832.435300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.435300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.435300 (E_RNA)
where:
Base-Base interactions energy: -593.759
where: short stacking energy: -222.845
Base-Backbone interact. energy: -0.248
local terms energy: -238.428144
where:
bonds (distance) C4'-P energy: -44.142
bonds (distance) P-C4' energy: -48.575
flat angles C4'-P-C4' energy: -47.179
flat angles P-C4'-P energy: -32.315
tors. eta vs tors. theta energy: -66.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -771.153254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.153254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.153254 (E_RNA)
where:
Base-Base interactions energy: -528.813
where: short stacking energy: -212.753
Base-Backbone interact. energy: -1.238
local terms energy: -241.102931
where:
bonds (distance) C4'-P energy: -54.209
bonds (distance) P-C4' energy: -34.749
flat angles C4'-P-C4' energy: -62.063
flat angles P-C4'-P energy: -29.523
tors. eta vs tors. theta energy: -60.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -711.118107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.118107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.118107 (E_RNA)
where:
Base-Base interactions energy: -492.411
where: short stacking energy: -188.396
Base-Backbone interact. energy: -0.508
local terms energy: -218.198680
where:
bonds (distance) C4'-P energy: -47.637
bonds (distance) P-C4' energy: -46.596
flat angles C4'-P-C4' energy: -39.214
flat angles P-C4'-P energy: -35.212
tors. eta vs tors. theta energy: -49.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -644.207364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.207364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.207364 (E_RNA)
where:
Base-Base interactions energy: -421.441
where: short stacking energy: -192.036
Base-Backbone interact. energy: 1.143
local terms energy: -223.908852
where:
bonds (distance) C4'-P energy: -48.282
bonds (distance) P-C4' energy: -47.602
flat angles C4'-P-C4' energy: -48.863
flat angles P-C4'-P energy: -29.204
tors. eta vs tors. theta energy: -49.958
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: 3
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -514.728828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.728828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.728828 (E_RNA)
where:
Base-Base interactions energy: -331.838
where: short stacking energy: -151.641
Base-Backbone interact. energy: 0.881
local terms energy: -183.771704
where:
bonds (distance) C4'-P energy: -43.763
bonds (distance) P-C4' energy: -40.660
flat angles C4'-P-C4' energy: -42.929
flat angles P-C4'-P energy: -33.815
tors. eta vs tors. theta energy: -22.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -412.615350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.615350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.615350 (E_RNA)
where:
Base-Base interactions energy: -234.996
where: short stacking energy: -132.485
Base-Backbone interact. energy: -0.271
local terms energy: -177.348810
where:
bonds (distance) C4'-P energy: -40.949
bonds (distance) P-C4' energy: -51.546
flat angles C4'-P-C4' energy: -42.872
flat angles P-C4'-P energy: -23.703
tors. eta vs tors. theta energy: -18.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -984.466721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.466721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.466721 (E_RNA)
where:
Base-Base interactions energy: -702.696
where: short stacking energy: -284.216
Base-Backbone interact. energy: -1.154
local terms energy: -280.616734
where:
bonds (distance) C4'-P energy: -49.558
bonds (distance) P-C4' energy: -54.057
flat angles C4'-P-C4' energy: -59.650
flat angles P-C4'-P energy: -38.157
tors. eta vs tors. theta energy: -79.195
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: 2, replica: 2
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -901.960994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.960994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.960994 (E_RNA)
where:
Base-Base interactions energy: -622.300
where: short stacking energy: -268.769
Base-Backbone interact. energy: -1.300
local terms energy: -278.360990
where:
bonds (distance) C4'-P energy: -50.380
bonds (distance) P-C4' energy: -51.286
flat angles C4'-P-C4' energy: -62.858
flat angles P-C4'-P energy: -42.093
tors. eta vs tors. theta energy: -71.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -927.506842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.506842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.506842 (E_RNA)
where:
Base-Base interactions energy: -639.350
where: short stacking energy: -260.508
Base-Backbone interact. energy: -1.751
local terms energy: -286.406696
where:
bonds (distance) C4'-P energy: -56.663
bonds (distance) P-C4' energy: -49.447
flat angles C4'-P-C4' energy: -61.451
flat angles P-C4'-P energy: -46.285
tors. eta vs tors. theta energy: -72.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -892.965710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.965710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.965710 (E_RNA)
where:
Base-Base interactions energy: -613.980
where: short stacking energy: -238.850
Base-Backbone interact. energy: -3.140
local terms energy: -275.845258
where:
bonds (distance) C4'-P energy: -45.150
bonds (distance) P-C4' energy: -58.101
flat angles C4'-P-C4' energy: -59.832
flat angles P-C4'-P energy: -44.782
tors. eta vs tors. theta energy: -67.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -851.867893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.867893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.867893 (E_RNA)
where:
Base-Base interactions energy: -613.857
where: short stacking energy: -243.476
Base-Backbone interact. energy: 2.649
local terms energy: -240.659830
where:
bonds (distance) C4'-P energy: -37.527
bonds (distance) P-C4' energy: -48.329
flat angles C4'-P-C4' energy: -60.981
flat angles P-C4'-P energy: -31.192
tors. eta vs tors. theta energy: -62.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -784.406482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.406482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.406482 (E_RNA)
where:
Base-Base interactions energy: -531.251
where: short stacking energy: -223.951
Base-Backbone interact. energy: -2.004
local terms energy: -251.150920
where:
bonds (distance) C4'-P energy: -43.615
bonds (distance) P-C4' energy: -50.993
flat angles C4'-P-C4' energy: -63.774
flat angles P-C4'-P energy: -32.374
tors. eta vs tors. theta energy: -60.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -697.535116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.535116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.535116 (E_RNA)
where:
Base-Base interactions energy: -461.818
where: short stacking energy: -192.539
Base-Backbone interact. energy: 3.961
local terms energy: -239.678212
where:
bonds (distance) C4'-P energy: -48.302
bonds (distance) P-C4' energy: -55.347
flat angles C4'-P-C4' energy: -55.539
flat angles P-C4'-P energy: -34.437
tors. eta vs tors. theta energy: -46.054
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: 8
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -641.114550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.114550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.114550 (E_RNA)
where:
Base-Base interactions energy: -436.378
where: short stacking energy: -180.599
Base-Backbone interact. energy: -1.824
local terms energy: -202.912196
where:
bonds (distance) C4'-P energy: -42.811
bonds (distance) P-C4' energy: -47.352
flat angles C4'-P-C4' energy: -47.683
flat angles P-C4'-P energy: -29.157
tors. eta vs tors. theta energy: -35.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -553.034207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.034207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.034207 (E_RNA)
where:
Base-Base interactions energy: -362.615
where: short stacking energy: -160.544
Base-Backbone interact. energy: 0.120
local terms energy: -190.538674
where:
bonds (distance) C4'-P energy: -35.826
bonds (distance) P-C4' energy: -54.615
flat angles C4'-P-C4' energy: -32.762
flat angles P-C4'-P energy: -31.576
tors. eta vs tors. theta energy: -35.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -398.202431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.202431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.202431 (E_RNA)
where:
Base-Base interactions energy: -233.053
where: short stacking energy: -116.320
Base-Backbone interact. energy: -2.361
local terms energy: -162.788276
where:
bonds (distance) C4'-P energy: -45.105
bonds (distance) P-C4' energy: -52.357
flat angles C4'-P-C4' energy: -30.566
flat angles P-C4'-P energy: -21.713
tors. eta vs tors. theta energy: -13.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -985.288335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.288335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.288335 (E_RNA)
where:
Base-Base interactions energy: -687.178
where: short stacking energy: -289.355
Base-Backbone interact. energy: 2.333
local terms energy: -300.443486
where:
bonds (distance) C4'-P energy: -47.314
bonds (distance) P-C4' energy: -58.978
flat angles C4'-P-C4' energy: -59.407
flat angles P-C4'-P energy: -44.464
tors. eta vs tors. theta energy: -90.280
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: 500
Temperature: 0.950000
Total energy: -912.235858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.235858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.235858 (E_RNA)
where:
Base-Base interactions energy: -621.388
where: short stacking energy: -263.183
Base-Backbone interact. energy: -0.763
local terms energy: -290.084449
where:
bonds (distance) C4'-P energy: -51.373
bonds (distance) P-C4' energy: -58.370
flat angles C4'-P-C4' energy: -65.342
flat angles P-C4'-P energy: -35.236
tors. eta vs tors. theta energy: -79.763
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: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -938.770865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.770865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.770865 (E_RNA)
where:
Base-Base interactions energy: -658.701
where: short stacking energy: -276.152
Base-Backbone interact. energy: 1.953
local terms energy: -282.023334
where:
bonds (distance) C4'-P energy: -53.345
bonds (distance) P-C4' energy: -53.305
flat angles C4'-P-C4' energy: -58.051
flat angles P-C4'-P energy: -37.735
tors. eta vs tors. theta energy: -79.588
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: 4
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -907.406839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.406839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.406839 (E_RNA)
where:
Base-Base interactions energy: -640.288
where: short stacking energy: -257.893
Base-Backbone interact. energy: -3.775
local terms energy: -263.344059
where:
bonds (distance) C4'-P energy: -50.272
bonds (distance) P-C4' energy: -44.566
flat angles C4'-P-C4' energy: -60.300
flat angles P-C4'-P energy: -40.862
tors. eta vs tors. theta energy: -67.344
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: 1
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -801.334478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.334478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.334478 (E_RNA)
where:
Base-Base interactions energy: -546.511
where: short stacking energy: -233.571
Base-Backbone interact. energy: 0.926
local terms energy: -255.749040
where:
bonds (distance) C4'-P energy: -51.298
bonds (distance) P-C4' energy: -51.760
flat angles C4'-P-C4' energy: -56.163
flat angles P-C4'-P energy: -38.637
tors. eta vs tors. theta energy: -57.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -748.424511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.424511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.424511 (E_RNA)
where:
Base-Base interactions energy: -512.579
where: short stacking energy: -212.634
Base-Backbone interact. energy: 1.532
local terms energy: -237.378193
where:
bonds (distance) C4'-P energy: -44.049
bonds (distance) P-C4' energy: -52.689
flat angles C4'-P-C4' energy: -54.944
flat angles P-C4'-P energy: -37.547
tors. eta vs tors. theta energy: -48.149
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: 6
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -723.884988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.884988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.884988 (E_RNA)
where:
Base-Base interactions energy: -514.756
where: short stacking energy: -207.240
Base-Backbone interact. energy: -1.082
local terms energy: -208.047129
where:
bonds (distance) C4'-P energy: -47.506
bonds (distance) P-C4' energy: -46.066
flat angles C4'-P-C4' energy: -41.117
flat angles P-C4'-P energy: -26.121
tors. eta vs tors. theta energy: -47.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -635.045231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.045231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.045231 (E_RNA)
where:
Base-Base interactions energy: -431.529
where: short stacking energy: -186.668
Base-Backbone interact. energy: -0.472
local terms energy: -203.044752
where:
bonds (distance) C4'-P energy: -49.368
bonds (distance) P-C4' energy: -38.767
flat angles C4'-P-C4' energy: -41.278
flat angles P-C4'-P energy: -35.759
tors. eta vs tors. theta energy: -37.873
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: 3
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -555.624588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.624588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.624588 (E_RNA)
where:
Base-Base interactions energy: -365.384
where: short stacking energy: -175.128
Base-Backbone interact. energy: 1.084
local terms energy: -191.324543
where:
bonds (distance) C4'-P energy: -35.660
bonds (distance) P-C4' energy: -44.261
flat angles C4'-P-C4' energy: -49.955
flat angles P-C4'-P energy: -21.591
tors. eta vs tors. theta energy: -39.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -422.222680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.222680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.222680 (E_RNA)
where:
Base-Base interactions energy: -236.026
where: short stacking energy: -127.852
Base-Backbone interact. energy: -0.772
local terms energy: -185.423968
where:
bonds (distance) C4'-P energy: -49.126
bonds (distance) P-C4' energy: -45.667
flat angles C4'-P-C4' energy: -42.776
flat angles P-C4'-P energy: -32.625
tors. eta vs tors. theta energy: -15.230
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: 10
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -981.219174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.219174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.219174 (E_RNA)
where:
Base-Base interactions energy: -699.442
where: short stacking energy: -275.630
Base-Backbone interact. energy: -0.758
local terms energy: -281.018676
where:
bonds (distance) C4'-P energy: -57.556
bonds (distance) P-C4' energy: -50.680
flat angles C4'-P-C4' energy: -55.852
flat angles P-C4'-P energy: -37.704
tors. eta vs tors. theta energy: -79.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -935.740706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.740706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.740706 (E_RNA)
where:
Base-Base interactions energy: -659.535
where: short stacking energy: -271.169
Base-Backbone interact. energy: -1.573
local terms energy: -274.632702
where:
bonds (distance) C4'-P energy: -50.507
bonds (distance) P-C4' energy: -40.615
flat angles C4'-P-C4' energy: -64.778
flat angles P-C4'-P energy: -43.913
tors. eta vs tors. theta energy: -74.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -897.208098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.208098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.208098 (E_RNA)
where:
Base-Base interactions energy: -621.754
where: short stacking energy: -258.031
Base-Backbone interact. energy: -1.391
local terms energy: -274.062504
where:
bonds (distance) C4'-P energy: -49.508
bonds (distance) P-C4' energy: -62.363
flat angles C4'-P-C4' energy: -54.692
flat angles P-C4'-P energy: -32.338
tors. eta vs tors. theta energy: -75.161
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: 4, replica: 4
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -900.404679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.404679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.404679 (E_RNA)
where:
Base-Base interactions energy: -647.370
where: short stacking energy: -241.931
Base-Backbone interact. energy: -0.820
local terms energy: -252.214341
where:
bonds (distance) C4'-P energy: -50.414
bonds (distance) P-C4' energy: -44.944
flat angles C4'-P-C4' energy: -55.525
flat angles P-C4'-P energy: -37.836
tors. eta vs tors. theta energy: -63.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -798.645965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.645965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.645965 (E_RNA)
where:
Base-Base interactions energy: -550.299
where: short stacking energy: -229.149
Base-Backbone interact. energy: -0.403
local terms energy: -247.943207
where:
bonds (distance) C4'-P energy: -34.021
bonds (distance) P-C4' energy: -54.058
flat angles C4'-P-C4' energy: -61.637
flat angles P-C4'-P energy: -39.172
tors. eta vs tors. theta energy: -59.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -769.733924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.733924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.733924 (E_RNA)
where:
Base-Base interactions energy: -522.692
where: short stacking energy: -216.700
Base-Backbone interact. energy: -1.088
local terms energy: -245.953658
where:
bonds (distance) C4'-P energy: -50.286
bonds (distance) P-C4' energy: -44.747
flat angles C4'-P-C4' energy: -53.882
flat angles P-C4'-P energy: -35.246
tors. eta vs tors. theta energy: -61.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -704.347457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.347457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.347457 (E_RNA)
where:
Base-Base interactions energy: -474.077
where: short stacking energy: -186.464
Base-Backbone interact. energy: 0.142
local terms energy: -230.413219
where:
bonds (distance) C4'-P energy: -48.964
bonds (distance) P-C4' energy: -53.378
flat angles C4'-P-C4' energy: -50.486
flat angles P-C4'-P energy: -34.317
tors. eta vs tors. theta energy: -43.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -572.446533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.446533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.446533 (E_RNA)
where:
Base-Base interactions energy: -353.392
where: short stacking energy: -164.413
Base-Backbone interact. energy: -0.854
local terms energy: -218.200770
where:
bonds (distance) C4'-P energy: -46.327
bonds (distance) P-C4' energy: -49.049
flat angles C4'-P-C4' energy: -48.512
flat angles P-C4'-P energy: -31.193
tors. eta vs tors. theta energy: -43.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -615.135793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.135793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.135793 (E_RNA)
where:
Base-Base interactions energy: -432.339
where: short stacking energy: -162.140
Base-Backbone interact. energy: -0.259
local terms energy: -182.538334
where:
bonds (distance) C4'-P energy: -41.450
bonds (distance) P-C4' energy: -43.741
flat angles C4'-P-C4' energy: -45.906
flat angles P-C4'-P energy: -21.160
tors. eta vs tors. theta energy: -30.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -385.749304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.749304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.749304 (E_RNA)
where:
Base-Base interactions energy: -238.694
where: short stacking energy: -117.530
Base-Backbone interact. energy: -0.199
local terms energy: -146.856048
where:
bonds (distance) C4'-P energy: -33.780
bonds (distance) P-C4' energy: -44.581
flat angles C4'-P-C4' energy: -37.030
flat angles P-C4'-P energy: -24.941
tors. eta vs tors. theta energy: -6.525
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)
replica 5 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 44264532
moves confirmed later: 48942154
all moves confirmed: 93206686
percent of confirmed moves: 11.650836
current total energy: -910.129727
recalc. total energy: -910.129727
replica 10 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 41409857
moves confirmed later: 45246707
all moves confirmed: 86656564
percent of confirmed moves: 10.832071
current total energy: -918.024057
recalc. total energy: -918.024057
replica 4 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 38477247
moves confirmed later: 41398547
all moves confirmed: 79875794
percent of confirmed moves: 9.984474
current total energy: -840.654020
recalc. total energy: -840.654020
replica 2 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 48949962
moves confirmed later: 55186171
all moves confirmed: 104136133
percent of confirmed moves: 13.017017
current total energy: -807.572155
recalc. total energy: -807.572155
replica 1 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 39505062
moves confirmed later: 42824022
all moves confirmed: 82329084
percent of confirmed moves: 10.291135
current total energy: -761.462880
recalc. total energy: -761.462880
replica 9 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 59560528
moves confirmed later: 69070251
all moves confirmed: 128630779
percent of confirmed moves: 16.078847
current total energy: -679.852902
recalc. total energy: -679.852902
replica 6 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 44615552
moves confirmed later: 49450598
all moves confirmed: 94066150
percent of confirmed moves: 11.758269
current total energy: -612.077273
recalc. total energy: -612.077273
replica 3 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 75493935
moves confirmed later: 89955884
all moves confirmed: 165449819
percent of confirmed moves: 20.681227
current total energy: -534.712735
recalc. total energy: -534.712735
replica 8 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 65603569
moves confirmed later: 77161062
all moves confirmed: 142764631
percent of confirmed moves: 17.845579
current total energy: -504.463043
recalc. total energy: -504.463043
replica 7 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 58185529
moves confirmed later: 67297716
all moves confirmed: 125483245
percent of confirmed moves: 15.685406
current total energy: -231.578422
recalc. total energy: -231.578422
out arg RESULTS//1/Denv4_dominio1_repli-082cf40d_01
Time of doing 8000000 iterations: 14877.152 seconds